0 B12R1.28 CCCCCC1CCCC(=O)O1 BBL027599 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 NCCCNC1=CC=CC=C1 BBL028019 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.6 N(CCCC)CC1=CC=CC(Cl)=C1 BBL000285 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.6 NCCCNCC1=CC(Cl)=CC=C1 BBL018402 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 BBL027207 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 BBL036247 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.13 ClC1=CC=CC(N2CCCC2)=N1 BBL036903 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.27 CCCCCC1CCC(=O)O1 BBL027520 [0,0,0,0,1,0|0,0,3]=4 15 B11R1.180 CCCCCC1=CCCC1=O BBL009816 [0,0,0,0,1,0|0,0,2]=3 16 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BBL036960 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.1 CCCCOC1=CC=C(N)C=C1 BBL027664 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.1 CCCCOC1=CC=C(O)C=C1 BBL004099 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.8 CCCCNCC1=CC=CC=C1 BBL010686 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.8 CCCCNCC1=CC=CN=C1 BBL000304 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.8 CCCCNCC1=NC=CC=C1 BBL000294 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.8 NCCCNCC1=CC=CC=C1 BBL015584 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.252 CC(C)NCCC1=CC=CC=C1 BBL023458 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.252 N(CC1=CC=CC=C1)CC(C)C BBL022517 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.267 CCCNCC1=CC=CC=C1C BBL000293 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.372 CCCCCCC1=CCCC1=O BBL027923 [0,1,0,0,1,0|0,0,2]=4 32 B14R1.26 CC1=NC(CCCOCCO)=CC=C1 BBL028149 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.228 C(=O)C1=CC=CC(OCCCCC)=C1 BBL036360 [0,2,0,0,0,0|1,0,0]=3 34 B14R1.228 O=CC1=CC=CC(OCCCCBr)=C1 BBL031021 [0,2,0,0,0,0|2,0,0]=4 35 B14R1.899 CCCCOC1=CC=CC(C(=O)Cl)=C1 BBL014172 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.899 CCCCOC1=CC=CC(C(=O)O)=C1 BBL014330 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.386 CCCCN1N=CC=C1C(=O)O BBL040290 [0,0,1,1,0,0|2,0,0]=4 38 B12R2.1081 OC1=C2CCCCC2=CC=C1 BBL025814 [1,0,0,1,0,0|1,0,1]=4 39 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BBL030107 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.21 CC1=CC(C2CCCCN2)=CC=C1 BBL021051 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.21 NC1=CC=CC(N2CCCCC2)=C1 BBL018926 [0,1,0,1,0,0|2,0,0]=4 42 B14R2.716 CC1=CC=CC(CC2CCCN2)=C1 BBL020620 [0,1,0,1,0,0|2,0,0]=4 43 B14R2.716 ClC1=CC(CC2CCCN2)=CC=C1 BBL020619 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.716 NC1=CC=CC(CN2CCCC2)=C1 BBL030222 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 BBL010349 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.16 CCNCC1=CC=C(C)O1 BBL000395 [1,0,0,0,1,0|2,0,0]=4 47 B10R1.21 CNCCCC1=CC=CO1 BBL030347 [1,0,0,0,1,0|1,0,0]=3 48 B10R1.21 OCCNCC1=CC=CO1 BBL000057 [1,0,0,0,1,0|2,0,0]=4