0 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [1,0,0,0,0,0|1,2,0]=4 14 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.59733 CC1=CC(=[O+]C2=C1C=C(C(=C2)O)O)C S192287 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.40 CC1=CC=CC(=C1C)NC(=O)C#N S744239 [0,0,1,0,0,0|1,0,2]=4 19 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [0,0,1,0,0,0|1,0,2]=4 20 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [0,0,1,0,0,0|1,0,2]=4 21 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [0,0,1,0,0,0|1,0,2]=4 22 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,0,1,0,0,0|1,0,2]=4 23 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,0,1,0,0,0|2,0,1]=4 24 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.148 CC1=CC=CC(=C1)NC(=O)N(C)C S604631 [0,0,1,0,0,0|2,0,1]=4 26 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.202 CC1=C(C=CC=C1)/C=C(\C)/[N+](=O)[O-] PH014796 [0,0,1,0,0,0|3,0,0]=4 28 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,0,0,0,1,0|1,0,1]=3 30 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [0,0,0,0,1,0|1,0,1]=3 31 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,0,0,0,1,0|1,0,1]=3 32 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,0,0,0,1,0|1,0,1]=3 33 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,0,0,0,1,0|1,0,1]=3 34 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [1,0,1,0,0,0|0,0,1]=3 35 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [1,0,1,0,0,0|0,1,1]=4 36 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [1,0,1,0,0,0|1,0,1]=4 37 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [1,0,1,0,0,0|1,0,1]=4 38 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [1,0,1,0,0,0|2,0,0]=4 49 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|0,0,1]=3 52 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 57 B14R1.17 C/C=C/C(=O)NC1=C(C(=CC=C1)C)C S900907 [0,1,1,0,0,0|1,0,1]=4 58 B14R1.135 CC1=CC=CC(=C1)NC(=O)C(=O)NN TMT00017 [0,1,1,0,0,0|1,0,1]=4 59 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)N L253030 [0,1,1,0,0,0|2,0,0]=4 60 B14R1.550 N#CC(=CC1=CC=CC=C1Cl)C(=O)N S523674 [0,1,1,0,0,0|2,0,0]=4 61 B14R1.3135 COC1=CC=CC=C1/C=C(\C)/C(=O)O S560405 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.3135 COC1=CC=CC=C1/C=C(\S)/C(=O)O S762539 [0,1,1,0,0,0|1,1,0]=4 63 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|1,0,1]=4 70 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [1,1,0,0,0,0|1,0,1]=4 73 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [1,1,0,0,0,0|1,0,1]=4 74 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [1,1,0,0,0,0|1,0,0]=3 75 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.4220 CC1=C2NC(=C(C2=CC=C1)C=O)C CBR01860 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.8620 CC1=CC=C(C2=C1NC(=O)C2=O)C S17567 [0,1,0,0,1,0|1,0,1]=4 78 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [0,1,0,0,1,0|1,0,1]=4 79 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O R162574 [0,1,0,0,1,0|1,0,1]=4 80 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,1,0,0,1,0|1,0,1]=4 81 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,1,0,0,1,0|1,0,1]=4 82 B16R2.1935 COC1=CC2=C(C=C1OC)C(=CC=C2)C S759708 [0,2,0,0,0,0|1,0,1]=4 83 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,0,1,1,0,0|2,0,0]=4 84 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,0,1,1,0,0|1,0,1]=4 85 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 PH004711 [0,0,1,1,0,0|2,0,0]=4 86 B14R2.781 NC(=O)N1CC2=C(C=CC=C2)CO1 PH009119 [0,0,1,1,0,0|1,0,1]=4 87 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,0,1,1,0,0|1,0,1]=4 88 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,1,0|1,0,1]=4 90 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|0,0,1]=3 92 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)C S384879 [0,0,1,0,0,1|0,0,2]=4