0 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 A51013 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.420 O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 AC6087 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.337 CC(C)CCNCC1=CC=CC=C1 F52160 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.337 CN(C)CCCOC1=CC=CC=C1 S10605 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [1,0,0,0,0,0|1,0,1]=3 9 B15R2.59 CC(C)[C@@H]1COC(C2=CC=CC=C2)=N1 V10335 [0,0,0,1,0,0|1,0,0]=2 10 B15R2.59 CC(C)[C@@H]1COC(C2=CC=CC=C2)=N1 V10358 [0,0,0,1,0,0|1,0,0]=2 11 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C77841 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C78022 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C78144 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.65988 CC1(C)CCNC(=O)C2=C1C=CC=C2 59797 [0,0,0,1,0,0|1,0,0]=2 15 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,0,0,0,1,0|2,0,0]=3 17 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.30 NCCCC(=O)C1=CN=CC=C1 D84284 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [2,0,0,0,0,0|1,1,0]=4 22 B14R1.20 NCCCNC(=O)C1=CC=CC(Cl)=C1 F21027 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.20 NCCCNC(=O)C1=CC=CC(F)=C1 F21026 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.38 CCOCCNC(=O)C1=CC=CC=C1 A50976 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.716 OC[C@@H](O)CCOCC1=CC=CC=C1 T71246 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.716 OC[C@@H](O)CCOCC1=CC=CC=C1 T71420 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 94477 [0,1,0,0,1,0|1,0,1]=4 28 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75641 [0,1,0,0,1,0|1,0,0]=3 29 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 67719 [0,1,0,0,1,0|2,0,0]=4 30 B16R1.1050 CC1=CC=C(S(=O)(=O)OCCC(C)C)C=C1 F11749 [0,2,0,0,0,0|1,0,0]=3 31 B14R2.8 CC[C@H]1COC(C2=CC=CC=C2)=N1 V10362 [1,0,0,1,0,0|1,0,0]=3 32 B14R2.8 CC[C@H]1COC(C2=CC=CC=C2)=N1 V10363 [1,0,0,1,0,0|1,0,0]=3 33 B14R2.8 OC[C@H]1COC(C2=CC=CC=C2)=N1 AC6881 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.114 O=C(C1=CC=CC=C1)[C@@H]2CCCN2 C77887 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 I11205 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.792 O=C(OC[C@H]1CO1)C2=CC=CC=C2 56433 [1,0,0,1,0,0|1,0,0]=3 37 B14R2.24101 O=C1CCCCCC2=C1C=CC=C2 92621 [1,0,0,1,0,0|1,0,0]=3 38 B14R2.403 CC1(C)CN=C(C2=CC=CC=C2)O1 V10355 [0,0,0,1,1,0|1,0,1]=4 39 B14R2.29285 CC1(C)CC[C@H](N)C2=C1C=CC=C2 59798 [0,0,0,1,1,0|1,0,1]=4 40 B16R2.157 CC(C)C[C@H]1COC(C2=CC=CC=C2)=N1 V10364 [0,0,0,1,0,1|1,0,0]=3 41 B16R2.157 CC(C)C[C@H]1COC(C2=CC=CC=C2)=N1 V10365 [0,0,0,1,0,1|1,0,0]=3 42 B16R2.2829 O=C1CC[C@H](OC(=O)C2=CC=CC=C2)C1 F53150 [0,0,0,1,0,1|1,0,1]=4 43 B16R2.3326 O=C1CC(COC(=O)C2=CC=CC=C2)C1 F50141 [0,0,0,1,0,1|1,0,1]=4 44 B16R2.2865 CC(C)[C@@H]1COC(C2=CC=C(Cl)C=C2)=N1 V10373 [0,1,0,1,0,0|1,0,0]=3 45 B16R2.2865 CC(C)[C@@H]1COC(C2=CC=C(Cl)C=C2)=N1 V10374 [0,1,0,1,0,0|1,0,0]=3 46 B16R2.141 CC[C@@H](C)[C@@H]1COC(C2=CC=CC=C2)=N1 V10366 [0,1,0,1,0,0|1,0,0]=3 47 B12R1.35 CCCCOC(=O)C1=CSC=C1 T72281 [1,0,0,0,1,0|1,0,0]=3 48 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,0,0,0,1,0|1,0,1]=4 49 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,0,0,0,1,0|1,0,1]=4 50 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,0,0,0,2,0|1,0,0]=3 51 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,0,0,0,2,0|1,0,0]=3