0 B8R0.6 COC(=O)CCCCN AC-6343 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 CNCCCCNC AC-7475 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 C#CCNCC(=O)O AC-6385 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 C=CCNCC(=O)O AC-9106 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 NCCCCC(=O)O AC-6337 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 O=C(O)CCCCBr AC-1769 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.5 CCOC(=O)CCCCN AC-6353 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.8 COC(=O)[C@@H](N)CCSC AC-19226 [0,1,0,0,0,0|0,0,0]=1 8 B9R0.8 COC(=O)[C@H](N)CCCN AC-19227 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.8 [C@H](N)(CCSC)C(=O)OC AC-19225 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.24 COC(=O)CCC(=O)CN AC-5302 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.34 CCCC(=O)CC(=O)OC AC-7757 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.1 O=CC1CCC(=O)CC1 AC-13307 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.7 CCC[C@H]1COC(=O)C1 AC-29290 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.11 COC(=O)C1=CCCC1 AC-33816 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.11 COC(=O)C1CC=CC1 AC-589 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.11 COC(=O)C1CCCO1 AC-23577 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.11 COC(=O)C1CCNC1 AC-24325 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.11 COC(=O)C1CCNC1 AC-27727 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.11 [C@@H]1(C(=O)OC)CCCN1 AC-7336 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.21 COC1CCC(OC)O1 AC-15670 [0,0,0,1,0,0|0,1,2]=4 21 B9R1.49 CN1CCCC(=O)CC1 AC-2729 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.50 O=C1CCCCCCN1 AC-22532 [0,0,0,1,0,0|2,0,0]=3 23 B6R0.1 C(Cl)CC(=O)OC AC-16132 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.1 CNCC(=O)OC AC-8684 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.1 COC(=O)CCN AC-22369 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CC(=O)NCCN AC-7474 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 O=C(O)CCCBr AC-6279 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.19 CC[C@H](N)CC(=O)OC AC-27723 [1,1,0,0,0,0|0,0,0]=2 29 B8R0.19 CC[C@H](O)CC(=O)OC AC-26772 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.19 COC(=O)CC(O)CCl AC-5621 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.19 COC(=O)C[C@@H](O)CCl AC-24011 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.19 COC(=O)C[C@@H](O)CO AC-18662 [1,1,0,0,0,0|0,1,0]=3 33 B8R0.5 C#CC[C@@H](N)CC(=O)O AC-22136 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.5 C#CC[C@H](N)CC(=O)O AC-22135 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.5 C=CC[C@@H](N)CC(=O)O AC-22130 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.5 C=CC[C@H](N)CC(=O)O AC-22129 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.44 COC(=O)CC(C)CC(=O)O AC-6489 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O AC-2131 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O AC-6507 [0,2,0,0,0,0|2,0,0]=4 40 B10R0.57 COC(=O)[C@H](N)CCC(N)=O AC-6506 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.59 COC(=O)CCCC(=O)OC AC-357 [0,2,0,0,0,0|0,1,0]=3 42 B10R0.60 COC(=O)CCC[N+](C)(C)C AC-214 [0,2,0,0,0,0|1,0,0]=3 43 B10R0.82 COC(=O)CC[C@H](N)C(=O)O AC-19206 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.1 CCOC(=O)CNCCC#N AC-29487 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.2 CCOC(=O)C[C@H](O)CC#N AC-6759 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.19 CCOC(=O)[C@@H](N)CCCN AC-7490 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.83 COC(=O)[C@@H](N)CCCCN AC-8660 [0,2,0,0,0,0|1,0,0]=3 48 B10R0.46 COC(=O)CC(N)C(=O)OC AC-19190 [0,2,0,0,0,0|0,1,1]=4 49 B8R1.2 COC1CCCNC1 AC-7886 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.1 O=C1CC(CO)CN1 AC-25592 [1,0,0,1,0,0|1,1,0]=4 51 B8R1.1 O=C1C[C@H](CF)CO1 AC-30716 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.3 CN1CCC(=O)CC1 AC-15424 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.38 COC(=O)C1CCN1 AC-23565 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.38 COC(=O)C1CNC1 AC-5894 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.4 CN1CCNC(=O)C1 AC-25624 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.7 CC(=O)C1CCCC1 AC-5229 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.7 O=C(O)C1CC=CC1 AC-6528 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.7 O=C(O)C1CCCN1 AC-24084 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 O=C(O)C1CCNC1 AC-24626 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 O=C(O)C1CCNC1 AC-710 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.7 O=C(O)[C@@H]1CCCN1 AC-11190 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)[C@@H]1CSCN1 AC-9027 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.7 O=C(O)[C@H]1CCCN1 AC-24083 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3416 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3417 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.13 CN(C)C1CCC(=O)CC1 AC-33805 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.14 COC(=O)C1CNC(=O)C1 AC-23464 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AC-14452 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 AC-4514 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 AC-26247 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 AC-31333 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 AC-32545 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 AC-32546 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.11 CCOC(=O)C1CC=CC1 AC-295 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.11 CCOC(=O)[C@@H]1CSCN1 AC-3494 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.11 CCOC(=O)[C@H]1CCCN1 AC-32123 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.15 COC(=O)C1=CCCNC1 AC-34613 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.15 COC(=O)C1CCCCN1 AC-5452 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.15 COC(=O)C1CCCNC1 AC-5453 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.15 COC(=O)C1CCCNC1 AC-7249 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.15 COC(=O)C1CCNCC1 AC-22463 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.15 COC(=O)C1CNCCN1 AC-20396 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.411 COC(=O)C1(C)CCCO1 AC-23580 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.411 COC(=O)C1(N)CCCC1 AC-2278 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.411 COC(=O)C1(N)CCCC1 AC-5711 [0,1,0,1,0,0|1,0,0]=3 87 B10R1.411 COC(=O)[C@]1(C)CCCN1 AC-33233 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.134 COC(=O)CC(=O)C1CC1 AC-300 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.149 COC(=O)C1CCCC1=O AC-974 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.149 COC(=O)C1CCCC1O AC-7020 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.1 CCCN1CCC(=O)CC1 AC-6115 [0,1,0,1,0,0|2,0,0]=4 92 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 AC-26538 [0,0,0,2,0,0|1,0,1]=4 93 B10R2.2 [C@H]12C=CC[C@H]1OC(=O)C2 AC-28169 [0,0,0,2,0,0|1,0,1]=4