0 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [1,0,0,0,0,0|3,0,0]=4 1 B12R1.32 O=C(OCC)CC1=NC=CC=C1 M10047179P [1,0,0,0,0,0|2,0,0]=3 2 B12R1.32 O=C(OCC)CC1=NC=NC=C1 M11120451P [1,0,0,0,0,0|3,0,0]=4 3 B14R1.337 CC(CC(NC1=CC=CC=C1Cl)=O)=O M10002244P [0,1,0,0,0,0|2,0,1]=4 4 B14R1.433 O=C(OC(C)(C)C)NC1=CC=CN=C1 M10290115P [0,1,0,0,0,0|3,0,0]=4 5 B14R1.698 CC(CC(NC1=CC=C(C)C=C1)=O)=O M10043589P [0,1,0,0,0,0|2,0,1]=4 6 B14R1.698 CC(CC(NC1=CC=C(Cl)C=C1)=O)=O M10002943P [0,1,0,0,0,0|2,0,1]=4 7 B14R1.5978 O=C(OC(C)C)NC1=CC=CC(Cl)=C1 M10171049P [0,1,0,0,0,0|2,0,0]=3 8 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C M10040845P [0,0,0,0,1,0|1,0,2]=4 9 B12R1.43 O=C(NC1=CC=CC=C1)N(C)C M10002902P [0,0,0,0,1,0|2,0,0]=3 10 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,0,0,0,1,0|2,0,1]=4 11 B12R1.107 CN(C[C@@H](N)C1=CC=CC=C1)C M10942923P [0,0,0,0,1,0|2,0,1]=4 12 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,0,0,0,0,1|1,0,1]=3 13 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,0,0,0,0,1|1,0,1]=3 14 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,0,0,0,0,1|1,0,1]=3 15 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [2,0,0,0,0,0|1,0,1]=4 16 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [2,0,0,0,0,0|2,0,0]=4 17 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [2,0,0,0,0,0|2,0,0]=4 18 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [2,0,0,0,0,0|2,0,0]=4 19 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [2,0,0,0,0,0|0,0,0]=2 20 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [2,0,0,0,0,0|2,0,0]=4 21 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [2,0,0,0,0,0|2,0,0]=4 22 B13R1.19 O=C(OCC)CC1=CC=C(Cl)C=C1 M10128477P [1,1,0,0,0,0|1,0,0]=3 23 B13R1.20 O=C(OCC)CC1=CC=CC(Cl)=C1 M10128481P [1,1,0,0,0,0|1,0,0]=3 24 B13R1.47 O=C(OCC)C(Br)C1=CC=CC=C1 M10048625P [1,1,0,0,0,0|1,0,0]=3 25 B13R1.470 O=C(OCC)CC1=CC=CC=C1Cl M10241509P [1,1,0,0,0,0|1,0,0]=3 26 B13R1.45 CC(C)CCC(C1=CC=CC=C1)=O M10034528P [1,1,0,0,0,0|0,0,2]=4 27 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M12277792P [1,1,0,0,0,0|1,0,0]=3 28 B13R1.718 OCC(O)COCC1=CC=CC=C1 M10192332P [1,1,0,0,0,0|2,0,0]=4 29 B13R1.353 CC(C)(C)C(NC1=CC=CN=C1)=O M10437930P [0,1,0,0,1,0|2,0,0]=4 30 B13R1.353 CC(C)(C)C(NC1=CC=NC=C1)=O M10437931P [0,1,0,0,1,0|2,0,0]=4 31 B13R1.353 CC(C)(C)C(NC1=NC=CC=C1)=O M10508890P [0,1,0,0,1,0|2,0,0]=4 32 B13R1.201 O=C(OC(C)C)C1=CC=CC=C1N M10153885P [0,1,0,0,1,0|1,0,0]=3 33 B13R1.713 O=C\C(C1=CC=CC=C1)=C\C(C)C M10194762P [0,1,0,0,1,0|0,0,1]=3 34 B15R1.741 O=C(OC)CC(OCC1=CC=CC=C1)=O M10264422P [0,1,0,0,0,1|1,0,1]=4 35 B15R1.3465 O=C(OC(C)(C)C)NCC1=CC=NC=C1 M10676940P [0,1,0,0,0,1|2,0,0]=4 36 B15R1.913 O=C(OC(C)(C)C)NC1=CC=C(Cl)C=C1 M10155454P [0,2,0,0,0,0|2,0,0]=4 37 B15R1.913 O=C(OC(C)(C)C)NC1=CC=C(N)C=C1 M10441014P [0,2,0,0,0,0|2,0,0]=4 38 B13R2.26 CCCC1=NC2=CC=CC=C2N1 M10076419P [1,0,0,1,0,0|2,0,0]=4 39 B13R2.64 C1(CC2=CC=CC=C2)=NCCN1 M10000494P [1,0,0,1,0,0|2,0,0]=4 40 B15R2.15 OCC1CN(CC2=CC=CC=C2)CC1 M10079757P [0,1,0,1,0,0|2,0,0]=4 41 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [1,0,0,0,1,0|0,0,2]=4 42 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [1,0,0,0,1,0|2,0,0]=4 43 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [1,0,0,0,1,0|1,0,0]=3 44 B11R1.16 O=C(OCCl)C1=CC=CC=C1 M10071312P [1,0,0,0,1,0|2,0,0]=4 45 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,0,0,0,1,0|1,0,0]=3 46 B11R1.36 CC(C)C(C1=CC=CC=C1)=O M10015939P [0,0,0,0,2,0|0,0,0]=2 47 B11R1.36 CC(F)C(C1=CC=CC=C1)=O M10168847P [0,0,0,0,2,0|1,0,0]=3 48 B11R1.36 O=C(N(C)C)C1=CC=CC=C1 M10015943P [0,0,0,0,2,0|1,0,0]=3 49 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [1,0,0,0,0,1|1,0,0]=3 50 B15R1.5919 O=C(OCC(C)C)\C=C\C1=CC=CC=C1 M10004508P [0,0,0,0,0,2|0,0,1]=3