0 B7R0.1 CCCNNCCC D79943 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.1 NCCCNCCS W12622 [1,0,0,0,0,0|2,1,0]=4 2 B7R0.1 NCCC\C=C\CO AT22200 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.1 NCCSSCCO C70186 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.1 NOCCOCCO C70226 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.5 CC1CCNCCC1O 73005 [0,0,0,1,0,0|1,0,1]=3 6 B9R1.5 OC1CNCCCC1F 72996 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.8 NCC[C@H]1CNCCO1 AT15449 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 NCC[C@H]1COCCO1 AT10082 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.8 NCC[C@H]1COCCO1 AT10083 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.8 NCC[C@H]1COCCO1 AT10084 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.8 OCC[C@H]1COCCN1 62954 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.14 CC[C@H]1CNC[C@@H]1CO P17771 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.15 CC1NCCCC1CO 72651 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.15 CO[C@H]1CCNC[C@H]1O P15158 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.15 CO[C@H]1CCNC[C@H]1O P15743 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.15 NC[C@H]1CCNC[C@@H]1O P13744 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 N[C@H]1CCCC[C@@H]1CO AT25975 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.15 N[C@H]1CCCC[C@H]1CO AT26297 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.33 COC[C@H]1CNC[C@@H]1O AT26366 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.89 OC[C@H]1CCNCCO1 AT16149 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.6 NNCCCCO AB9420 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.1 CCCC[C@H](N)CCO AT14318 [1,1,0,0,0,0|0,0,1]=3 24 B8R0.1 CCOC(=O)\C=C\CO AT14907 [1,1,0,0,0,0|1,0,1]=4 25 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.2 CC[C@H]1CNCCN1 77623 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 FC[C@H]1CCCCN1 P14250 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 NC[C@H]1CNCCO1 AT21336 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 NC[C@H]1CNCCO1 AT21337 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.2 NC[C@H]1CNCCO1 AT21338 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.2 OCC1=CCCOC1 AT26645 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.2 OC[C@H]1CSCCN1 AT25274 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13194 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13230 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.5 N[C@H]1CCNC[C@@H]1O D76966 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.5 OC1CNCCC1F 72696 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 O[C@H]1CNCC[C@H]1O 39437 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.8 NCC[C@H]1CCCO1 AT11472 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.10 OCCCC1CCC1 F52481 [1,0,0,1,0,0|0,0,1]=3 44 B8R1.10 OCCNC1COC1 E72818 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.10 OCCOC1CCC1 92926 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.11 NC[C@H]1COC[C@@H]1O P15682 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.11 OC[C@H]1CC=C[C@H]1O 52549 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.11 OC[C@H]1CC=C[C@H]1O D77369 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.17 NCCC1CC1CO AT22591 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.22 C[C@H]1CCNCCN1 91998 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.22 C[C@H]1CCNCCN1 91999 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.22 C[C@H]1CCOCCN1 33399 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.22 F[C@H]1CCCCNC1 72488 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.22 F[C@H]1CCCCNC1 AT25232 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.22 F[C@H]1CCCCNC1 AT25234 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 NC1CCC=CCC1 E73311 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.22 OC1CNCCNC1 AT21564 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.22 O[C@H]1CCCCNC1 AT25228 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.22 O[C@H]1CCCCNC1 AT25231 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.22 O[C@H]1CCCNCC1 AT25235 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.22 O[C@H]1CCCNCC1 AT25242 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.22 O[C@H]1CNCCOC1 AT25211 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.22 O[C@H]1CNCCOC1 AT25212 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.22 O[C@H]1CNCCOC1 AT25213 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.22 SC1CCCCCC1 D76599 [1,0,0,1,0,0|0,1,1]=4 69 B10R1.18 C[C@H](O)CN1CCCCC1 AT24869 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.18 C[C@H](O)CN1CCCCC1 AT24870 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.300 CC1CCNCCC1(C)O 73164 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.17 OCCNC1CCNCC1 D76843 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.15 N[C@@H](CO)C1CCCCC1 AC7800 [0,1,0,1,0,0|0,0,2]=4 75 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 D73157 [0,0,0,2,0,0|1,0,1]=4 76 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1C2 AT22813 [0,0,0,2,0,0|0,0,2]=4 77 B10R2.7 C1CC2COCC2CN1 W19168 [0,0,0,2,0,0|1,0,1]=4 78 B10R2.7 C1CC2COCCC2N1 E73408 [0,0,0,2,0,0|1,0,1]=4 79 B10R2.7 C1CC2OCCC2CN1 N10709 [0,0,0,2,0,0|1,0,1]=4 80 B10R2.7 C1C[C@@H]2CCO[C@H]2CN1 W14312 [0,0,0,2,0,0|1,0,1]=4 81 B10R2.7 C1C[C@@H]2COC[C@H]2CN1 W14388 [0,0,0,2,0,0|1,0,1]=4 82 B10R2.7 C1C[C@@H]2OCC[C@@H]2CN1 E72942 [0,0,0,2,0,0|1,0,1]=4 83 B10R2.7 C1C[C@H]2COC[C@H]2CN1 W14313 [0,0,0,2,0,0|1,0,1]=4 84 B10R2.32 O[C@H]1CCN2CCC[C@@H]12 69973 [0,0,0,2,0,0|1,0,1]=4 85 B10R2.32 O[C@H]1CC[C@@H]2CCN[C@H]12 C77459 [0,0,0,2,0,0|1,0,1]=4 86 B10R2.8 OC[C@@H]1NCCC12CC2 57749 [0,0,0,2,0,0|1,0,1]=4 87 B10R2.15 OC1CCNCC12CC2 P17939 [0,0,0,2,0,0|1,0,1]=4 88 B10R2.15 O[C@H]1CCNCC12CC2 AT22551 [0,0,0,2,0,0|1,0,1]=4 89 B10R2.15 O[C@H]1CNCCC12CC2 P12567 [0,0,0,2,0,0|1,0,1]=4 90 B10R2.15 O[C@H]1CNCCC12CC2 P13521 [0,0,0,2,0,0|1,0,1]=4 91 B10R2.15 O[C@H]1CNCCC12CC2 P13524 [0,0,0,2,0,0|1,0,1]=4 92 B10R2.15 O[C@H]1CNCCC12CC2 P13526 [0,0,0,2,0,0|1,0,1]=4 93 B10R2.190 O[C@H]1CNCC12CCC2 AT11709 [0,0,0,2,0,0|1,0,1]=4 94 B10R2.2 OC1CC2=CCC=C2C1 AT20126 [0,0,0,2,0,0|0,0,2]=4 95 B10R2.2 OC1CC2CCCC2C1 AT20124 [0,0,0,2,0,0|0,0,2]=4 96 B10R2.21 O[C@H]1CNC[C@@H]1C2CC2 AT11580 [0,0,0,2,0,0|1,0,1]=4 97 B10R2.21 O[C@H]1CNC[C@@H]1C2CC2 AT11584 [0,0,0,2,0,0|1,0,1]=4