0 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 4356AJ [0,0,0,0,0,0|3,0,0]=3 1 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [0,0,0,0,0,0|1,1,0]=2 2 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 3091AH [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 C=CCC1=CC=CC=C1OC 0626AQ [1,0,0,0,0,0|1,0,1]=3 4 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [1,0,0,0,0,0|1,0,0]=2 5 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 8398AE [1,0,0,0,0,0|2,0,0]=3 6 B11R1.86 CC(C)CC1=CC=CC=C1O 5740AB [1,0,0,0,0,0|2,0,1]=4 7 B13R1.91 CNC(C)CC1=CC=CC=C1OC 0320AQ [0,1,0,0,0,0|2,0,1]=4 8 B13R1.380 CCOC1=C(CC(C)N)C=CC=C1 3896AD [0,1,0,0,0,0|2,0,1]=4 9 B13R1.589 CC(=O)CC1=CC=CC=C1C(=O)O 9144AD [0,1,0,0,0,0|3,0,0]=4 10 B13R1.589 CC(=O)CC1=CC=CC=C1[N+](=O)[O-] 1396AL [0,1,0,0,0,0|3,0,0]=4 11 B13R1.589 CC(=O)OC1=C(C(=O)O)C=CC=C1 4784AB [0,1,0,0,0,0|2,0,0]=3 12 B13R1.589 CN(C)C1=C(CC(=O)O)C=CC=C1 8497AH [0,1,0,0,0,0|3,0,0]=4 13 B13R1.2135 COC1=CC=CC(O)=C1OC(C)C 0779AA [0,1,0,0,0,0|1,0,1]=3 14 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 1558AL [0,0,0,1,0,0|2,0,1]=4 15 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 I481 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.163 O=C1CCNC2=C(C=CC=N2)N1 1773AC [0,0,0,1,0,0|3,0,0]=4 17 B13R2.328 CC1NC(=O)NC2=CC=CC=C21 2878AJ [0,0,0,1,0,0|3,0,0]=4 18 B13R2.581 CC1=NC2=CC=CC(CO)=C2O1 6499AA [0,0,0,1,0,0|3,0,0]=4 19 B13R2.581 COC1=CC=CC2=C1N=C(Br)S2 7885AJ [0,0,0,1,0,0|2,1,0]=4 20 B13R2.581 COC1=CC=CC2=C1SC(N)=N2 4789AA [0,0,0,1,0,0|2,1,0]=4 21 B13R2.581 COC1=NC=CC2=C1NC(=O)C2 X6128 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.621 COC1=CC=CC=C1CC2CO2 3781AL [0,0,0,1,0,0|1,0,2]=4 23 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 5553AB [0,0,0,0,1,0|3,0,0]=4 24 B11R1.53 CCC1=CC=CC=C1C(N)=S 1710AJ [0,0,0,0,1,0|2,1,0]=4 25 B11R1.53 COC1=C(C(=N)N)N=CC=C1 2326AJ [0,0,0,0,1,0|3,0,0]=4 26 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 6065AA [0,0,0,0,1,0|1,0,1]=3 27 B11R1.53 COC1=C([N+](=O)[O-])C=CC=N1 0217AP [0,0,0,0,1,0|3,0,0]=4 28 B11R1.53 NC(=O)C1=CC=CC=C1CBr Z5233 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 0662AD [0,0,0,0,1,0|3,0,0]=4 30 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 1236AJ [0,0,0,0,1,0|3,0,0]=4 31 B11R1.53 NCC1=CC=CC=C1C(=O)O 7123AC [0,0,0,0,1,0|3,0,0]=4 32 B13R1.90 C=C(C)CCC1=CC=CC=C1OC 6129AD [0,0,0,0,0,1|2,0,0]=3 33 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 Z1608 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [2,0,0,0,0,0|1,0,0]=3 35 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [2,0,0,0,0,0|2,0,0]=4 37 