0 B8R0.1 CCC#CC(=O)OCC X3933 [1,0,0,0,0,0|0,0,2]=3 1 B8R0.1 CCCC(=O)OCSC Y1950 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.4 CC#CCCCCCC 5767AL [1,0,0,0,0,0|1,0,2]=4 3 B8R0.4 CCCC#CCCCC 6656AL [1,0,0,0,0,0|1,0,2]=4 4 B8R0.4 CCCCCC#CCO V0607 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.4 CCCCNCCCC 8015AF [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 CCCC[NH2+]CCCC 8018AF [1,0,0,0,0,0|2,0,1]=4 7 B8R0.4 CCC\C=C\CCCC 6655AL [1,0,0,0,0,0|1,0,1]=3 8 B8R0.4 CCNCCCNCC 0237AA [1,0,0,0,0,0|2,0,1]=4 9 B8R0.6 CCCCCC(=O)SC U833 [1,0,0,0,0,0|0,1,0]=2 10 B8R0.6 CCCCCC(C)CBr Y9914 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.6 CCCCOC(=O)C=O 3194AL [1,0,0,0,0,0|2,0,1]=4 12 B10R0.2 CCCC(=O)CC(=O)CCC 7298AJ [0,1,0,0,0,0|1,0,1]=3 13 B10R0.2 CCOC(=O)CC(C)N=C=S Y8194 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.108 C=CC(=O)CCC(=O)OCC X3763 [0,1,0,0,0,0|0,0,3]=4 15 B10R0.108 CCCC(=O)OCC(O)CO 7802AF [0,1,0,0,0,0|3,0,0]=4 16 B10R0.108 CCOC(=O)CNC(C)CC Q883 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.156 CCCCCC(C)(O)CCC X3629 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.11 CCC[C@H](N)C1CCCC1 8398AH [0,0,0,1,0,0|2,0,1]=4 19 B10R1.11 CCOC(=O)C1CCNC1 1325AC [0,0,0,1,0,0|1,0,0]=2 20 B10R1.11 CCOC(=O)C1CSCN1 U951 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.21 CCCCOB1CCCO1 6241AB [0,0,0,1,0,0|3,0,0]=4 22 B10R1.21 OCCCCC1OCCO1 Y4167 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO 2720AE [0,0,0,1,0,0|1,0,0]=2 24 B10R1.138 CCCC(=O)OCC1CO1 E489 [0,0,0,1,0,0|3,0,0]=4 25 B7R0.3 CCCCC(N)CC 7820AF [2,0,0,0,0,0|1,0,1]=4 26 B7R0.3 CCCOC(=O)CCl U589 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.3 CCCOC(=O)CN 3440AL [2,0,0,0,0,0|2,0,0]=4 28 B7R0.3 CC\C=C\C(=O)OC Y2122 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.3 COC(=O)CCCO 3568AL [2,0,0,0,0,0|1,0,0]=3 30 B7R0.3 C\C=C(/C)CCCC 6098AL [2,0,0,0,0,0|1,0,1]=4 31 B7R0.7 CCCC(=S)OCC R545 [2,0,0,0,0,0|0,1,0]=3 32 B7R0.7 CCCS(=O)CCC 7566AF [2,0,0,0,0,0|2,0,0]=4 33 B7R0.7 CCNC(=O)OCC 7331AF [2,0,0,0,0,0|1,0,0]=3 34 B7R0.7 CCOC(=O)CCN 5625AC [2,0,0,0,0,0|1,0,0]=3 35 B7R0.4 CCCCCC(C)N 5131AF [2,0,0,0,0,0|1,0,1]=4 36 B7R0.4 NOCCCC(=O)O V9806 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 N[C@@H](C)CCCCC Z2154 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.18 CCCOC(=O)OCCC 7800AF [1,1,0,0,0,0|1,0,0]=3 39 B9R0.35 CCCC(O)C(=O)OCC 7801AF [1,1,0,0,0,0|0,0,0]=2 40 B9R0.2 CCCCCCCC(C)O R396 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.45 CCCC#CCCCCC 5748AF [1,1,0,0,0,0|1,0,1]=4 42 B9R0.1 CC(C)CCOC(=O)CS 7799AF [1,1,0,0,0,0|2,0,0]=4 43 B9R0.1 CCC(=O)SCCN(C)C Z3446 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.1 COC(=O)CCCN(C)C Y1182 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [1,1,0,0,0,0|0,0,1]=3 46 B9R0.47 CCCCOC(=O)C(C)=O P531 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.2 CCCCCOC(=O)CC(C)C 5765AF [0,2,0,0,0,0|1,0,0]=3 48 B11R0.5 CCCCC(N)CC(=O)OCC X2051 [0,2,0,0,0,0|0,0,0]=2 49 B11R0.155 CCOC(=O)C(=O)CCCCCl 6835AE [0,2,0,0,0,0|0,0,1]=3 50 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O 3760AH [0,2,0,0,0,0|2,0,0]=4 51 B11R0.141 CCOC(=O)CCC(C)[N+](=O)[O-] 2853AE [0,2,0,0,0,0|2,0,0]=4 52 B9R1.50 S=C1CCCCCCN1 Z3084 [1,0,0,1,0,0|1,1,0]=4 53 B9R1.73 CCOC(=O)C1CNC1 2387AC [1,0,0,1,0,0|1,0,0]=3 54 B9R1.183 CCOC(=O)[C@@H]1O[C@@H]1C O019 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.11 COC(=O)C1=NCCC1 8402AB [1,0,0,1,0,0|1,0,1]=4 56 B9R1.11 COC(=O)C1CCNC1 W9847 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.11 COC(=O)[C@H]1CCCN1 5950AB [1,0,0,1,0,0|1,0,0]=3 58 B9R1.21 CCC1CCC(CC)O1 Z5522 [1,0,0,1,0,0|0,0,2]=4 59 B11R1.16 CCOC(=O)C1CNCCN1 Y4613 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.16 NCCC(=O)N1CCCCC1 5186AD [0,1,0,1,0,0|2,0,0]=4 61 B11R1.199 CCOC(=O)C1CNCC1=O 5664AB [0,1,0,1,0,0|1,0,1]=4 62 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 6807AJ [0,1,0,1,0,0|0,0,0]=2 63 B11R1.289 CCOC(=O)CCN1CCC1 2070AC [0,1,0,1,0,0|0,0,0]=2 64 B11R1.381 CCN1CCCC[C@H](N)C1=O 0583AB [0,1,0,1,0,0|1,0,0]=3 65 B11R2.106 O=C1NCCN2CCCC12 9725AJ [0,0,0,2,0,0|2,0,0]=4 66 B11R2.106 [C@@H]12CCCN1CCNC2=O 9253AJ [0,0,0,2,0,0|2,0,0]=4 67 B11R2.106 [C@H]12CCCN1CCNC2=O 9230AJ [0,0,0,2,0,0|2,0,0]=4 68 B11R2.2 C1=C(C2CCCC2)CCC1 7675AJ [0,0,0,2,0,0|2,0,0]=4 69 B11R2.1 O=C1OC[C@H]2CNCCN12 1095AD [0,0,0,2,0,0|2,0,0]=4 70 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 9219AH [0,0,0,2,0,0|2,0,0]=4