0 B9R0.37 CCCN(C)C(CC)CC AIFCHEM-94569019480 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.21 CCC(CC)C(C)NCCF AIFCHEM-94573188072 [0,1,0,0,0,0|2,0,1]=4 2 B10R0.33 CC#CC(=O)N(CC)CCC AIFCHEM-97159787165 [0,1,0,0,0,0|2,0,1]=4 3 B10R0.33 CC#CC(=O)N(CC)CCF AIFCHEM-97159821121 [0,1,0,0,0,0|2,0,1]=4 4 B10R0.33 CCCN(CC)C(=O)CCO AIFCHEM-100186400104 [0,1,0,0,0,0|3,0,0]=4 5 B10R0.33 CCCN(CC)C(=O)COC AIFCHEM-94954394947 [0,1,0,0,0,0|3,0,0]=4 6 B10R0.33 CCCN(CC)C(=O)CSC AIFCHEM-98578332300 [0,1,0,0,0,0|3,0,0]=4 7 B10R0.33 CCN(CCF)C(=O)CCO AIFCHEM-100186475920 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.33 CCN(CCF)C(=O)COC AIFCHEM-94954459783 [0,1,0,0,0,0|3,0,0]=4 9 B10R0.33 CCN(CCF)C(=O)CSC AIFCHEM-98578394396 [0,1,0,0,0,0|3,0,0]=4 10 B10R0.33 CCNC(CO)C(=O)OCC AIFCHEM-94537421127 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.33 CCN[C@@H](CO)C(=O)OCC AIFCHEM-94537419414 [0,1,0,0,0,0|1,0,0]=2 12 B10R0.33 CCN[C@H](CO)C(=O)OCC AIFCHEM-94537411702 [0,1,0,0,0,0|1,0,0]=2 13 B10R0.38 CCC(CC)C(=O)N(C)CC AIFCHEM-94563270182 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.101 CCN(C(=O)COC)C(C)C AIFCHEM-6102181156 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.101 CCN(C(=O)CSC)C(C)C AIFCHEM-6095906176 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.144 CCC(CC)C(=O)NC(C)C AIFCHEM-94520551710 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.144 COC(OC)C(=O)NC(C)C AIFCHEM-94520550916 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.139 COCC(=O)N1CC[C@@H]1C AIFCHEM-5744895297 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.139 COCC(=O)N1CC[C@H]1C AIFCHEM-6231289902 [0,0,0,1,0,0|3,0,0]=4 20 B10R0.34 CC#CC(=O)NC(CC)CC AIFCHEM-5740047662 [0,0,0,0,0,1|1,0,1]=3 21 B10R0.34 CCC(CC)NC(=O)CSC AIFCHEM-5760689269 [0,0,0,0,0,1|2,0,0]=3 22 B7R0.12 CCNC(CC)CC AIFCHEM-94537423572 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.12 CCNC(CC)CO AIFCHEM-94537427642 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.12 CCN[C@@H](CC)CO AIFCHEM-94537423216 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.12 CCN[C@H](CC)CO AIFCHEM-94537423217 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.8 C#CCNC(=O)C(C)CC AIFCHEM-94588313663 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.8 C#CCNC(=O)[C@@H](C)CC AIFCHEM-6216818554 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.8 C#CCNC(=O)[C@H](C)CC AIFCHEM-94588318063 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.8 CCCNC(=O)C(O)CC AIFCHEM-94521379481 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.8 CCCNC(=O)[C@@H](O)CC AIFCHEM-94521377603 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.8 CCCNC(=O)[C@H](O)CC AIFCHEM-5875554985 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.8 CCOCC(=O)N(C)CC AIFCHEM-6119348986 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.23 CCC(C)C(=O)NC(C)C AIFCHEM-94520543685 [1,1,0,0,0,0|1,0,0]=3 34 B9R0.23 CC[C@@H](C)C(=O)NC(C)C AIFCHEM-94520548085 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.23 CC[C@H](C)C(=O)NC(C)C AIFCHEM-94520545874 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.27 CCN(C)C(=O)C(C)OC AIFCHEM-94563267393 