0 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 D8647 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.419 O=C(Cl)OCC1=CC=C([N+](=O)[O-])C=C1 N9703 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 N3095 [0,0,0,0,0,0|0,0,2]=2 3 B14R1.419 O=C(O)\C=C\C1=CC=C([N+](=O)[O-])C=C1 N8719 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 C7943 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 F8058 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.74 O=[N+]([O-])C1=CC=C(SCCO)C=C1 H8989 [1,0,0,0,0,0|1,0,2]=4 8 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O N10215 [0,1,0,0,0,0|0,0,2]=3 9 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O N2877 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.495 N[C@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O N0360 [0,1,0,0,0,0|0,0,2]=3 11 B15R1.495 O=C(O)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 N9447 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.498 CC(C)(C)C1=CC=C(\C=C\C(=O)O)C=C1 T9206 [0,1,0,0,0,0|3,0,0]=4 13 B15R1.498 O=C(O)\C=C\C1=CC=C(C(F)(F)F)C=C1 T5289 [0,1,0,0,0,0|3,0,0]=4 14 B15R1.956 NNC(=O)COC1=CC=C([N+](=O)[O-])C=C1 N9490 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.8014 O=C(O)CSC1=CC=C([N+](=O)[O-])C=C1Cl C10958 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.585 CC(=O)NC1=NC=C([N+](=O)[O-])C=C1 A11424 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 N8241 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.585 NC(=S)NC1=CC=C([N+](=O)[O-])C=C1 N8893 [0,0,0,0,1,0|2,1,0]=4 19 B13R1.585 O=C(Cl)OC1=CC=C([N+](=O)[O-])C=C1 N9093 [0,0,0,0,1,0|2,0,0]=3 20 B13R1.585 O=[N+]([O-])C1=CC=C(OC(=S)Cl)C=C1 N9812 [0,0,0,0,1,0|2,1,0]=4 21 B13R1.585 O=[N+]([O-])C1=CC=C(OC(=S)Cl)C=C1 N9812 [0,0,0,0,1,0|2,1,0]=4 22 B15R1.499 CC(=O)OC1=CC=C(\C=C\C(=O)O)C=C1 A3756 [0,0,0,0,0,1|2,0,0]=3 23 B15R1.1080 CC(=O)NCCC1=CC=C([N+](=O)[O-])C=C1 N11632 [0,0,0,0,0,1|1,0,2]=4 24 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [2,0,0,0,0,0|0,0,1]=3 26 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.113 O=C=NC1=CC=C([N+](=O)[O-])C=C1 N7614 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 N7743 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.113 O=[N+]([O-])C1=CC=C(\C=N\O)C=C1 N7698 [2,0,0,0,0,0|1,0,0]=3 31 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 M3152 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 M3152 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 M8684 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(O)=C1 H14839 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.5801 NC(=O)CC1=CC=C([N+](=O)[O-])C(Cl)=C1 C12774 [0,1,0,0,1,0|1,0,1]=4 37 B14R1.6402 CC(=O)C(=O)C1=CC=C([N+](=O)[O-])C=C1 N8722 [0,1,0,0,1,0|1,0,0]=3 38 B16R1.6949 COC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1 N17934 [0,2,0,0,0,0|0,0,2]=4 39 B16R1.6949 COC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1 N2444 [0,2,0,0,0,0|0,0,2]=4 40 B14R1.4450 CC1=C([N+](=O)[O-])C=CC=C1CC(=O)O M5853 [0,0,1,1,0,0|0,0,2]=4 41 B14R1.104 COC1=CC=C([N+](=O)[O-])C(C(=O)O)=C1 M18934 [0,0,1,1,0,0|1,0,1]=4 42 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 M8057 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.781 O=[N+]([O-])C1=CC2=C(C=CC=C2)N=C1 N7986 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.601 CC1=NC2=CC=C([N+](=O)[O-])C=C2O1 M3697 [0,0,0,1,1,0|2,0,0]=4 45 B14R2.601 O=C1CC2=C(C=C([N+](=O)[O-])C=C2)C1 N12955 [0,0,0,1,1,0|1,0,1]=4 46 B14R2.601 O=C1CC2=C(C=CC([N+](=O)[O-])=C2)N1 N8116 [0,0,0,1,1,0|2,0,0]=4 47 B14R2.601 O=C1NC2=C(C=C([N+](=O)[O-])C=C2)S1 N8843 [0,0,0,1,1,0|1,1,0]=4 48 B16R2.2827 NC1=NC(C2=CC=C([N+](=O)[O-])C=C2)=CS1 N9942 [0,0,0,1,0,1|2,0,0]=4 49 B16R2.143127 N=C(N)C1=CNC2=C1C=C([N+](=O)[O-])C=C2 N14387 [0,0,0,1,0,1|2,0,0]=4 50 B16R2.143127 O=C(O)C1=CNC2=CC=C([N+](=O)[O-])C=C21 N9269 [0,0,0,1,0,1|0,0,0]=2 51 B16R2.143127 O=C(O)C1=NNC2=CC=C([N+](=O)[O-])C=C21 N5684 [0,0,0,1,0,1|1,0,0]=3 52 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)N1 N9268 [0,1,0,1,0,0|1,0,0]=3 53 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)O1 N9321 [0,1,0,1,0,0|1,0,0]=3 54 B16R2.26103 O=C1NC(=O)C2=CC=C([N+](=O)[O-])C=C2N1 N18919 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.26103 O=C1NC2=C(C=CC([N+](=O)[O-])=C2)C(=O)O1 N9366 [0,1,0,1,0,0|2,0,0]=4 56 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,0,0,0,2,0|2,0,0]=4 57 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,0,0,0,2,0|2,0,0]=4 58 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 C18849 [0,0,0,0,2,0|2,0,0]=4 59 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 N7699 [0,0,0,0,2,0|1,0,0]=3 60 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 N12623 [0,0,0,0,2,0|1,0,0]=3 61 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 P18850 [0,0,0,0,2,0|1,0,1]=4 62 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 N8554 [0,0,0,0,2,0|0,0,1]=3 63 B12R1.256 O=[N+]([O-])C1=CC=C(B(O)O)C=C1 N5387 [0,0,0,0,2,0|1,0,1]=4 64 B14R1.6355 O=C(O)CCC1=CC=CC([N+](=O)[O-])=C1 N8803 [0,0,0,0,1,1|0,0,2]=4 65 B14R1.6355 O=C(O)\C=C\C1=CC=CC([N+](=O)[O-])=C1 N0222 [0,0,0,0,1,1|0,0,0]=2