0 B11R1.25 C#CC(=O)NCC1CCCC1 AIFCHEM-94573925864 [0,1,0,0,0,0|2,0,1]=4 1 B11R1.25 C#CC(=O)NC[C@@H]1CCCO1 AIFCHEM-94525196455 [0,1,0,0,0,0|1,0,1]=3 2 B11R1.25 C#CC(=O)NC[C@H]1CCCO1 AIFCHEM-94525201476 [0,1,0,0,0,0|1,0,1]=3 3 B11R1.25 O=C(CO)NCC1CCCC1 AIFCHEM-94532683931 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 AIFCHEM-94532680107 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.25 O=C(CO)NC[C@H]1CCCO1 AIFCHEM-94552583621 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.35 CC(=O)N(C)CC1CCOC1 AIFCHEM-5860426371 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.77 CC(=O)NC(C)C1CCOC1 AIFCHEM-94533168353 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.2 C#CCOCCNC(=O)C AIFCHEM-94535591115 [0,0,1,0,0,0|1,0,2]=4 9 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,0,1,0,0,0|3,0,0]=4 10 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,0,1,0,0,0|3,0,0]=4 11 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,0,1,0,0,0|1,0,0]=2 12 B9R0.2 CCCNCCOC(C)C AIFCHEM-94569022755 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,0,1,0,0,0|3,0,0]=4 14 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,0,1,0,0,0|3,0,0]=4 15 B9R0.48 CCOC(=O)CNC(=O)C AIFCHEM-94605354824 [0,0,1,0,0,0|2,0,1]=4 16 B11R2.845 CC(=O)N1CC2CC1CO2 AIFCHEM-94605357500 [0,0,0,1,0,0|1,0,0]=2 17 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CO2 AIFCHEM-94605351981 [0,0,0,1,0,0|1,0,0]=2 18 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 AIFCHEM-5699598960 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.84 CC(C)NCC1CCC1 AIFCHEM-94520539426 [0,0,0,0,1,0|2,0,1]=4 20 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,0,0,0,0,1|1,0,0]=2 21 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.91 CC(=O)NCC1COCCO1 AIFCHEM-5625727366 [0,0,0,0,0,1|1,0,0]=2 23 B11R1.91 CC(=O)NC[C@@H]1COCCO1 AIFCHEM-94535591864 [0,0,0,0,0,1|1,0,0]=2 24 B11R1.91 CC(=O)NC[C@H]1COCCO1 AIFCHEM-5834331878 [0,0,0,0,0,1|1,0,0]=2 25 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [1,0,1,0,0,0|2,0,0]=4 27 B10R0.4 CC(=O)SCCCNCCO AIFCHEM-94577779442 [0,1,1,0,0,0|0,1,0]=3 28 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,1,1,0,0,0|2,0,0]=4 29 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,1,1,0,0,0|1,0,0]=3 30 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,1,1,0,0,0|2,0,0]=4 31 B10R0.55 CCC(=O)NCCOC(=O)C AIFCHEM-94526504575 [0,1,1,0,0,0|1,0,1]=4 32 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,1,1,0,0,0|2,0,0]=4 33 B10R0.78 CC(=O)NCC(C)NCCO AIFCHEM-6411504762 [0,1,1,0,0,0|2,0,0]=4 34 B10R0.78 CC(=O)OCC(C)NCCF AIFCHEM-94599181147 [0,1,1,0,0,0|2,0,0]=4 35 B10R0.78 CC(=O)OCC(C)NCCO AIFCHEM-94577779797 [0,1,1,0,0,0|1,0,0]=3 36 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [0,1,1,0,0,0|1,0,0]=3 37 B10R0.78 CCCOC(=O)CNC(=O)C AIFCHEM-94602837602 [0,1,1,0,0,0|1,0,1]=4 38 B10R0.45 COC(CNC(=O)CO)OC AIFCHEM-94532680305 [0,1,1,0,0,0|2,0,0]=4 39 B10R0.72 COC(CN(C)C(=O)C)OC AIFCHEM-94605342047 [0,1,1,0,0,0|2,0,0]=4 40 B10R0.108 CCN[C@@H](C)CCC(=O)OC AIFCHEM-94537416264 [0,1,1,0,0,0|2,0,0]=4 41 B10R1.151 O=C(CO)NCC1COC1 AIFCHEM-5895532032 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.21 CC(=O)NCC1CCN(CC1)C AIFCHEM-6103857301 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.27 CCC(=O)NCC1CCCCO1 AIFCHEM-94560329363 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.27 CNC(=O)CNC1CCCOC1 AIFCHEM-94562542416 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.27 