0 B7R0.6 CC(=O)CCN(C)C BB55-6125 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)NCC(=O)O BB01-2573 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(C)OCC(=O)O BB55-5141 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.4 CC(=O)NCCN BB20-2208 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CC(C)CCC=O BB58-4980 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.4 CC(C)NCCN BB57-0247 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CC(C)OCCO BB01-5911 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 CCNCC(=O)O BB20-0183 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 CNCCN(C)C BB01-5604 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 O=CNCC(=O)O BB01-7318 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.9 CC(C)CNC(=O)CCl BB53-1221 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.9 COC(=O)CCC(=O)Cl BB57-0253 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 CC(C)C(N)CC(=O)O BB01-4066 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.23 CC(C)NC(=O)C(=O)O BB55-4701 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.29 CC(C)CCC(C)(C)O BB57-6758 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.29 O=C(Cl)CCC(F)(F)F BB57-3743 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.29 O=C(O)CCC(F)(F)F BB55-6264 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.3 CC1=NNC(=O)CC1 BB55-6123 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 CC1CCC(N)CC1 BB55-1073 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.51 NC1CCS(=O)(=O)C1 BB01-4664 [0,0,0,1,0,0|2,0,1]=4 20 B6R0.2 CC(C)=CC(=O)Cl BB20-1413 [0,0,0,0,1,0|1,0,2]=4 21 B6R0.2 CC(C)CB(O)O BB01-8323 [0,0,0,0,1,0|1,0,1]=3 22 B6R0.2 CC(C)CC(C)N BB01-6378 [0,0,0,0,1,0|2,0,1]=4 23 B6R0.2 CC(C)NC(N)=S BB20-1187 [0,0,0,0,1,0|2,1,0]=4 24 B6R0.2 CN(C)CC(N)=S BB58-0525 [0,0,0,0,1,0|2,1,0]=4 25 B8R0.28 O=C(O)CSCC(=O)O BB01-8012 [0,0,0,0,0,1|2,0,1]=4 26 B5R0.1 CC(C)CNN BB58-2806 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CC(C)N=C=O BB58-3549 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CCCC(=N)N BB01-7895 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 CCCN=C=O BB58-3576 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.2 CC(C)CC(N)CO BB20-2191 [1,1,0,0,0,0|0,0,1]=3 31 B7R0.2 CC(C)CC(O)C#N BB58-1314 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.2 CN(C)CC(O)CO BB01-8037 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.2 NCC(O)CC(=O)O BB57-4937 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.3 CC(CO)CCCO BB58-5344 [1,1,0,0,0,0|0,0,1]=3 35 B7R0.3 CCCNC(=O)CCl BB01-5506 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.3 CNC(=O)CCCCl BB58-5055 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.3 CNC(=O)CCCN BB32-0805 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.3 COC(=O)CCCN BB55-8835 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.3 COC(=O)CCSC BB01-5905 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.4 C=C(C)CCCCC BB58-4377 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(=O)CCCCCl BB57-6752 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.4 CC(=O)NCCCBr BB58-5163 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.4 CC(=O)NCCCCl BB58-5165 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.4 CC(C)CCN=C=S BB58-1671 [1,1,0,0,0,0|0,1,1]=4 45 B7R0.4 CC(C)NCCC#N BB01-6620 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.4 CC(C)NCCCN BB01-5385 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.4 CC(C)SCCCN BB01-5320 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.4 CCCCOC(=S)[S-] BB55-6492 [1,1,0,0,0,0|0,2,0]=4 49 B7R0.4 CCOCCC(=O)O BB57-3742 [1,1,0,0,0,0|0,0,0]=2 50 B7R0.4 CNCCCC(=O)O BB58-0143 [1,1,0,0,0,0|0,0,0]=2 51 B7R0.5 CCNC(C)C(N)=O BB58-3590 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.5 NCCC(N)C(=O)O BB57-6108 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.5 O=C(Cl)C(Br)CCBr BB58-1369 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.8 CCCCS(=O)(=O)Cl BB01-8371 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.9 O=C(O)CC(F)(F)F BB55-6262 [0,1,0,0,1,0|2,0,0]=4 56 B9R0.1 CC(C)CCNC(=O)CCl BB53-1230 [0,1,0,0,0,1|1,0,0]=3 57 B9R0.1 CN(C)CCNC(=O)CCl BB20-1607 [0,1,0,0,0,1|2,0,0]=4 58 B9R0.1 COC(=O)CCCC(C)=O BB58-1963 [0,1,0,0,0,1|1,0,1]=4 59 B9R0.7 CC(=O)N(C)CCC(=O)O BB32-3040 [0,1,0,0,0,1|1,0,1]=4 60 B9R0.7 CC(C)C(=O)NCC(=O)O BB58-4050 [0,1,0,0,0,1|0,0,1]=3 61 B9R0.7 CC(C)CNC(=O)C(=O)O BB57-0815 [0,1,0,0,0,1|0,0,1]=3 62 B9R0.7 CC(N)C(=O)NCC(=O)O BB58-5125 [0,1,0,0,0,1|1,0,1]=4 63 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB55-8164 [0,1,0,0,0,1|1,0,0]=3 64 B9R0.53 CC(C)CC(N)CC(=O)O BB57-0289 [0,1,0,0,0,1|0,0,0]=2 65 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] BB57-6001 [0,1,0,0,0,1|1,0,1]=4 66 B9R0.23 COC(=O)C(N)CC(C)C BB58-4604 [0,2,0,0,0,0|0,0,0]=2 67 B9R0.42 CCC(C)NC(=O)C(=O)O BB55-4719 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.43 CCN(CC)CCC(=O)O BB58-0846 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.3 O=C1CCOCC1 BB53-1277 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1CCSCC1 BB53-1260 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.20 CN(C)CC1CO1 BB58-4517 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.20 O=C(O)CC1CC1 BB57-3745 [1,0,0,1,0,0|0,0,0]=2 73 B9R1.35 O=C(O)C1CC(O)CN1 BB57-0232 [0,0,0,1,0,1|1,0,0]=3 74 B9R1.35 O=C1CCC(C(=O)O)C1 BB01-6440 [0,0,0,1,0,1|1,0,1]=4 75 B9R1.66 CC1(C)CC(=O)CCO1 BB53-1741 [0,0,0,1,0,1|1,0,0]=3 76 B9R1.69 CC1CNC(=O)N(C)C1 BB58-3643 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl BB58-0151 [0,1,0,1,0,0|2,0,0]=4 78 B5R0.5 CC(C)C(N)=O BB01-6147 [0,0,0,0,2,0|1,0,0]=3 79 B5R0.5 CC(C)C(N)=S BB01-7896 [0,0,0,0,2,0|1,1,0]=4