0 B15R2.14628 CC(=O)C1=C2C=CC=NC2=C(C=C1)O PH006954 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.14628 CC1=CC=C(C2=C1N=CC=C2)[N+](=O)[O-] R276820 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.14628 O=C(F)C1=CC=C(C2=C1C=CC=C2)Br R269409 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.14628 O=C(O)C1=CC=C(C2=CC=CC=C12)Br CDS004852 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.14628 O=[N+]([O-])C1=C2C=NC=CC2=C(C=C1)Cl PH008031 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.14628 O=[N+]([O-])C1=CC=C(C2=C1C=CC=C2)Br R268615 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.14628 O=[N+]([O-])C1=CC=C(C2=NC=CC=C12)Cl PH009765 [0,0,0,0,0,0|1,0,0]=1 7 B14R2.1131 CC1=C2N=CC=CC2=C(C=C1)C=O CBR01746 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.1131 N#CC1=CC=C(C2=NC=CC=C12)O PH017864 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CDS018146 [1,0,0,0,0,0|1,0,0]=2 10 B14R2.1131 O=NC1=CC=C(C2=C1C=CC=C2)O PH007264 [1,0,0,0,0,0|1,0,1]=3 11 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl TMT00007 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.1131 OCC1=CC=C(C2=C1C=CC=N2)O PH010379 [1,0,0,0,0,0|1,0,1]=3 13 B14R2.31359 CC(=O)C1=CC=NC2=NC=CC=C12 PH016006 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.31359 C[C@@H](N)C1=CC=CC2=NC=CC=C12 CDS014255 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 PH011547 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 CDS001076 [1,0,0,0,0,0|1,0,1]=3 17 B14R2.31359 O=[N+]([O-])C1=CC=CC2=C1C=CC=N2 S364207 [1,0,0,0,0,0|0,0,0]=1 18 B16R2.22312 O=[N+]([O-])C1=CC(=C(C2=NC=CC=C12)O)Cl T325597 [0,1,0,0,0,0|0,0,0]=1 19 B16R2.23332 NC1=C2N=CC=CC2=C(C(=C1)O)[N+](=O)[O-] PH007975 [0,1,0,0,0,0|1,0,0]=2 20 B16R2.24415 CC1=CC=C(C2=C1C=CC=C2)S(=O)(=O)[O-] S318086 [0,1,0,0,0,0|3,0,0]=4 21 B16R2.24415 NC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-] R580902 [0,1,0,0,0,0|3,0,0]=4 22 B16R2.24415 OC1=CC=C(C2=CC=CN=C12)C(F)(F)F PH017865 [0,1,0,0,0,0|3,0,0]=4 23 B16R2.33942 O=C(CCl)C1=CC=C(C2=C1C=CC=N2)O PH014518 [0,1,0,0,0,0|2,0,0]=3 24 B16R2.39178 CNC1=CC=C(C2=C1C=CC=C2)[N+](=O)[O-] PH007893 [0,1,0,0,0,0|2,0,0]=3 25 B16R2.39178 COC1=CC=C(C2=C1C=CC=C2)C(=O)O CDS001892 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8653 O=[N+]([O-])C1=C2NN=CC2=C(C=C1)Br PHB00221 [0,0,0,0,1,0|3,0,0]=4 27 B16R2.24414 CC(=O)NC1=CC=C(C2=CC=CC=C12)O PH010084 [0,0,0,0,0,1|3,0,0]=4 28 B13R1.568 C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] R152137 [1,0,1,0,0,0|2,0,0]=4 29 B13R1.572 N#C/C=C/C1=C(C=CC=C1)[N+](=O)[O-] S485829 [1,0,1,0,0,0|0,0,2]=4 30 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [2,0,0,0,0,0|2,0,0]=4 31 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [2,0,0,0,0,0|1,0,1]=4 32 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [2,0,0,0,0,0|0,0,1]=3 34 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [2,0,0,0,0,0|1,0,1]=4 35 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [2,0,0,0,0,0|2,0,0]=4 36 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [2,0,0,0,0,0|1,0,1]=4 