B10R1.20 COC1=CC=CC=C1CBr X5311 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.20 O=CC1=C(CBr)C=CC=C1 1252AJ [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [2,0,0,0,0,0|2,0,0]=4 40 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC W8966 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.121 C=CCCC1=CC=CC=C1OC 7184AE [1,1,0,0,0,0|1,0,1]=4 42 B12R1.121 CSC1=CC=CC=C1OCCN 5382AJ [1,1,0,0,0,0|0,1,1]=4 43 B12R1.124 CC(=O)C(=O)C1=C(Cl)C=CC=C1 9878AB [1,1,0,0,0,0|2,0,0]=4 44 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 3615AL [1,1,0,0,0,0|2,0,0]=4 45 B12R1.127 CC(=O)NC1=CC(I)=CN=C1O 0585AD [1,1,0,0,0,0|2,0,0]=4 46 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O 7882AD [1,1,0,0,0,0|1,0,0]=3 47 B12R1.224 CC(=O)NC1=C(O)C(I)=CN=C1 0608AD [1,1,0,0,0,0|2,0,0]=4 48 B12R1.224 CC(=O)NC1=C(O)C(I)=NC=C1 0605AD [1,1,0,0,0,0|2,0,0]=4 49 B12R1.224 CC(=O)NC1=CC=CC(C)=C1Cl 3621AL [1,1,0,0,0,0|2,0,0]=4 50 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1Cl 3612AL [1,1,0,0,0,0|2,0,0]=4 51 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O W9844 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 0120AD [1,1,0,0,0,0|1,0,0]=3 53 B12R1.233 CC(=O)NC1=C(C)C=C(N)N=C1 9416AA [1,1,0,0,0,0|2,0,0]=4 54 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 8264AE [1,1,0,0,0,0|2,0,0]=4 55 B12R1.371 O=C(CCl)NC1=C(O)C=CN=C1 0614AD [1,1,0,0,0,0|2,0,0]=4 56 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl 5539AD [1,1,0,0,0,0|2,0,0]=4 57 B12R1.46 CNC1=CC=C(I)C=C1C(N)=O 7579AE [0,1,0,0,1,0|2,0,0]=4 58 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O 4831AA [0,1,0,0,1,0|2,0,0]=4 59 B12R1.46 COC1=NC=C(C)C=C1C(C)=O 0930AD [0,1,0,0,1,0|1,0,0]=3 60 B12R1.57 COC1=C(C(=N)N)C=CC(Br)=C1 2695AJ [0,1,0,0,1,0|2,0,0]=4 61 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O Z2581 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.87 CCC1=C(O)C=CC=C1C(=O)O 8635AA [0,1,0,0,1,0|2,0,0]=4 63 B12R1.87 COC1=C(C(C)=O)C=CC=C1Cl 6987AC [0,1,0,0,1,0|0,0,0]=2 64 B12R1.87 COC1=C(C(C)C)C=CC=C1N 8712AE [0,1,0,0,1,0|1,0,1]=4 65 B12R1.87 COC1=C(C(C)O)C=CC=C1F 9439AH [0,1,0,0,1,0|0,0,2]=4 66 B12R1.87 COC1=C(C)C=CC=C1C(C)=O 5079AH [0,1,0,0,1,0|0,0,0]=2 67 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9995AH [0,1,0,0,1,0|2,0,0]=4 68 B12R1.437 COC1=C(C(=O)O)C(Cl)=CN=C1 0935AB [0,1,0,0,1,0|2,0,0]=4 69 B14R1.482 C=C(C)CCC1=CC=CC=C1OCC 6130AD [0,1,0,0,0,1|2,0,0]=4 70 B14R1.840 COC1=C([C@H](N)CC(=O)O)C=CC=C1 2225AC [0,1,0,0,0,1|2,0,0]=4 71 B14R1.863 COC(=O)CCC1=CC=CC=C1OC 1215AQ [0,1,0,0,0,1|1,0,0]=3 72 B14R1.1600 COC1=C(\C=C\C(=O)O)C=CC(O)=C1 2337AB [0,1,0,0,0,1|2,0,0]=4 