0 B9R0.45 BrCCOCCOCCBr S10638 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 C#CCOCCOCCN H11428 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 CCCOCCOCCO D97202 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 OCCOCCOCCBr S10706 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.4 NCCCOCCCO D84663 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.71 NCCCCNCCCCN A11493 [0,1,0,0,0,0|2,0,0]=3 6 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.4 CCCN1CCNC[C@@H]1C Y13533 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.4 C[C@H]1COCCN1CCN F20104 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.4 O=C1CNCCN1CCO F50422 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.85 NCCN1CCCCCC1 52073 [0,0,0,1,0,0|2,0,0]=3 13 B7R0.1 CCCNCCCO AB4057 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.1 CNCCOCCO C70229 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.1 FCCCCCCBr A50948 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.1 NCCCCCCBr D83295 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.1 NCCCCCCS F31196 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.1 NCCCNCCS W12623 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.1 NCCCOCCO W11222 [2,0,0,0,0,0|2,0,0]=4 20 B11R0.3 CNCCCCCCCCNC D93197 [0,2,0,0,0,0|2,0,0]=4 21 B9R1.5 CC1CCCNCC1C 73165 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.8 BrCCC1CCNCC1 AC8208 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.8 BrCCN1CCCCC1 O10261 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.8 BrCCN1CCCCO1 72888 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.8 C#CCN1CCNCC1 T72562 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.8 CCCN1CCOCC1 A12323 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.8 ClCCC1CCNCC1 AC3007 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.8 FCCN1CCNCC1 27667 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.8 N#CC[C@H]1CNCCN1 P18202 [1,0,0,1,0,0|0,0,2]=4 31 B9R1.8 N#CC[C@H]1CNCCN1 P19845 [1,0,0,1,0,0|0,0,2]=4 32 B9R1.8 NCCC1CCCCC1 24486 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.8 NCCC1CCCCC1 55664 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 NCCC1CCOCC1 71435 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 NCCC1CCSCC1 AC3550 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 NCCN1CCCCO1 72735 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.8 OCCN1CCSCC1 O10852 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 OCC[C@H]1CCCCN1 62347 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 OCC[C@H]1CCCCN1 88407 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 OCC[C@H]1CCCCN1 F30243 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 OCC[C@H]1CCCNC1 W17542 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 OCC[C@H]1CNCCN1 27755 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.8 OCC[C@H]1CNCCO1 F13466 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.15 CC1CCCCC1CN 72191 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.15 CC1CCCNC1CO 72650 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.15 CCN1CCNCC1=O W18927 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.15 CCN1CCNC[C@@H]1C Y13519 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.15 OCC1CCNCC1O 72831 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.89 CCN1CCCCCC1 A11156 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.89 CCN1CCCNCC1 I11453 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.103 C1CCCCNCCC1 T72630 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.103 C1CNCCNCCN1 H10640 [1,0,0,1,0,0|0,0,0]=2 58 B11R1.4 NCCCCCN1CCCC1 C73117 [0,1,0,1,0,0|2,0,0]=4 59 B11R2.10 F[C@H]1C[C@H]2CNCCN2C1 D79636 [0,0,0,2,0,0|2,0,0]=4 60 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 88787 [0,0,0,2,0,0|2,0,0]=4 61 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 D96762 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P17116 [0,0,0,2,0,0|2,0,0]=4 63 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P17288 [0,0,0,2,0,0|2,0,0]=4 64 B11R2.20 C1CCN2CCNC[C@@H]2C1 59834 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.20 C1CCN2CCNC[C@@H]2C1 P15851 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.20 C1CCN2CCNC[C@@H]2C1 P19068 [0,0,0,2,0,0|2,0,0]=4 67 B11R2.20 C1CN2CCOC[C@@H]2CN1 39084 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.20 C1CN2CCOC[C@@H]2CN1 CS3384 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.20 C1CN2CCOC[C@@H]2CN1 CS3387 [0,0,0,2,0,0|2,0,0]=4 70 B11R2.20 C1CN[C@H]2CCCN[C@H]2C1 P15838 [0,0,0,2,0,0|2,0,0]=4 71 B11R2.402 C[C@@]12CCCN1CCNC2 P17461 [0,0,0,2,0,0|2,0,0]=4 72 B11R2.18 C1CNC[C@@H]2CCCN2C1 P10772 [0,0,0,2,0,0|2,0,0]=4 73 B11R2.36 CC1CN2CCCC2CN1 P19761 [0,0,0,2,0,0|2,0,0]=4 74 B11R2.1098 NCC12CCCN1CCC2 60099 [0,0,0,2,0,0|2,0,0]=4 75 B11R2.1098 NCC12CCCN1CCC2 P11629 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.1098 NCC12CCCN1CCC2 P15495 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.1261 C1CCC2(C1)CNCCN2 64285 [0,0,0,2,0,0|2,0,0]=4