0 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|2,0,0]=3 5 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,1,0,0,0,0|3,0,0]=4 6 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,1,0,0,0,0|0,0,3]=4 7 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|0,0,2]=3 9 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|0,0,2]=3 10 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.74 CCC=CCCOC(=O)CC CSC020656764 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.97 CC(=O)OCCCOC(=O)C CSC000018353 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,0,0,1,0,0|0,0,2]=3 21 B10R1.18 NC(=O)CN1CCC=CC1 CSC000111594 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,0,0,1,0,0|1,0,1]=3 32 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,0,0,1,0,0|1,0,2]=4 33 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [1,1,0,0,0,0|0,0,1]=3 36 B9R0.55 CC(=O)NCCOC(=O)C CSC000007063 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.55 CC(=O)OCCOC(=O)C CSC000024196 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.55 CC(C)OCCOC(=O)C CSC000006670 [1,1,0,0,0,0|1,0,0]=3 39 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|0,0,2]=4 40 B11R0.42 CCCCCCOC(=O)C(C)C CSC000047476 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|0,0,2]=4 42 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|1,0,1]=4 43 B11R0.106 CCC(=O)NCCNC(=O)NC CSC016462920 [0,2,0,0,0,0|2,0,0]=4 44 B11R0.106 CCC(=O)OCCOC(=O)CC CSC009881842 [0,2,0,0,0,0|1,0,0]=3 45 B11R0.4 CCCC(=O)OCCC=CCC CSC020647322 [0,2,0,0,0,0|0,0,0]=2 46 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [0,2,0,0,0,0|0,0,2]=4 47 B11R0.164 CCCCC(CC)COC(=O)C CSC000031748 [0,2,0,0,0,0|0,0,2]=4 48 B9R1.6 CC(=O)N1CCSCC1 CSC011323056 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.13 CC(=O)NC1CCSC1 CSC012483018 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,1,0,1,0,0|0,0,2]=4 52 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|0,0,2]=4 53 B11R1.23 CCC(=O)N1CCNC(=O)C1 CSC000158427 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.159 CC1N(CCNC1=O)C(=O)C CSC011855486 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.25 CCC(=O)OCC1CCCO1 CSC000006213 [0,1,0,1,0,0|1,0,1]=4 56 B11R1.40 C=CC(=O)NC1CCC=CC1 CSC012324304 [0,1,0,1,0,0|1,0,1]=4