0 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,0,0,0,0,0|2,0,2]=4 64 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,0,0,0,0,0|2,0,1]=3 69 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,0,0,0,0,0|2,0,1]=3 70 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,0,0,0,0,0|2,0,1]=3 72 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,0,0,0,0,0|1,0,2]=3 73 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,0,0,0,0,0|2,0,2]=4 75 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,0,0,0,0,0|2,0,2]=4 76 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,0,0,0,0,0|2,0,2]=4 77 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|1,0,2]=4 80 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.3 CC1=NNC(=O)CC1 R750921 [1,0,0,0,0,0|1,0,2]=4 84 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|1,0,2]=4 90 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,0,0,0,0,0|2,1,0]=4 92 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,0,0,0,0,0|1,0,1]=3 106 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|2,1,0]=4 111 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|1,0,2]=4 115 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 C#CC1=NC=C(C=C1F)C CDS024546 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,0|0,0,2]=3 149 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,1,0,0,0,0|2,1,0]=4 225 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,0,1,0,0,0|1,0,2]=4 238 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,0,0,0,1,0|2,1,0]=4 239 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,0,0,0,1,0|2,0,1]=4 240 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|2,0,0]=3 241 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,1,0|3,0,0]=4 242 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,0,1,0|2,0,1]=4 243 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|2,0,1]=4 244 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,0,0,0,1,0|3,0,0]=4 245 B8R1.50 CC1=NNC(=C1N)C L203173 [0,0,0,0,1,0|3,0,0]=4 246 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|2,0,0]=3 247 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.6 C=C(C)COC(=O)N S352055 [1,0,1,0,0,0|1,0,1]=4 249 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 250 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,1]=4 253 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|0,0,0]=2 254 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 255 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.3 O=C1CSC=CN1 OTV000696 [2,0,0,0,0,0|1,0,1]=4 257 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 260 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|1,1,0]=4 264 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|1,1,0]=4 265 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|0,0,1]=3 267 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|0,0,1]=3 281 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|1,1,0]=4 284 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|0,0,2]=4 285 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|0,0,1]=3 291 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|1,0,1]=4 293 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|1,0,1]=4 297 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|0,0,2]=4 319 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,1,0|1,0,1]=4 320 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.27 CC1=NNC(=C1CO)C CBR01589 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.678 CC1=CC(C(=O)NC(=C1)C)C T161217 [0,1,0,0,0,1|1,0,1]=4 324 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.32 N1C(=O)C(=C(C(=C1C)C)Cl)Cl S894567 [0,2,0,0,0,0|1,0,0]=3 328 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.277 COC1=CC(=C(N=C1I)I)O ADE000497 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.277 N#CC1=C(NC(=O)C(=C1)F)O CDS021427 [0,2,0,0,0,0|1,0,1]=4 346 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|1,0,0]=3 349 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,2,0,0,0,0|1,0,1]=4 352 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.167 CC1=CN=C(C(=C1)B(O)O)C CDS010143 [0,2,0,0,0,0|1,0,1]=4 357 B11R1.167 CC1=CN=C(C(=C1)B(O)O)F CDS022460 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.182 CC1=CN=C(C(=C1)/C=N/O)Cl ADE000762 [0,2,0,0,0,0|1,0,1]=4 363 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,2,0,0,0,0|1,0,1]=4 370 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,1,1,0,0|2,0,0]=4 371 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,1,0|2,0,0]=4 372 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|2,0,0]=4 373 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,1,0|2,0,0]=4 374 B7R1.4 CC1=NNC=C1I BML00217 [1,0,0,0,1,0|2,0,0]=4