37 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [2,0,0,0,0,0|1,0,0]=3 38 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [2,0,0,0,0,0|1,0,0]=3 39 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [2,0,0,0,0,0|1,0,1]=4 40 B15R1.876 CC(=O)/C=C/C1=C(C=CC(=C1)[N+](=O)[O-])O R617326 [0,1,1,0,0,0|1,0,1]=4 41 B15R2.22222 O/N=C/1\C=C/C(=N\O)/C2=C1C=CC=N2 PH009042 [1,1,0,0,0,0|0,0,2]=4 42 B15R2.22222 O=NC1=CC=C(C2=C1C=CC=N2)N=O S63801 [1,1,0,0,0,0|0,0,2]=4 43 B15R2.22222 O=NC1=CC=C(C2=C1C=CC=N2)N=O S63828 [1,1,0,0,0,0|0,0,2]=4 44 B15R2.384 CC1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-] S834637 [1,1,0,0,0,0|1,0,0]=3 45 B15R2.384 CC1=CC=C2C(=CC=CC2=N1)[N+](=O)[O-] T323780 [1,1,0,0,0,0|0,0,0]=2 46 B15R2.384 NC1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-] T153427 [1,1,0,0,0,0|1,0,0]=3 47 B15R2.384 O=[N+]([O-])C1=C2C=C[N+](=CC2=CC=C1)[O-] PH002905 [1,1,0,0,0,0|2,0,0]=4 48 B15R2.384 O=[N+]([O-])C1=CC=CC2=C1C=CC(=C2)O T153559 [1,1,0,0,0,0|1,0,0]=3 49 B15R2.988 O=[N+]([O-])C1=CC(=CC2=C1N=CC=C2)Cl S811610 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.1162 NC1=C(C2=C(C=CC=C2)C=C1)[N+](=O)[O-] S453528 [1,1,0,0,0,0|1,0,0]=3 51 B15R2.1162 O=[N+]([O-])C1=C(C=CC2=C1C=CC=N2)Cl S830828 [1,1,0,0,0,0|0,0,0]=2 52 B15R2.7268 CC1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1 T159840 [1,1,0,0,0,0|2,0,0]=4 53 B15R2.13611 CC1=CC=CC2=C1C=CC=C2[N+](=O)[O-] R269786 [1,1,0,0,0,0|1,0,0]=3 54 B15R2.13611 CC1=CC=NC2=C(C=CC=C12)[N+](=O)[O-] T144398 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.13611 O=[N+]([O-])C1=CC=CC2=C1C=CC=C2Br S442364 [1,1,0,0,0,0|1,0,0]=3 56 B15R2.13611 O=[N+]([O-])C1=CC=CC2=C1C=CC=C2I R268844 [1,1,0,0,0,0|1,0,0]=3 57 B15R2.61345 O=[N+]([O-])C1=CC=CC2=C1C(=CC=C2)I R268801 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.61345 O=[N+]([O-])C1=CC=CC2=CC=CC(=C12)Cl T284041 [1,1,0,0,0,0|1,0,0]=3 59 B15R2.61345 O=[N+]([O-])C1=CC=CC2=CN=CC(=C12)Br PH006833 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.79765 O=NN([O-])C1=CC=CC2=CC=CC=C12 R750654 [1,1,0,0,0,0|1,0,1]=4 61 B17R2.67162 COC1=CC=C(C2=C1C=CC=C2)/C=[N+](\C)/[O-] L170313 [0,1,0,0,0,1|2,0,0]=4 62 B17R2.61263 CSC1=C(C2=C(N=CC=C2)C(=C1)N)[N+](=O)[O-] S814725 [0,2,0,0,0,0|1,0,0]=3 63 B17R2.67164 COC1=C2C=CC=CC2=C(C=C1)S(=O)(=O)[O-] S433853 [0,2,0,0,0,0|2,0,0]=4 64 B17R2.237647 CCOC1=CC=C(C2=C1N=CC=C2)[N+](=O)[O-] CDS021556 [0,2,0,0,0,0|0,0,0]=2 65 B15R2.1760 CCC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] KOB0084 [0,0,1,1,0,0|0,0,2]=4 66 B15R2.627 CC1=C2N=CC=CC2=CC=C1[N+](=O)[O-] PH003453 [0,0,1,1,0,0|1,0,1]=4 67 B15R2.61353 O=[N+]([O-])C1=CC2=C(C=C1)N=CC=C2O PH011637 [0,0,1,1,0,0|2,0,0]=4 68 B15R2.61353 O=[N+]([O-])C1=CC=C2N=NC=C(C2=C1)O T137987 [0,0,1,1,0,0|1,0,0]=3 69 B15R2.68122 CC(=O)NC1=CC=CC2=NC=CC=C12 R461598 [1,0,0,0,0,1|2,0,0]=4 70 B15R2.68122 O=C([O-])CC1=CC=CC2=C1C=CC=C2 S572896 [1,0,0,0,0,1|2,0,0]=4 71 B15R2.14951 O=[N+]([O-])C1=CC2=C(N=CC=C2)C(=C1)Cl S838624 [0,0,0,0,1,1|1,0,0]=3