0 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.450 CCOC(=O)C1=CC(=NC(=C1)C)Cl JRD0891 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.450 CCOC(=O)C1=CC(=O)[N-]C(=S)[N-]1 S789518 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [1,0,0,0,0,0|2,1,0]=4 6 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.17 CCOC(=O)C1=CC(=NC=N1)N PH017297 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.358 COC(=O)C1=NC(=NC(=C1)C)O JRD0865 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.923 C#CCNC(=O)C1=CC(=CC(=C1)Cl)Cl CDS024020 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.923 CCCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344400 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PH011379 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl S361658 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)O)Br)C PH018852 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.18985 CCOC(=O)C1=C(C(=CC(=C1)C)C)O S240478 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Br)Br PH000440 [0,1,0,0,0,0|1,2,0]=4 18 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010912 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.313 CCOC(=O)C1=C(N=C(O1)N)C CDS021036 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.313 CCOC(=O)C1=C(N=C(S1)C)O PH011028 [0,0,0,0,1,0|3,0,0]=4 21 B12R1.313 CCOC(=O)C1=C(NC(=C1)C)C T326259 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.313 CCOC(=O)C1=C(SC(=N1)Cl)C SYX00234 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.313 CCOC(=O)C1=CC(=NN1C)C JRD0206 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.314 CCOC(=O)C1=CC(=C(O1)Br)Br S814520 [0,0,0,0,1,0|1,2,0]=4 25 B14R1.952 CCOC(=O)CC1=CC(=CC(=C1)C)C PH016257 [0,0,0,0,0,1|3,0,0]=4 26 B14R1.952 CCOC(=O)OC1=CC(=CC(=C1)C)C S671126 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [2,0,0,0,0,0|0,1,0]=3 34 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [2,0,0,0,0,0|1,1,0]=4 35 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [2,0,0,0,0,0|0,2,0]=4 38 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [1,1,0,0,0,0|1,1,0]=4 39 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [1,1,0,0,0,0|1,1,0]=4 40 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.123 CC/N=C/C1=CC(=CC(=C1O)Cl)Cl PH007366 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.314 CCC1=NC(=CC(=C1)C(=O)OC)O JRD1293 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010709 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.4789 O=C(CBr)C1=C(C(=CC(=C1)Cl)Cl)F L446629 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.457 CCOC(=O)C1=C(C(=C(O1)Cl)Cl)Cl S811351 [0,1,0,0,1,0|2,0,0]=4 49 B15R1.3898 CCCNC(=O)NC1=CC(=CC(=C1)Cl)Cl S708801 [0,1,0,0,0,1|2,0,0]=4 50 B15R1.3898 CCCOC(=O)NC1=CC(=CC(=C1)Cl)Cl S709859 [0,1,0,0,0,1|1,0,0]=3 51 B15R1.3898 O=C(NC1=CC(=CC(=C1)Cl)Cl)OCCCl S709123 [0,1,0,0,0,1|1,0,0]=3 52 B15R1.5446 CC(C)NC(=O)NC1=CC(=CC(=C1)Cl)Cl S708828 [0,1,0,0,0,1|2,0,0]=4 53 B15R1.5446 CC(C)NC(=O)OC1=CC(=CC(=C1)Cl)Cl S721689 [0,1,0,0,0,1|2,0,0]=4 54 B15R1.1386 CCCCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344354 [0,2,0,0,0,0|2,0,0]=4 55 B15R1.5451 CC(C)(C)NC(=O)C1=CC(=CC(=C1)Cl)Cl R344478 [0,2,0,0,0,0|2,0,0]=4 56 B15R1.9719 CCOC(=O)C1=C(C(=C(C(=N1)Cl)Cl)Cl)Cl S60829 [0,2,0,0,0,0|2,0,0]=4 57 B15R1.36507 CCOC(=O)C1=CC(=NC(=C1C#N)Cl)C S376787 [0,2,0,0,0,0|1,0,0]=3 58 B13R2.162 O=C1CCCC2=CC=C(C=C12)Cl JRD0695 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.3742 O=C1CCC2=C(C=C(C=C12)F)Cl RNI00131 [1,0,0,1,0,0|1,1,0]=4 60 B11R1.15 CCOC(=O)C1=CC=C(O1)Br S811386 [1,0,0,0,1,0|1,1,0]=4 61 B11R1.15 CCOC(=O)C1=CN=C(S1)C SYX00356 [1,0,0,0,1,0|2,0,0]=4 62 B11R1.15 CCOC(=O)C1=CSC(=N1)Cl JRD0389 [1,0,0,0,1,0|2,0,0]=4 63 B11R1.199 CCOC(=O)C1=C(SC=C1)N JRD0693 [1,0,0,0,1,0|2,0,0]=4 64 B11R1.199 CCOC(=O)C1=CSN=C1C CVT00098 [1,0,0,0,1,0|2,0,0]=4 65 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [1,0,0,0,1,0|1,0,1]=4 66 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [1,0,0,0,0,1|2,0,0]=4 67 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [1,0,0,0,0,1|1,0,0]=3 68 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [1,0,0,0,0,1|2,0,0]=4 69 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [1,0,0,0,0,1|2,0,0]=4 70 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [0,0,0,0,1,1|2,0,0]=4 71 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [0,0,0,0,1,1|2,0,0]=4 72 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)C)Cl PH003495 [0,0,0,0,1,1|1,0,0]=3 73 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)C)O S216038 [0,0,0,0,1,1|2,0,0]=4 74 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)N)O S423475 [0,0,0,0,1,1|2,0,0]=4 75 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)O)N S343374 [0,0,0,0,1,1|2,0,0]=4 76 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)S)N S348074 [0,0,0,0,1,1|2,0,0]=4 77 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)S)N S984035 [0,0,0,0,1,1|2,0,0]=4 78 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)S)[O-] S782920 [0,0,0,0,1,1|2,0,0]=4 79 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Cl)Cl ANV00099 [0,0,0,0,1,1|1,0,0]=3