0 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 S382787 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,0,0,0,0,0|1,1,0]=2 13 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,0,0,0,0,0|1,1,0]=2 14 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,0,0,0,0,0|2,1,0]=3 20 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,0,0,0,0,0|1,1,0]=3 36 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,0,0,0,0,0|0,0,3]=4 37 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,0,0,0,0,0|3,0,0]=4 53 B13R1.11 CC(C#N)OC(=O)C1=CC=CC=C1 EME00155 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.11 CC(CCl)NC(=O)C1=CC=CC=C1 R738484 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 R788562 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I CDS023358 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.17 CC1=CC=C(C=C1)C(=O)CCCCl S344338 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)C S409480 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl R462950 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F VBP00078 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br L481971 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl L481963 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)F L481998 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Cl R462977 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Br PH011618 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Cl S535583 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.17 OCCNC(=S)C1=CC=C(C=C1)Br T149160 [0,1,0,0,0,0|2,1,0]=4 74 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)F CDS023303 [0,1,0,0,0,0|1,0,2]=4 75 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.18 O=C(NCCO)C1=CC(=CN=C1)Br EME00387 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.24 C=CCCCS(=O)C1=CC=CC=C1 T293229 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,1,0,0,0,0|0,0,1]=2 81 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.26 CCCCC(C#N)C1=CC=CC=C1 S886351 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 S447862 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,0,0,0,0|1,0,2]=4 101 B13R1.122 CCCCS(=O)(=O)C1=CC=CC=C1 S799262 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.122 COCCS(=O)(=O)C1=CC=CC=C1 T285137 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 R151564 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 PH010551 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.122 O=S(=O)(OCCBr)C1=CC=CC=C1 S832782 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.674 C#CCNC(=O)C1=CC=CC=C1I CDS023359 [0,1,0,0,0,0|1,0,2]=4 107 B13R1.674 C/C(=N\CCO)/C1=CC=CC=C1O S648876 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.674 C=CCNC(=O)C1=CC=CC=C1Br S880698 [0,1,0,0,0,0|1,0,2]=4 109 B13R1.674 C=CCNC(=O)C1=CC=CC=C1I T110914 [0,1,0,0,0,0|1,0,2]=4 110 B13R1.674 C=CCNC(=O)C1=CC=CC=C1O S542830 [0,1,0,0,0,0|1,0,2]=4 111 B13R1.674 CCC/N=C(/C)\C1=CC=CC=C1O S720593 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)Cl R331872 [0,1,0,0,0,0|1,0,0]=2 113 B13R1.674 CCCNC(=O)C1=CC=CC=C1O S580775 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl T315435 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.674 CCCNC(=S)C1=CC=CC=C1N PH007405 [0,1,0,0,0,0|1,1,0]=3 116 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 CDS005086 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.3 [SiH]1(CCCCC1)C2=CC=CC=C2 S830259 [0,0,0,1,0,0|2,1,0]=4 118 B13R2.223 NC1(CCCC1)C2=CC=CC=C2 OTV000612 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.223 OC1(CCCC1)C2=CC=CC=C2 S504661 [0,0,0,1,0,0|1,0,2]=4 120 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,0,0,1,0,0|2,0,1]=4 121 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [0,0,0,1,0,0|2,0,0]=3 122 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)N CBR00053 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.5252 CN1CCCCC2=CC=CC=C12 T167851 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [0,0,0,1,0,0|2,0,0]=3 126 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [0,0,0,1,0,0|1,0,0]=2 127 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [0,0,0,1,0,0|2,0,0]=3 128 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [0,0,0,1,0,0|2,0,0]=3 129 B11R1.29 NCCNC(=O)C1=CC=CO1 R733512 [0,0,0,0,1,0|3,0,0]=4 130 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [0,0,0,0,0,1|0,0,2]=3 131 