0 B9R0.45 BrCCCCCCCCBr AMY11217 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 CCCCCCCCC=O AMY15728 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.45 NCCCOCCCCO AMY21928 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 NCCOCCOCCO AMY4573 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 OCCCCCCCCCl AM62618 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 OCCNCCNCCO AM20100148 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 OCCOCCOCCBr AMY4497 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.45 OCCOCCOCCO AMY375 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 OCCSCCSCCO AMY25705 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 BrCCCCCCCBr AMY11216 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 CCCCCCCCBr AMY9377 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 CCCCCCCCN AMY21876 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 CCCCNCCCC AM20100543 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.4 CCCCNCCCC AMY21922 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CCCCOCCCC AMY14888 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 CCCCOCCCC AMY30969 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCOCCCN AMY21912 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCNCCCNCC AM20070653 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 COCCNCCCO AMY15137 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.4 NCCCCCCCO AMY18876 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.4 NCCCCNCCO AMY30916 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.4 OCCCCCCCBr AM20070667 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.4 OCCCCCCCO AMY22642 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.4 OCCCNCCCO AMY202100020 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.1 CCOC(=O)CCCCCBr AMY18076 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.1 CCOC(=O)CCCCCO AMY38458 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.4 CC(C)CCCCCCCO AM20120580 [0,1,0,0,0,0|0,0,2]=3 27 B10R0.4 CCCCCCCCB(O)O AMY30008 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.4 CCCCCCOCC(=O)O AMY3242 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.71 BrCCCCCCCCCBr AM20100162 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.71 C=C\C=C\CCCCCCO AMY32027 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.71 CCCCCCCCCCN AMY21843 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.71 ClCCCCCCCCCCl AM20100798 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.71 OCCCCCCCCCBr AMY4021 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.71 OCCCCCCCCCO AMY22342 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.91 CCCC[C@H](O)COCCO AMY33452 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.5 CCCN1C=NC=C1CO AMY14349 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.17 CCCCC1CCNCC1 AM20090599 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.17 CCCCC1CCNCC1 AM807077 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.17 NCCCC1CCCCC1 AMY23927 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.17 NCCOC1CCCCC1 AMY20121 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.17 OCCCC1=CCC=CC1 AM804450 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.17 OCCCC1CCNCC1 AM100294 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.17 OCCCC1CCNCC1 AMY34788 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.17 OCCNC1CCOCC1 AMY6146 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.17 OCCO[C@@H]1CCCCO1 AMY202100048 [0,0,0,1,0,0|2,0,1]=4 48 B10R1.20 OC[C@@H]1CCCC[C@H]1CO AMY5218 [0,0,0,1,0,0|1,0,2]=4 49 B10R1.78 Cl[C@H]1CCCCCCCN1 AMY32707 [0,0,0,1,0,0|2,0,1]=4 50 B7R0.1 BrCCCCCCBr AMY11215 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 C#CCCCCCC AMY25742 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.1 C=CCCCCC=C AMY22303 [2,0,0,0,0,0|0,0,2]=4 53 B7R0.1 C=CCCCCC=O AMY2455 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.1 C=CCCCCCCl AM85971 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.1 C=CCCCCCO AMY7500 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.1 C=CCCCCNC AMY41147 