0 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C#CCOCCC(=O)O BB32-2922 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.75 CCCCCC[C@@H](N)C(=O)O BB31-8419 [0,1,0,0,0,0|1,0,0]=2 6 B10R0.82 CCC(=O)CCC(C)[N+](=O)[O-] BB31-6784 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 BB31-2185 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.23 O=C(O)C(=O)N1CCCC1 BB53-0905 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.204 N[C@@H](CC1CCC1)C(=O)O BB31-1413 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.291 CN1CCC[C@@]1(C)C(=O)O BB31-9968 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.348 O=C(O)C1CCC=CCC1 BB31-3125 [0,0,0,1,0,0|0,0,2]=3 15 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.363 CC1(C(=O)O)CC=CCC1 BB31-3321 [0,0,0,1,0,0|0,0,2]=3 17 B10R1.363 CC1(C(N)=O)CC=CCC1 BB32-3868 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.363 O=C(O)C1(F)CCOCC1 BB31-0619 [0,0,0,1,0,0|2,0,0]=3 19 B7R0.4 N#CCCCC(=O)O BB31-7795 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.5 CC(CCO)C(N)=O BB31-7816 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.5 NCCC(F)C(=O)O BB31-4428 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [1,1,0,0,0,0|0,0,1]=3 24 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [1,1,0,0,0,0|0,0,0]=2 25 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [1,1,0,0,0,0|0,0,0]=2 26 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [1,1,0,0,0,0|1,0,0]=3 28 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [1,1,0,0,0,0|1,0,0]=3 29 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [1,1,0,0,0,0|0,0,0]=2 30 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.51 C=CCCC(C)(C)C(=O)O BB32-3030 [1,1,0,0,0,0|0,0,2]=4 33 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O BB32-1271 [0,2,0,0,0,0|1,0,1]=4 34 B11R0.42 C=CCCCCC[C@H](N)C(=O)O BB31-7466 [0,2,0,0,0,0|1,0,0]=3 35 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O BB31-2631 [0,2,0,0,0,0|1,0,1]=4 36 B11R0.78 CCCC(CCCCN)C(=O)O BB58-3123 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.3 C[C@@H]1NCCN(C)C1=O BB31-9836 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.3 C[C@H]1NCCN(C)C1=O BB31-9831 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.11 CC(CO)N1CCCC1 BB52-8690 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.11 NC(CO)C1CCCC1 BB32-0727 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.21 OCC1CCN(CC)C1 BB52-8839 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.118 CC1(CO)CCOCC1 BB31-5857 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.118 NC1(CO)CCCCC1 BB32-2688 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,0,0,1,0,0|0,0,0]=2 51 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.163 O=C(O)C1(F)CCNC1 BB31-0905 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.77 CC(CC(=O)O)N1CCCC1 BB52-9690 [0,0,0,1,0,1|1,0,0]=3 67 B11R1.157 CC(=O)CN1CCCC(C)C1 BB52-8402 [0,0,0,1,0,1|2,0,0]=4 68 B11R1.157 CC1CCCN(CC(=O)O)C1 BB52-8379 [0,0,0,1,0,1|1,0,0]=3 69 B11R1.742 CC(=O)CN1CCCCCC1 BB52-8398 [0,0,0,1,0,1|2,0,0]=4 70 B11R1.742 O=C(O)CN1CCCCCC1 BB52-5709 [0,0,0,1,0,1|1,0,0]=3 71 B11R1.928 CC1(CC(=O)O)CCOCC1 BB31-8497 [0,0,0,1,0,1|1,0,0]=3 72 B11R1.35 CC(CN1CCCC1)C(=O)O BB52-9054 [0,1,0,1,0,0|0,0,0]=2 73 B11R1.35 N[C@H](CC1CCCC1)C(=O)O BB31-7316 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.48 CCN1CC(C(=O)O)CC1=O BB52-0175 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.89 CC(C(=O)O)N1CCCC1=O BB52-8554 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.991 COCCCC1(C(=O)O)CC1 BB31-2603 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 BB31-3934 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 BB32-1139 [0,1,0,1,0,0|1,0,0]=3 79 B11R1.266 CCN1CCCC(C(=O)O)C1 BB52-2360 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.3 CCN1CCC(C(=O)O)CC1 BB32-0745 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.3 CCN1CCC(C(=O)O)CC1 BB52-2361 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 BB31-8305 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.853 COC(=O)C1CC(C(=O)O)C1 BB31-0457 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.23 CC1CCCN(C(=O)CBr)C1 BB52-9461 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.23 COC(=O)C1CC(O)CCN1 BB32-1810 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 BB32-0677 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.852 COC(=O)C1CCCNCC1 BB31-2386 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.852 COC(=O)N1CCCNCC1 BB52-9155 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.852 O=C(CBr)N1CCCCCC1 BB52-9361 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.878 COC(=O)C1(O)CCNCC1 BB31-3711 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.878 COC(=O)C1(O)CCOCC1 BB31-0721 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.1074 N#CC1(C(=O)O)CCCCC1 BB32-1253 [0,1,0,1,0,0|0,0,1]=3 93 B11R1.743 O=C(O)C1CC(OC(F)F)C1 BB31-3494 [0,1,0,1,0,0|2,0,0]=4 94 B11R2.1839 O=C(O)C12CCC(CC1)C2 BB32-0510 [0,0,0,2,0,0|0,0,0]=2 95 B11R2.12 O=C1NCC12CCNCC2 BB31-3571 [0,0,0,2,0,0|2,0,0]=4