0 B12R1.1589 CCOC(=O)C1=C(NN=C1C)C CDS013674 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.1589 CCOC(=O)C1=C(ON=C1C)C KOB0119 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.1589 CCOC(=O)C1C(=NOC1C)Cl S101923 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.1589 N1C=C(C(=C1C)C(=O)OCC)O S928151 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.199 CCOC(=O)C1=C(SC=C1)N JRD0693 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.199 CCOC(=O)C1=CSN=C1C CVT00098 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.199 CCOC(=O)C1C=NOC1=O S443182 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.465 CC1=NNC(=C1CCCN)C CBR00233 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.465 CNCCC1=C(NN=C1C)C CBR00097 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.875 CNC(C)C1=C(NN=C1C)C CBR00705 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.875 COC(=O)C1=C(ON=C1C)N CDS021094 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.875 COC(=O)C1=C(SC=C1C)N R786993 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.1524 CCOC(=O)C1=C(NN=C1NC)C PH008131 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.4456 CCOC(=O)C1=C(N(C=C1C)C)C PH007177 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.4456 CCOC(=O)C1=C(N(N=C1C)C)C S940305 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.4456 CCOC(=O)C1=C(N(N=C1C)C)N PH011396 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.4456 CCOC(=O)C1=C(SC(=C1C)C)N TMT00191 [0,1,0,0,0,0|3,0,0]=4 18 B11R0.5 C(=C(/C)\NCC=C)\C(=O)OCC S509086 [0,0,1,0,0,0|1,0,1]=3 19 B13R2.11642 CC1=COC2=C1C(=O)CC(C2)C T262455 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.446 CCOC(=O)C1=C(NNC(C1)C)C PH000972 [0,0,0,0,0,1|0,0,2]=3 21 B13R1.2565 CCCC(=O)NC1=C(NN=C1C)C R348678 [0,0,0,0,0,1|1,0,0]=2 22 B13R1.4453 CCOC(=O)C1=C(C=CC=C1C)O CDS004594 [0,0,0,0,0,1|3,0,0]=4 23 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [1,0,1,0,0,0|0,0,1]=3 24 B10R0.101 CCOC(=O)/C(=C(/C)\N)/C#N PH007109 [1,0,1,0,0,0|0,0,2]=4 25 B10R1.11 CCOC(=O)C1=CNC=N1 CVT00042 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.149 CCC(=O)C1=CC=NN1C CBR01985 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.149 COC(=O)C1=C(ON=C1)N CBR01090 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.149 COC(=O)C1=COC=C1C T208701 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.149 COC(=O)C1=NNC=C1C S940550 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.187 CC1=NNC(=C1CCCl)C CDS014862 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.187 CC1=NNC(=C1CCN)C CBR02463 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.192 CC1=NNC(=C1B(O)O)C BML00276 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.192 CC1=NNC(=C1C(=O)O)C CDS014126 [2,0,0,0,0,0|0,0,0]=2 35 B12R0.283 CCOC(=O)C/C(=N/NC(=S)N)/C R904619 [0,1,1,0,0,0|1,0,1]=4 36 B12R1.313 CCOC(=O)C1=C(N=C(O1)N)C CDS021036 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.313 CCOC(=O)C1=C(NC(=C1)C)C T326259 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.313 CCOC(=O)C1=C(NC(=S)S1)C PH008427 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.313 CCOC(=O)C1=CC(=NN1C)C JRD0206 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.1579 CCOC(=O)C1=CN=C(N1C)N CDS021097 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.567 CNCCCC1=C(NN=C1C)C CBR00245 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.7276 CCOC(=O)C1=C(C=CC=C1OC)C S295019 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.18811 CCOC(=O)C1=C(C=C(C=C1C)O)C S873845 [0,1,0,0,0,1|2,0,0]=4 44 B14R1.18811 CCOC(=O)C1=C(C=C(N=C1C)C)O R993247 [0,1,0,0,0,1|2,0,0]=4 45 B14R1.18811 CCOC(=O)C1=C(NC(=S)NC1C)C L316237 [0,1,0,0,0,1|0,0,2]=4 46 B14R1.7271 CCOC(=O)C1=C(ON=C1C(C)Br)C S763039 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.18032 CCOC(=O)C1=C(NC(=C1C)C)CC L164011 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [1,0,0,0,0,1|2,0,0]=4 49 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [1,0,0,0,0,1|2,0,0]=4 50 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [1,0,0,0,0,1|2,0,0]=4 51 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [1,0,0,0,0,1|2,0,0]=4 52 B14R1.950 CCOC(=O)NC1=C(C=CC(=C1)C)C S665126 [0,0,0,0,0,2|2,0,0]=4 53 B14R1.19171 CCOC(=O)CC1=C(N=CN=C1C)O S216100 [0,0,0,0,0,2|1,0,1]=4 54 B14R1.19171 CCOC(=O)NC1=C(C=CC=C1C)C S667064 [0,0,0,0,0,2|2,0,0]=4