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [0,0,0,0,0,1|1,0,2]=4 132 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [0,0,0,0,0,1|0,0,2]=3 133 B13R1.44 C=CCOC(=S)NC1=CC=CC=C1 PH007059 [0,0,0,0,0,1|0,1,2]=4 134 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [0,0,0,0,0,1|1,0,2]=4 135 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [0,0,0,0,0,1|1,0,0]=2 136 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [0,0,0,0,0,1|1,1,0]=3 137 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [0,0,0,0,0,1|0,1,0]=2 138 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,0,0,0,0,1|2,0,0]=3 140 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [0,0,0,0,0,1|2,0,0]=3 141 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [0,0,0,0,0,1|1,0,0]=2 142 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [0,0,0,0,0,1|1,0,0]=2 143 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [0,0,0,0,0,1|2,0,0]=3 144 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [0,0,0,0,0,1|2,0,0]=3 145 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S531359 [0,0,0,0,0,1|2,1,0]=4 146 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [2,0,0,0,0,0|0,0,2]=4 147 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [2,0,0,0,0,0|0,1,0]=3 153 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [2,0,0,0,0,0|1,1,0]=4 160 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,1]=4 164 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [1,1,0,0,0,0|0,0,0]=2 168 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [1,1,0,0,0,0|0,0,0]=2 169 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [1,1,0,0,0,0|0,0,0]=2 171 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,1,0,0,0,0|0,0,2]=4 173 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,1,0,0,0,0|0,0,2]=4 174 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,1,0,0,0,0|0,0,2]=4 175 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl EME00413 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [1,1,0,0,0,0|0,0,0]=2 181 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.17 CCNC(=O)C1=CC=CC(=N1)Br PH018909 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.17 CCNC(=O)C1=NC(=CC=C1)F PH018644 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.17 CCOC(=O)C1=CC(=NC=N1)N PH017297 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|0,0,2]=4 201 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 PH011695 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [1,1,0,0,0,0|0,0,2]=4 210 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl VBP00047 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.308 CCOC(=O)C1=C(N=CN=C1)Cl CDS020986 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.308 CCOC(=O)C1=C(N=NC=C1)O CDS021208 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,1,0,0,0,0|1,0,1]=4 229 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.8 C(=N/NC1=CC=CC=C1)\CCC S848905 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.8 CCCON=CC1=CC=CC=N1 S355178 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.8 CCCON=CC1=CN=CC=C1 S355186 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.8 CNCC/C=C/C1=CN=CC=C1 PH006788 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,1,0,0,0,0|0,0,1]=3 242 B12R1.8 ClCCO/N=C\C1=CC=NC=C1 T161683 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,1,0,0,0,0|0,0,2]=4 244 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,1,0,0,0,0|0,1,1]=4 246 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,1,0,0,0,0|0,0,1]=3 258 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.35 CCCCCC(=O)C1=CC=CO1 CDS001493 [0,1,0,0,1,0|2,0,0]=4 264 B14R1.33 C#CCOC(=O)NC1=CC=C(C=C1)Cl PH009320 [0,1,0,0,0,1|0,0,2]=4 265 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)Br S666610 [0,1,0,0,0,1|0,0,2]=4 266 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)C S666602 [0,1,0,0,0,1|0,0,2]=4 267 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)Cl S586293 [0,1,0,0,0,1|0,0,2]=4 268 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)F S601829 [0,1,0,0,0,1|0,0,2]=4 269 B14R1.33 CC1=CC=C(C=C1)NC(=O)NCCCl S752983 [0,1,0,0,0,1|2,0,0]=4 270 B14R1.33 CC1=CC=C(C=C1)NC(=O)OCCCl S612766 [0,1,0,0,0,1|1,0,0]=3 271 B14R1.33 CC1=CC=C(C=C1)OC(=O)NCCO R465992 [0,1,0,0,0,1|2,0,0]=4 272 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Br S665045 [0,1,0,0,0,1|1,0,0]=3 273 