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.27 CCN(C)C(=O)[C@@H](C)OC AIFCHEM-94563265747 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.27 CCN(C)C(=O)[C@H](C)OC AIFCHEM-94563265751 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.35 CCNC(=O)[C@H](C)NCC AIFCHEM-94595326854 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.26 CCC(=O)NC(CC)CC AIFCHEM-94526508989 [1,1,0,0,0,0|2,0,0]=4 41 B11R0.19 CCC(CC)NC(=O)CC(F)F AIFCHEM-5744354348 [0,1,0,0,0,1|2,0,0]=4 42 B11R0.65 CCC(CC)NC(=O)C(C)OC AIFCHEM-5744371517 [0,1,0,0,0,1|2,0,0]=4 43 B11R0.65 CCC(CC)NC(=O)C(O)CC AIFCHEM-5752950258 [0,1,0,0,0,1|1,0,0]=3 44 B11R0.65 CCC(CC)NC(=O)[C@H](C)OC AIFCHEM-5752271056 [0,1,0,0,0,1|2,0,0]=4 45 B11R0.65 CCC(CC)NC(=O)[C@H](O)CC AIFCHEM-5744426579 [0,1,0,0,0,1|1,0,0]=3 46 B11R0.69 CCCCC(=O)N(CC)CCC AIFCHEM-95890018324 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.69 CCCCC(=O)N(CC)CCF AIFCHEM-95890079040 [0,2,0,0,0,0|2,0,0]=4 48 B11R0.69 CCCN(CC)C(=O)CCOC AIFCHEM-100339241236 [0,2,0,0,0,0|2,0,0]=4 49 B11R0.69 CCCN(CC)C(=O)CCSC AIFCHEM-96281894784 [0,2,0,0,0,0|2,0,0]=4 50 B11R0.69 CCCN(CC)C(=O)COCC AIFCHEM-94991353546 [0,2,0,0,0,0|1,0,0]=3 51 B11R0.69 CCCN(CC)C(=O)CSCC AIFCHEM-100211357644 [0,2,0,0,0,0|1,1,0]=4 52 B11R0.69 CCN(CCF)C(=O)CCOC AIFCHEM-100339307332 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.69 CCN(CCF)C(=O)CCSC AIFCHEM-96281976540 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.69 CCOCC(=O)N(CC)CCF AIFCHEM-94991418122 [0,2,0,0,0,0|1,0,0]=3 55 B11R0.69 CCSCC(=O)N(CC)CCF AIFCHEM-100211391600 [0,2,0,0,0,0|1,1,0]=4 56 B11R0.157 CC#CCNC(=O)C(CC)CC AIFCHEM-5720406939 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.171 CCC(CC)C(=O)NCC(=O)C AIFCHEM-6038492102 [0,2,0,0,0,0|1,0,0]=3 58 B11R0.238 C#CCNC(=O)C(CC)C(C)C AIFCHEM-94529007183 [0,2,0,0,0,0|1,0,1]=4 59 B11R0.18 CCC(C)C(=O)N(CC)CCF AIFCHEM-99287220461 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.18 CCCN(CC)C(=O)C(C)CC AIFCHEM-99287156125 [0,2,0,0,0,0|2,0,0]=4 61 B11R0.18 CCCN(CC)C(=O)[C@@H](C)CC AIFCHEM-97867419328 [0,2,0,0,0,0|2,0,0]=4 62 B11R0.18 CCCN(CC)C(=O)[C@H](C)CC AIFCHEM-97170988938 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.18 CC[C@@H](C)C(=O)N(CC)CCF AIFCHEM-97171022894 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.18 CC[C@H](C)C(=O)N(CC)CCF AIFCHEM-97867477484 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.56 CCOC(=O)C(CC)NC(=O)C AIFCHEM-94605354175 [0,2,0,0,0,0|0,0,1]=3 66 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C AIFCHEM-5871708794 [0,2,0,0,0,0|0,0,1]=3 67 B11R0.133 CCCN(CC)C(=O)CC(C)C AIFCHEM-100489157484 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.133 CCCN(CC)C(=O)CC(C)O AIFCHEM-98463844629 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.133 CCCN(CC)C(=O)C[C@@H](C)O AIFCHEM-97245749485 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.133 CCCN(CC)C(=O)C[C@H](C)O AIFCHEM-98103830043 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.133 CCN(CCF)C(=O)CC(C)C AIFCHEM-100489219480 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.133 CCN(CCF)C(=O)CC(C)O AIFCHEM-98463917045 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.133 