0 B10R0.91 C=CCCC(=O)NCCC#C CSC011979618 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [1,0,0,0,0,0|2,0,0]=3 13 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,1,0,0,0,0|0,0,2]=3 14 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,1,0,0,0,0|3,0,0]=4 15 B11R0.46 CCCCNC(=O)NCC(=O)O CSC011205310 [0,1,0,0,0,0|3,0,0]=4 16 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,1,0,0,0,0|2,0,1]=4 17 B11R0.81 CCCCCCC(=O)OCC=C CSC000033353 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,1,0,0,0,0|1,0,2]=4 20 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.29 C=CCNC(=O)C1CCCC1 CSC000160324 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.29 C=CCNC(=O)C1CCCN1 CSC000737588 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,0,0,1,0,0|1,0,2]=4 24 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.6 CCCSCC(=O)OC CSC000151543 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.6 COC(=O)CCCSC CSC011216297 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|0,0,1]=3 29 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|0,0,2]=4 32 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [1,1,0,0,0,0|0,0,1]=3 34 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [1,1,0,0,0,0|0,0,2]=4 35 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [1,1,0,0,0,0|0,0,1]=3 36 B10R0.18 CCC(C)NC(=O)NCC=C CSC000048116 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [1,1,0,0,0,0|2,0,0]=4 38 B12R0.353 CSCC[C@H](N)C(=O)N(C)CC=C CSC013050954 [0,2,0,0,0,0|2,0,0]=4 39 B12R0.453 CCCS(=O)(=O)CC(=O)NCC=C CSC019889680 [0,2,0,0,0,0|2,0,0]=4 40 B12R0.351 CCCCC(CC)C(=O)OCCC CSC011216918 [0,2,0,0,0,0|0,0,2]=4 41 B12R0.255 CCCCCCC(=O)OCC(=C)C CSC020365726 [0,2,0,0,0,0|0,0,0]=2 42 B12R0.255 CSCCCCC(=O)NCC(=O)O CSC019889757 [0,2,0,0,0,0|2,0,0]=4 43 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [0,2,0,0,0,0|0,0,2]=4 44 B12R0.47 CCCCOCC(=O)OCCCC CSC011521784 [0,2,0,0,0,0|0,0,2]=4 45 B12R0.95 CS(=O)CCCNC(=O)NCC=C CSC020366239 [0,2,0,0,0,0|2,0,0]=4 46 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,2,0,0,0,0|0,0,2]=4 47 B12R0.104 CS(=O)(=O)CCCC(=O)NCC=C CSC019713328 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|0,0,1]=3 51 B10R1.180 C=CCNC(=O)NC1CC1 CSC000235201 [1,0,0,1,0,0|2,0,0]=4 52 B12R1.30 C=CCNC(=O)C1CCCCC1 CSC000160308 [0,1,0,1,0,0|1,0,0]=3 53 B12R1.210 NC(=O)CN1CCCCCC1=O CSC000162079 [0,1,0,1,0,0|2,0,0]=4 54 B12R1.35 CCCCNC(=O)c1ccco1 CSC000159049 [0,1,0,1,0,0|1,0,1]=4