0 B11R0.81 CCCCCCC(=O)OCC=C CSC000033353 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,0,0,0,0,0|0,0,1]=2 4 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,0,0,0,0,0|1,0,2]=4 7 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,0,0,0,0,0|0,0,0]=1 9 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,0,0,0,0,0|0,0,2]=3 10 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [1,0,0,0,0,0|2,0,0]=3 11 B12R0.47 CCCCOCC(=O)OCCCC CSC011521784 [0,1,0,0,0,0|1,0,2]=4 12 B12R0.95 CS(=O)CCCNC(=O)NCC=C CSC020366239 [0,1,0,0,0,0|3,0,0]=4 13 B12R0.206 CCCCSCCC(=O)NCCN CSC057563660 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.255 CCCCCCC(=O)OCC(=C)C CSC020365726 [0,1,0,0,0,0|0,0,0]=1 15 B12R0.255 CSCCCCC(=O)NCC(=O)O CSC019889757 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.30 C=CCNC(=O)C1CCCCC1 CSC000160308 [0,0,0,1,0,0|1,0,0]=2 17 B12R1.30 CCCNC(=O)C1CCCCC1 CSC000161726 [0,0,0,1,0,0|1,0,2]=4 18 B12R1.30 OCCNC(=O)C1CCCCC1 CSC000158902 [0,0,0,1,0,0|2,0,1]=4 19 B9R0.5 CCCCCC(=O)OCC CSC000170156 [2,0,0,0,0,0|0,0,1]=3 20 B9R0.46 CCCCCCC(=O)NN CSC011221127 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.46 CCCCCCC(=O)OC CSC011215249 [2,0,0,0,0,0|0,0,0]=2 22 B9R0.46 CCCCCNC(=O)CC CSC000157985 [2,0,0,0,0,0|1,0,1]=4 23 B9R0.46 CCCCCOC(=O)CC CSC000031694 [2,0,0,0,0,0|1,0,1]=4 24 B9R0.18 CCCCC(=O)OCCC CSC000169915 [2,0,0,0,0,0|0,0,2]=4 25 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [2,0,0,0,0,0|2,0,0]=4 26 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [1,1,0,0,0,0|0,0,2]=4 27 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [1,1,0,0,0,0|0,0,1]=3 28 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [1,1,0,0,0,0|0,0,2]=4 29 B13R0.66 COCCNCCNC(=O)CCC=C CSC013141305 [0,2,0,0,0,0|2,0,0]=4 30 B13R0.154 CCCCCCCC(=O)OCC(C)O CSC010286083 [0,2,0,0,0,0|0,0,2]=4 31 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,2,0,0,0,0|2,0,0]=4 32 B13R0.154 CCCCSCCC(=O)NCC(=O)O CSC012904602 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.4 CCCCNCc1ccco1 CSC000200681 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.16 CCNC(=O)C1CCCCC1 CSC000160126 [1,0,0,1,0,0|1,0,1]=4 35 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [1,0,0,1,0,0|1,0,1]=4 36 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [1,0,0,1,0,0|1,0,1]=4 37 B11R1.29 C=CCNC(=O)C1CCCC1 CSC000160324 [1,0,0,1,0,0|1,0,0]=3 38 B11R1.29 C=CCNC(=O)C1CCCN1 CSC000737588 [1,0,0,1,0,0|2,0,0]=4 39 B13R1.48 CCCCCNC(=O)c1ccco1 CSC000157983 [0,1,0,1,0,0|1,0,1]=4 40 B13R1.17 CN1CCC(CC1)C(=O)NCC=C CSC016055100 [0,1,0,1,0,0|2,0,0]=4 41 B13R1.44 C=CCNC(=O)CC1CCCCC1 CSC000160386 [0,1,0,1,0,0|1,0,0]=3 42 B13R1.44 C=CCNC(=O)CC1CSCCN1 CSC012481291 [0,1,0,1,0,0|2,0,0]=4 43 B13R1.44 C=CCNC(=O)NC1CCCCC1 CSC000178627 [0,1,0,1,0,0|1,0,0]=3 44 B13R1.44 CCCOC(=O)NC1CCCCC1 CSC000178457 [0,1,0,1,0,0|0,0,2]=4