73 B14R1.368 COC1=CC(Br)=CC(Cl)=C1OC(C)C Y2809 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.3417 COC(=O)CC1=CC=C(O)C=C1OC 4321AE [0,2,0,0,0,0|1,0,0]=3 75 B14R1.965 COC1=CC=CC=C1NC(=O)CON 0921AE [0,2,0,0,0,0|1,0,0]=3 76 B14R1.3279 COC(=O)CC1=C(OC)C=CC(Br)=C1 3003AB [0,2,0,0,0,0|1,0,0]=3 77 B14R1.786 C=CCCC1=CC=CC=C1OC(C)=O 2170AF [0,2,0,0,0,0|1,0,0]=3 78 B12R1.453 COC1=CC=C(N)C(C(C)=O)=C1 9389AH [0,0,1,1,0,0|2,0,0]=4 79 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [1,0,0,1,0,0|2,0,0]=4 80 B12R2.41 C1=CC=C2OCCC=CC2=C1 Y3179 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.41 C1=CC=C2OCCCNC2=C1 1334AJ [1,0,0,1,0,0|1,0,1]=4 82 B12R2.41 C1=CN=C2OCCCOC2=C1 4606AA [1,0,0,1,0,0|1,0,1]=4 83 B12R2.315 COC1=CC=CC2=C1SC=C2 4625AC [1,0,0,1,0,0|0,1,1]=4 84 B12R2.95 CC1(C)CC2=CC=CC=C2O1 7130AE [1,0,0,1,0,0|1,0,1]=4 85 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [1,0,0,1,0,0|2,0,0]=4 86 B12R2.202 CC1=CC2=C(C)C=CC=C2N1 1386AJ [1,0,0,1,0,0|2,0,0]=4 87 B12R2.202 O=C1NC2=C(N1)C(O)=CC=C2 2826AJ [1,0,0,1,0,0|2,0,0]=4 88 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 Y6346 [0,0,0,1,1,0|0,0,0]=2 90 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,0,0,1,1,0|2,0,0]=4 91 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 4739AL [0,0,0,1,0,1|1,0,0]=3 92 B14R2.450 CC(=O)C1=C(Br)C2=C(C=CC=C2)O1 4717AF [0,0,0,1,0,1|2,0,0]=4 93 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 4270AE [0,0,0,1,0,1|2,0,0]=4 94 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C 1366AL [0,0,0,1,0,1|2,0,0]=4 95 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 2078AJ [0,0,0,1,0,1|2,0,0]=4 96 B14R2.1073 COC1=C2OCC(O)CC2=CC=C1 5384AC [0,0,0,1,0,1|0,0,2]=4 97 B14R2.7974 O=C1CCCC2=CC(Br)=CC=C2N1 7689AB [0,1,0,1,0,0|2,0,0]=4 98 B14R2.95 O=C(CBr)C1=COC2=CC=CC=C21 Y8086 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O 3243AH [0,1,0,1,0,0|2,0,0]=4 100 B14R2.741 NC1COC2=C(C=CC=C2)NC1=O 6236AC [0,1,0,1,0,0|1,0,0]=3 101 B14R2.11647 COC1=CC=CC2=C1NC(C=O)=C2 9618AD [0,1,0,1,0,0|1,0,1]=4 102 B14R2.11684 COC1=CC=CC2=C1C=C(C)C=N2 3251AJ [0,1,0,1,0,0|2,0,0]=4 103 B14R2.11684 COC1=CC=CC2=C1CC(=O)CO2 1783AA [0,1,0,1,0,0|1,0,0]=3 104 B14R2.738 NC1CC(=O)NC2=C(C=CC=C2)C1 2615AL [0,1,0,1,0,0|2,0,0]=4 105 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)C1 7645AA [0,1,0,1,0,0|2,0,0]=4 106 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [1,0,0,0,1,0|1,0,0]=3 107 B10R1.61 CC(=O)C1=C(C)C=NC=N1 5784AC [1,0,0,0,1,0|2,0,0]=4 108 B10R1.61 CC(=O)C1=C(F)C=CN=C1 4483AC [1,0,0,0,1,0|2,0,0]=4 109 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [1,0,0,0,1,0|2,0,0]=4