O=C(CO)NCC1CCCCO1 AIFCHEM-94560326878 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.27 O=C(CO)NCC1CCCOC1 AIFCHEM-5846554742 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.107 CC(=O)NC(C)C1CCCCC1 AIFCHEM-94605351577 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.107 CC(=O)N[C@@H](C)C1CCCCC1 AIFCHEM-5845656197 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 AIFCHEM-94605354533 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.477 COC(=O)CCNC1CCCC1 AIFCHEM-94541525880 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.1809 CC(=O)NCCC1(OCCO1)C AIFCHEM-5905484672 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.15 CCC(=O)NC(C)C1CCCC1 AIFCHEM-94526502744 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.15 CCC(=O)N[C@H](C)C1CCCC1 AIFCHEM-94526502345 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.51 CC#CC(=O)NC[C@@H]1CCCO1 AIFCHEM-94573419302 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.51 CC#CC(=O)NC[C@H]1CCCO1 AIFCHEM-94552582454 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.51 N#CCC(=O)NCC1CCCC1 AIFCHEM-94559919270 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.51 O=C(CCO)NCC1CCCC1 AIFCHEM-6158955683 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.51 O=C(CCO)NCC1OCCO1 AIFCHEM-5672079547 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 AIFCHEM-94573418588 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.51 O=C(CCO)NC[C@H]1CCCO1 AIFCHEM-5601536774 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.298 CCN(CC1CCCC1)C(=O)C AIFCHEM-94685624212 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.298 CCN(CC1OCCO1)C(=O)C AIFCHEM-98287877697 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.298 CCN(C[C@@H]1CCCO1)C(=O)C AIFCHEM-94685382504 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.298 CCN(C[C@H]1CCCO1)C(=O)C AIFCHEM-99350317749 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [0,0,1,1,0,0|1,0,0]=3 66 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [0,0,1,1,0,0|1,0,0]=3 67 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [0,0,1,1,0,0|1,0,0]=3 68 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [0,0,1,1,0,0|1,0,0]=3 72 B10R1.93 CCNC1CN(C1)C(=O)C AIFCHEM-94543794604 [0,0,1,1,0,0|2,0,0]=4 73 B10R2.99 CCN1CC2CC1CO2 AIFCHEM-94537426942 [1,0,0,1,0,0|1,0,1]=4 74 B10R2.99 CCN1C[C@@H]2C[C@H]1CO2 AIFCHEM-94537420105 [1,0,0,1,0,0|1,0,1]=4 75 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 AIFCHEM-94537423397 [1,0,0,1,0,0|1,0,1]=4 76 B10R2.346 CC(=O)N1CC2CC1C2 AIFCHEM-94605356937 [0,0,0,1,1,0|1,0,0]=3 77 B12R2.1596 C#CC(=O)N1CC2CC1CO2 AIFCHEM-94525203277 [0,1,0,1,0,0|1,0,1]=4 78 B12R2.1596 C#CC(=O)N1C[C@@H]2C[C@H]1CO2 AIFCHEM-94525197758 [0,1,0,1,0,0|1,0,1]=4 79 B12R2.1596 C#CC(=O)N1C[C@H]2C[C@@H]1CO2 AIFCHEM-94525200402 [0,1,0,1,0,0|1,0,1]=4 80 B12R2.3188 CC(=O)N1CC2(C1)CCCO2 AIFCHEM-94605344073 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.34 CC(=O)NC1CSC1 AIFCHEM-94605343235 [0,0,0,0,2,0|2,0,0]=4 82 B10R1.17 CCNCC1COCCO1 AIFCHEM-94537412836 [1,0,0,0,0,1|1,0,1]=4 83 B10R1.17 CCNC[C@@H]1COCCO1 AIFCHEM-94537415915 [1,0,0,0,0,1|1,0,1]=4 84 B10R1.17 CCNC[C@H]1COCCO1 AIFCHEM-94537415916 [1,0,0,0,0,1|1,0,1]=4 85 B12R1.252 CC(=O)NCCC1CCOCC1 AIFCHEM-94605352751 [0,0,0,0,0,2|2,0,0]=4 86 B12R1.252 O=C(O)CCNC1CCCOC1 AIFCHEM-5845927405 [0,0,0,0,0,2|2,0,0]=4 87 B12R1.255 CC(=O)NCCNC1CCCC1 AIFCHEM-94541516921 [0,0,0,0,0,2|2,0,0]=4