0 B7R0.5 CCN[C@H](C)C(C)C AIFCHEM-94576822751 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.2 CCN(C)C(=O)C(C)O AIFCHEM-94540233695 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.2 CCN(C)C(=O)[C@@H](C)O AIFCHEM-6173227947 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.2 CCN(C)C(=O)[C@H](C)O AIFCHEM-6125863709 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.8 CC(C)C(C)NCCO AIFCHEM-94522506272 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.14 CCNC(C)C(C)(C)C AIFCHEM-94537421030 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.14 CCN[C@@H](C)C(C)(C)C AIFCHEM-94537418739 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.14 CCN[C@H](C)C(C)(C)C AIFCHEM-94537420101 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.5 COCC(=O)NC(C)C AIFCHEM-94520550271 [0,0,0,0,0,1|2,0,0]=3 10 B8R0.5 CSCC(=O)NC(C)C AIFCHEM-94520547347 [0,0,0,0,0,1|2,0,0]=3 11 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [1,1,0,0,0,0|2,0,0]=4 12 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [1,1,0,0,0,0|2,0,0]=4 13 B7R0.14 CCN(C)C(C)(C)C AIFCHEM-94537415633 [1,1,0,0,0,0|2,0,0]=4 14 B9R0.4 C/C=C/CC(=O)NC(C)C AIFCHEM-94520545588 [0,1,0,0,0,1|1,0,1]=4 15 B9R0.4 CCC#CC(=O)NC(C)C AIFCHEM-94520550067 [0,1,0,0,0,1|1,0,0]=3 16 B9R0.4 CCSCC(=O)NC(C)C AIFCHEM-94580213217 [0,1,0,0,0,1|0,1,0]=3 17 B9R0.6 CC#CC(=O)N(C)C(C)C AIFCHEM-94547948983 [0,1,0,0,0,1|1,0,1]=4 18 B9R0.23 CC(C)NC(=O)C(O)CO AIFCHEM-94520549115 [0,1,0,0,0,1|2,0,0]=4 19 B9R0.23 CCC(C)C(=O)NC(C)C AIFCHEM-94520543685 [0,1,0,0,0,1|1,0,0]=3 20 B9R0.23 CC[C@@H](C)C(=O)NC(C)C AIFCHEM-94520548085 [0,1,0,0,0,1|1,0,0]=3 21 B9R0.23 CC[C@H](C)C(=O)NC(C)C AIFCHEM-94520545874 [0,1,0,0,0,1|1,0,0]=3 22 B9R0.34 CCOC(=O)CN(C)CC AIFCHEM-94537422442 [0,1,0,0,0,1|1,0,0]=3 23 B9R0.25 CCN(C)C(=O)C(C)(C)C AIFCHEM-94563269469 [0,2,0,0,0,0|1,0,0]=3 24 B9R0.27 CCN(C)C(=O)C(C)C#N AIFCHEM-6125916138 [0,2,0,0,0,0|1,0,1]=4 25 B9R0.27 CCN(C)C(=O)C(C)OC AIFCHEM-94563267393 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.27 CCN(C)C(=O)C(O)CO AIFCHEM-6099889881 [0,2,0,0,0,0|2,0,0]=4 27 B9R0.27 CCN(C)C(=O)[C@@H](C)OC AIFCHEM-94563265747 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.27 CCN(C)C(=O)[C@H](C)OC AIFCHEM-94563265751 [0,2,0,0,0,0|1,0,0]=3 29 B9R0.8 C#CCNC(=O)C(C)CC AIFCHEM-94588313663 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.8 C#CCNC(=O)[C@@H](C)CC AIFCHEM-6216818554 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.8 C#CCNC(=O)[C@H](C)CC AIFCHEM-94588318063 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.8 CCCNC(=O)C(O)CC AIFCHEM-94521379481 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.8 CCCNC(=O)C(O)CO AIFCHEM-94521378500 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.8 CCCNC(=O)[C@@H](O)CC AIFCHEM-94521377603 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.8 CCCNC(=O)[C@H](O)CC AIFCHEM-5875554985 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.8 CCNCC(=O)N(C)OC AIFCHEM-94537423152 [0,2,0,0,0,0|2,0,0]=4 37 B9R0.8 CCOCC(=O)N(C)CC AIFCHEM-6119348986 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.8 O=C(NCCF)C(O)CO AIFCHEM-5871463787 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.35 CCNC(=O)[C@H](C)NCC AIFCHEM-94595326854 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.3 CCCNC(=O)C(C)(C)C AIFCHEM-5853692582 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.47 CC#CCNC(=O)C(C)C AIFCHEM-94545049371 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.47 CC(O)C(=O)NCCC#N AIFCHEM-94571301968 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.47 COCCNC(=O)C(C)C AIFCHEM-94545041132 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.33 CCN[C@@H](C(=O)N)C(C)C AIFCHEM-94537414529 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.33 CCN[C@H](C(=O)N)C(C)C AIFCHEM-94537419939 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.57 CC(O)C(=O)NC(C)(C)C AIFCHEM-94540234829 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C AIFCHEM-94589409350 [0,2,0,0,0,0|2,0,0]=4 48 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C AIFCHEM-94589417374 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.75 CSCC(=O)NC1CC1 AIFCHEM-6145693473 [0,0,0,1,0,1|2,0,0]=4 51 B9R1.100 CCCNC(=O)C1CC1 AIFCHEM-94521375323 [0,1,0,1,0,0|1,0,0]=3 52 B9R0.48 CC(C)CNC(=O)CCO AIFCHEM-94563731697 [0,0,0,0,0,2|2,0,0]=4 53 B9R0.48 CCOC(=O)CNC(=O)C AIFCHEM-94605354824 [0,0,0,0,0,2|1,0,1]=4