0 B9R0.45 NCCCCNCCCN T72522 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.45 NCCOCCOCCO D84703 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.45 NCCSCCSCCN AT25576 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.45 OCCOCCOCCF A10821 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 OCCOCCOCCS C70223 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.4 ClCCCCCCCCl T71360 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.4 NCCCCCCCO AT22494 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.71 NCCCNCCNCCN C11288 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.4 NCCN1CCCCC1=O 71801 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.5 C=CCN1CCC[C@@H]1CN O10189 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.17 OCCC[C@H]1COCCN1 F13510 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.85 NCCN1CCCCCC1 C11320 [0,0,0,1,0,0|2,0,0]=3 12 B7R0.1 C#CCNCCCN AT19978 [2,0,0,0,0,0|1,0,1]=4 13 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.1 COCCNCCO AT12488 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.1 COCCOCCN F50617 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.1 NCCSCCCO AT25557 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.1 NCCSSCCN AT21144 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.1 OCCCNCCO FD7298 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.2 NCCCCCCC(N)=O AC7480 [1,1,0,0,0,0|1,0,1]=4 22 B9R0.5 CCOC(=O)CNCCN FD21627 [1,1,0,0,0,0|1,0,1]=4 23 B11R0.148 CN(C)CCOCCOCCN D84697 [0,2,0,0,0,0|2,0,0]=4 24 B11R0.152 NCCCC[C@H](CN)CCCN 11012 [0,2,0,0,0,0|2,0,0]=4 25 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.8 CCCC1CCNCC1 C75224 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.8 N#CCN1CCNCC1 AT22720 [1,0,0,1,0,0|0,0,2]=4 29 B9R1.8 NCCC1CCNCC1 65278 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.8 NCC[C@H]1CCCCN1 D76613 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 NCC[C@H]1CCCNC1 D76642 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 NCC[C@H]1COCCN1 A50776 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.8 NCC[C@H]1COCCN1 C77968 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.8 OCCN1CCCCO1 72896 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 OCC[C@H]1CNCCN1 27756 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.8 OCC[C@H]1CNCCO1 A50782 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 OCC[C@H]1COCCN1 A50775 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 OCC[C@H]1COCCN1 C78196 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.12 NCCOC1CCCC1 AC3097 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.15 OCC1CCNCC1O 33470 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.4 NCCCCCN1CCCC1 P10096 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.16 CN(CCN)C1CCCCC1 73370 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.135 CN1CCCN(CCN)CC1 77551 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.742 NC(=O)CN1CCCNCC1 D87056 [0,1,0,1,0,0|1,0,1]=4 58 B11R1.203 NCCCN1CCCCCC1 53831 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.203 NCCCN1CCCCCC1 F13153 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.10 NC1CC2CCCCN2C1 F53433 [0,0,0,2,0,0|2,0,0]=4 61 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P16463 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P17732 [0,0,0,2,0,0|2,0,0]=4 63 B11R2.10 O[C@H]1CC2CNCCN2C1 D97009 [0,0,0,2,0,0|2,0,0]=4 64 B11R2.10 O[C@H]1C[C@H]2CNCCN2C1 D96763 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.20 C1CCC2NCCNC2C1 F14030 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.20 C1CCN2CCNC[C@@H]2C1 E72310 [0,0,0,2,0,0|2,0,0]=4 67 B11R2.20 C1CCN2CCNC[C@@H]2C1 W12468 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.20 C1CN2CCOC[C@@H]2CN1 27873 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.20 C1CN2CCOC[C@@H]2CN1 89518 [0,0,0,2,0,0|2,0,0]=4 70 B11R2.20 C1CN2CCOC[C@@H]2CN1 W19631 [0,0,0,2,0,0|2,0,0]=4 71 B11R2.106 N[C@H]1CCCN2CCC[C@@H]12 AT17568 [0,0,0,2,0,0|2,0,0]=4 72 B11R2.18 C1CNC[C@@H]2CCCN2C1 AT11340 [0,0,0,2,0,0|2,0,0]=4 73 B11R2.36 CC1CN2CCCC2CN1 D72843 [0,0,0,2,0,0|2,0,0]=4 74 B11R2.36 C[C@H]1CN2CCC[C@@H]2CN1 AT17565 [0,0,0,2,0,0|2,0,0]=4 75 B11R2.36 C[C@H]1CN2CCC[C@H]2CN1 AT17567 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.60 NC1COC2C(N)COC12 H10386 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.1036 C1CNCCN(C2CC2)C1 AT23968 [0,0,0,2,0,0|2,0,0]=4