CCN(CCF)C(=O)C[C@@H](C)O AIFCHEM-97245811861 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.133 CCN(CCF)C(=O)C[C@H](C)O AIFCHEM-98103924419 [0,2,0,0,0,0|2,0,0]=4 75 B11R0.133 CCN[C@@H](CO)C(=O)OC(C)C AIFCHEM-94537420926 [0,2,0,0,0,0|1,0,0]=3 76 B11R0.258 CCN(C)C(=O)C(C)(CC)CC AIFCHEM-6099792288 [0,2,0,0,0,0|1,0,0]=3 77 B11R0.278 CCC(C)C(=O)N(CC)C(C)C AIFCHEM-6095182507 [0,2,0,0,0,0|2,0,0]=4 78 B11R0.278 CC[C@@H](C)C(=O)N(CC)C(C)C AIFCHEM-6170453208 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.278 CC[C@H](C)C(=O)N(CC)C(C)C AIFCHEM-6088281729 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.282 CCC(C(=O)NC(C)C)C(C)C AIFCHEM-94520548101 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.282 CCN(C(=O)CC(C)C)C(C)C AIFCHEM-6170309443 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|2,0,0]=4 83 B11R1.30 COCC(=O)NC1CCCC1 AIFCHEM-94542386780 [0,0,0,1,0,1|2,0,0]=4 84 B11R1.367 CCC(CC)NC(=O)C1CC1 AIFCHEM-5741891316 [0,0,0,1,0,1|1,0,0]=3 85 B11R1.29 O=C(NCCF)C1CCCS1 AIFCHEM-5862506465 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.286 CSCCC(=O)N1CCC1C AIFCHEM-6089482236 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.286 CSCCC(=O)N1CC[C@@H]1C AIFCHEM-5744400565 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.286 CSCCC(=O)N1CC[C@H]1C AIFCHEM-6275504664 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.386 CCC(CC)C(=O)N1CCC1 AIFCHEM-6079248920 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.997 C#CCNC(=O)[C@H]1[C@@H]([C@@H]1C)C AIFCHEM-94588318276 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.1000 CCCNC(=O)C1(CC1)OC AIFCHEM-5853764820 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.763 CCCN(CC)C(=O)C1CC1 AIFCHEM-96994012676 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.763 CCN(CCF)C(=O)C1CC1 AIFCHEM-96994046632 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.295 CCC(O)C(=O)N1CC[C@@H]1C AIFCHEM-5703444393 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.295 CCC(O)C(=O)N1CC[C@H]1C AIFCHEM-6261882362 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.295 CC[C@@H](O)C(=O)N1CCC1C AIFCHEM-6087901762 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.295 CC[C@@H](O)C(=O)N1CC[C@@H]1C AIFCHEM-5752788756 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.295 CC[C@@H](O)C(=O)N1CC[C@H]1C AIFCHEM-6234556767 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.77 CC(C)NC(=O)C1CCCO1 AIFCHEM-94520545766 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.77 CC(C)NC(=O)C1CCOC1 AIFCHEM-94520551927 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 AIFCHEM-94520551652 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.77 CC(C)NC(=O)[C@@H]1CCOC1 AIFCHEM-94520550552 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 AIFCHEM-94520551651 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.77 CC(C)NC(=O)[C@H]1CCOC1 AIFCHEM-94520545757 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.405 CC(C)NC(=O)C1(CC1)CO AIFCHEM-94520549227 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.1277 CC(C)NC(=O)[C@H]1[C@@H]([C@@H]1C)C AIFCHEM-94520548298 [0,1,0,1,0,0|1,0,0]=3 107 B9R0.34 CCOC(=O)CN(C)CC AIFCHEM-94537422442 [1,0,0,0,0,1|1,0,0]=3