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.1 CNCCCCNC AMY13612 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.1 ClCCCCCCCl AM84762 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.1 NCCCCCCO AMY18359 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.1 NCCCCCCS AMY32225 [2,0,0,0,0,0|1,1,0]=4 61 B7R0.1 OCCCCCCBr AMY2822 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.1 OCCCCCCCl AMY25606 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.1 OCCCNCCO AMY15136 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 OCCCOCCCl AM806608 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.2 CC(C)CCCCCC=O AM20120578 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [1,1,0,0,0,0|0,0,2]=4 67 B9R0.2 CCCCCCOC(=O)Cl AMY4168 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.2 NCCCCCCC(=O)O AM20120334 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.2 O=C(O)CCCCCCBr AMY10966 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.2 O=C(O)CCCCCCO AM20090595 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.18 CCCCC(O)CCCC AMY19319 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.46 CCCCCCC(=O)NO AM806754 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.46 COC(=O)CCCCCBr AMY17985 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.46 COC(=O)CCCCCN AM20090125 [1,1,0,0,0,0|2,0,0]=4 75 B11R0.4 CCCCCCOC(=O)CC#N AMY3820 [0,2,0,0,0,0|2,0,0]=4 76 B11R0.4 CCOC(=O)CCCCCCN AM20090397 [0,2,0,0,0,0|2,0,0]=4 77 B11R0.4 CCOC(=O)CCCCCCN AM82451 [0,2,0,0,0,0|2,0,0]=4 78 B11R0.4 CCOC(=O)CCCCCCO AM20130051 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.155 CC\C=C(/C)[C@@H](O)CCCCC AM806735 [0,2,0,0,0,0|1,0,0]=3 80 B11R0.40 CCCCCCCCC(=O)NO AM806756 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.148 CC(C)CCCCCCCCO AM20120577 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.3 C#CCCCCCCCCCO AMY25626 [0,2,0,0,0,0|0,0,2]=4 83 B11R0.3 C=CCCCCCCCCCO AMY5942 [0,2,0,0,0,0|0,0,2]=4 84 B11R0.3 CCCCCCCCCCCO AMY5947 [0,2,0,0,0,0|0,0,2]=4 85 B9R1.8 CCNC1CCCCC1 AM20070548 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.8 CNCC1CCCCC1 AM803595 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.8 NCCC1CCCCC1 AMY38665 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.8 O=CCC1CCCCC1 AMY24044 [1,0,0,1,0,0|0,0,2]=4 89 B9R1.8 OCCC1CCOCC1 AM100846 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.8 OCCN1CCCCC1 AMY9422 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.12 CCCCC1=CCC=C1 AMY2875 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.12 N#C\C=C\C1CCCC1 AMY1240 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.12 OCCCN1CCCC1 AMY38662 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.15 CCC1CCCCC1O AM20070485 [1,0,0,1,0,0|0,0,1]=3 102 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.17 OCCCCC1COC1 AMY32111 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.50 NC1CCCCCCC1 AMY14314 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.50 O=C1CCCCCCC1 AMY3996 [1,0,0,1,0,0|0,0,2]=4 108 B9R1.50 O=C1CCCCCCN1 AM20100621 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.50 OC1CCCCCCC1 AMY39481 [1,0,0,1,0,0|0,0,1]=3 110 B9R1.89 O=CC1CCCCCC1 AMY21681 [1,0,0,1,0,0|0,0,2]=4 111 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [1,0,0,1,0,0|1,0,1]=4 112 B11R1.4 CCCCCCC1=CSC=C1 AM84585 [0,1,0,1,0,0|0,1,1]=4 113 B11R1.180 CN1CCC[C@@H]1CNCCO AM90465 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.180 CN1CCC[C@@H]1CNCCO AM95592 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.180 CN1CCC[C@@H]1COCCO AM93497 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.109 COC[C@H]1CCCN1CCO AM100743 [0,1,0,1,0,0|1,0,1]=4 117 B11R1.109 COC[C@H]1CCCN1CCO AM92845 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.40 O=C(CCl)OC1CCCCC1 AM804247 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.214 CCCCC1=NC=C(CO)N1 AMY11458 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.20 C1COC2CNCCC2C1 AM806432 [0,0,0,2,0,0|1,0,1]=4 121 B11R2.20 C1CO[C@H]2CNCC[C@@H]2C1 AM806430 [0,0,0,2,0,0|1,0,1]=4 122 B11R2.1261 C1=CC[C@@]2(CC1)CCCO2 AM804449 [0,0,0,2,0,0|2,0,0]=4