0 B10R0.71 C#CCCOCCOCCO E72563 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 COCCOCCOCCCO C70432 [0,1,0,0,0,0|2,0,0]=3 2 B11R0.3 COCCOCCOCCON C70680 [0,1,0,0,0,0|3,0,0]=4 3 B11R0.148 CC(C)OCCCOCCCO D75524 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.28 N#CCCCC1CCNCC1 E70278 [0,0,0,1,0,0|2,0,1]=4 5 B11R1.28 OCCCC[C@H]1CCCNC1 AC2720 [0,0,0,1,0,0|1,0,0]=2 6 B11R1.180 CCCCCN1CCCC1=O 65138 [0,0,0,1,0,0|1,0,2]=4 7 B11R1.203 CNCCN1CCCCCC1 AC9513 [0,0,0,1,0,0|3,0,0]=4 8 B12R0.1 CCOC(=O)COCCCCCO AT19860 [0,2,0,0,0,0|1,0,1]=4 9 B12R0.5 C#CCCCCCCCCCCN D76999 [0,2,0,0,0,0|1,0,0]=3 10 B12R0.5 OCCOCCNCCOCCO C70248 [0,2,0,0,0,0|2,0,0]=4 11 B12R0.119 [2H]C([2H])([2H])CCCCCCCCBr D98291 [0,2,0,0,0,0|2,0,0]=4 12 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [1,0,0,1,0,0|1,0,0]=3 13 B10R1.17 NCCO[C@@H]1CCCCO1 D86038 [1,0,0,1,0,0|2,0,0]=4 14 B10R1.17 OCCNC1CCNCC1 D76843 [1,0,0,1,0,0|2,0,0]=4 15 B10R1.21 BrCCCCN1CCCC1 AC4987 [1,0,0,1,0,0|2,0,0]=4 16 B12R1.550 C1CNCCCNCCCNC1 D77670 [0,1,0,1,0,0|2,0,0]=4 17 B12R1.27 OC[C@H](O)COC1CCNCC1 E10272 [0,1,0,1,0,0|2,0,0]=4 18 B12R1.371 COC(=O)CC1CCCCC1O AT25971 [0,1,0,1,0,0|1,0,1]=4 19 B12R1.252 O=C(O)CCC[C@H]1CCCNC1 AT26065 [0,1,0,1,0,0|1,0,1]=4 20 B12R2.2 C1CN[C@H](C2CCOCC2)C1 E72819 [0,0,0,2,0,0|2,0,0]=4 21 B12R2.315 CCC1NCCN2CCCC12 D72835 [0,0,0,2,0,0|2,0,0]=4 22 B12R2.1041 O[C@@H]1C[C@H]2CNCCCN2C1 AT11339 [0,0,0,2,0,0|2,0,0]=4 23 B12R2.24 OC1CCN2CCNCC2C1 AT18737 [0,0,0,2,0,0|2,0,0]=4 24 B12R2.1081 CN1CCCC2NCCCC21 P12829 [0,0,0,2,0,0|2,0,0]=4 25 B12R2.1081 NC1CCCC2CCCCC12 W19620 [0,0,0,2,0,0|1,0,0]=3 26 B12R2.1081 O[C@@H]1CCC[C@@H]2NCCN[C@@H]21 89459 [0,0,0,2,0,0|2,0,0]=4 27 B12R2.1081 O[C@@H]1CCC[C@@H]2NCCN[C@@H]21 89462 [0,0,0,2,0,0|2,0,0]=4 28 B12R2.44 CCC1CN2CCCC2CN1 D72854 [0,0,0,2,0,0|2,0,0]=4 29 B12R2.44 NCC1CN2CCCC2CO1 D76628 [0,0,0,2,0,0|2,0,0]=4 30 B12R2.44 OCC1CN2CCCC2CN1 D72839 [0,0,0,2,0,0|2,0,0]=4 31 B12R2.44 OC[C@H]1CN2CCC[C@H]2CN1 E73184 [0,0,0,2,0,0|2,0,0]=4 32 B12R2.8 NC1CCCC12CCCCO2 E73148 [0,0,0,2,0,0|1,0,0]=3 33 B12R2.8 N[C@H]1CCCC12CCCCC2 D73444 [0,0,0,2,0,0|1,0,0]=3 34 B12R2.8 N[C@H]1CCCC12CCNCC2 P20092 [0,0,0,2,0,0|2,0,0]=4 35 B12R2.11 NC1CC1OC2CCCCO2 P11983 [0,0,0,2,0,0|2,0,0]=4 36 B12R2.16 OCC[C@H]1CC12CCNCC2 W14023 [0,0,0,2,0,0|1,0,0]=3 37 B12R2.16 OCC[C@H]1CC12CCNCC2 W19597 [0,0,0,2,0,0|1,0,0]=3 38 B12R2.27 NC[C@H]1C[C@@H]1C2CCOCC2 E73180 [0,0,0,2,0,0|2,0,0]=4 39 B12R2.35 NC[C@H]1CCC12CCOCC2 D73477 [0,0,0,2,0,0|2,0,0]=4 40 B12R2.4370 C1CC2(CCN1)COCCO2 E73275 [0,0,0,2,0,0|2,0,0]=4 41 B12R2.4370 C1CNC[C@@]2(C1)COCCO2 E73369 [0,0,0,2,0,0|2,0,0]=4 42 B12R2.165 OCCC1[C@@H]2CC[C@H]1CNC2 P16167 [0,0,0,2,0,0|1,0,0]=3 43 B12R2.259 NCCN1CCCCC12CC2 AT15674 [0,0,0,2,0,0|2,0,0]=4 44 B12R2.4839 OC[C@@H]1[C@H]2CCC#CCC[C@H]21 AT22142 [0,0,0,2,0,0|0,0,2]=4