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)C S644374 [0,1,0,0,0,1|1,0,0]=3 274 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S279854 [0,1,0,0,0,1|1,0,0]=3 275 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S591343 [0,1,0,0,0,1|1,0,0]=3 276 B14R1.33 CCCNC(=O)SC1=CC=C(C=C1)Cl S844063 [0,1,0,0,0,1|1,0,0]=3 277 B14R1.33 CCCNC(=S)NC1=CC=C(C=C1)O S691496 [0,1,0,0,0,1|1,1,0]=4 278 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)C S643874 [0,1,0,0,0,1|0,0,0]=2 279 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)Cl S586285 [0,1,0,0,0,1|0,0,0]=2 280 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)Br S631655 [0,1,0,0,0,1|0,1,0]=3 281 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)C S652326 [0,1,0,0,0,1|0,1,0]=3 282 B14R1.33 CCONC(=O)NC1=CC=C(C=C1)Br R452750 [0,1,0,0,0,1|2,0,0]=4 283 B14R1.33 O=C(NC1=CC=C(C=C1)Br)OCCCl S628158 [0,1,0,0,0,1|1,0,0]=3 284 B14R1.33 O=C(NC1=CC=C(C=C1)Cl)OCCCl S612723 [0,1,0,0,0,1|1,0,0]=3 285 B14R1.33 O=C(NC1=CC=C(C=C1)F)OCCCl S714291 [0,1,0,0,0,1|1,0,0]=3 286 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl R468649 [0,1,0,0,0,1|2,0,0]=4 287 B14R1.34 C=CCOC(=O)NC1=CC(=CC=C1)Cl S628883 [0,1,0,0,0,1|0,0,2]=4 288 B14R1.34 CC1=CC=CC(=C1)NC(=O)CCCCl S525693 [0,1,0,0,0,1|2,0,0]=4 289 B14R1.34 CC1=CC=CC(=C1)NC(=O)NCCCl R592218 [0,1,0,0,0,1|2,0,0]=4 290 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)Br R348597 [0,1,0,0,0,1|1,0,0]=3 291 B14R1.34 CCCNC(=O)NC1=CC(=CC=C1)C S646490 [0,1,0,0,0,1|1,0,0]=3 292 B14R1.34 CCCNC(=O)NC1=CC=CC(=C1)Cl S610291 [0,1,0,0,0,1|1,0,0]=3 293 B14R1.34 CCCNC(=O)OC1=CC=CC(=C1)C S892149 [0,1,0,0,0,1|1,0,0]=3 294 B14R1.34 CCCOC(=O)NC1=CC(=CC=C1)C S606995 [0,1,0,0,0,1|0,0,0]=2 295 B14R1.34 CCCOC(=O)NC1=CC(=CC=C1)Cl S594253 [0,1,0,0,0,1|0,0,0]=2 296 B14R1.34 CCCSC(=O)NC1=CC(=CC=C1)C S646954 [0,1,0,0,0,1|0,1,0]=3 297 B14R1.34 CCCSC(=O)NC1=CC(=CC=C1)Cl S595829 [0,1,0,0,0,1|0,1,0]=3 298 B14R1.34 CCONC(=O)NC1=CC(=CC=C1)I R452661 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.34 O=C(NC1=CC(=CC=C1)Cl)OCCCl S594334 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.34 O=C(NC1=CC(=CC=C1)Cl)OCCCl S633836 [0,1,0,0,0,1|1,0,0]=3 301 B14R1.34 O=C(NCCCl)NC1=CC=CC(=C1)Cl PH011532 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.158 C/C=C/COC(=O)NC1=CC=CC=C1 S724408 [0,1,0,0,0,1|0,0,1]=3 303 B14R1.158 C=CCONC(=O)NC1=CC=CC=C1 R270733 [0,1,0,0,0,1|0,0,2]=4 304 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [0,1,0,0,0,1|1,0,0]=3 305 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,1,0,0,0,1|1,0,0]=3 306 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [0,1,0,0,0,1|1,1,0]=4 308 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [0,1,0,0,0,1|0,0,0]=2 309 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [0,1,0,0,0,1|0,1,0]=3 310 B14R1.158 CCCCSC(=S)NC1=CC=CC=C1 PH011582 [0,1,0,0,0,1|0,2,0]=4 311 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [0,1,0,0,0,1|0,0,0]=2 312 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [0,1,0,0,0,1|1,0,0]=3 313 B14R1.158 COCCOC(=O)NC1=CC=CC=C1 S644072 [0,1,0,0,0,1|0,0,0]=2 314 B14R1.158 N#CCCOC(=O)NC1=CC=CC=C1 S645192 [0,1,0,0,0,1|0,0,1]=3 315 B14R1.158 NCCCCC(=O)NC1=CC=NC=C1 R646067 [0,1,0,0,0,1|2,0,0]=4 316 B14R1.423 C=C(C)COC(=O)NC1=CC=CC=C1 PH008778 [0,1,0,0,0,1|0,0,1]=3 317 B14R1.423 CC(=NOC(=O)NC1=CC=CC=C1)C S580309 [0,1,0,0,0,1|1,0,1]=4 318 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 S643807 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [0,1,0,0,0,1|1,0,0]=3 320 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [0,1,0,0,0,1|2,0,0]=4 321 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [0,1,0,0,0,1|1,0,1]=4 322 B14R1.743 CCC(C)NC(=O)CC1=CC=CC=C1 R269298 [0,1,0,0,0,1|1,0,0]=3 323 B14R1.743 CCC(C)NC(=O)NC1=CC=CC=C1 R676438 [0,1,0,0,0,1|1,0,0]=3 324 B14R1.743 CCC(C)OC(=O)NC1=CC=CC=C1 S556017 [0,1,0,0,0,1|0,0,0]=2 325 B14R1.946 C=CCOC(=O)NC1=C(C=CC=C1)C S665630 [0,1,0,0,0,1|0,0,2]=4 326 B14R1.946 C=CCOC(=O)NC1=C(C=CC=C1)Cl S630136 [0,1,0,0,0,1|0,0,2]=4 327 B14R1.946 CC1=C(C=CC=C1)NC(=O)NCCCl R592838 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.946 CC1=C(C=CC=C1)NC(=O)OCCCl S607509 [0,1,0,0,0,1|1,0,0]=3 329 B14R1.946 CCCNC(=O)NC1=C(C=CC=C1)C S646563 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.946 CCCNC(=O)NC1=CC=CC=C1Cl S621625 [0,1,0,0,0,1|1,0,0]=3 331 B14R1.946 CCCOC(=O)NC1=C(C=CC=C1)C S644099 [0,1,0,0,0,1|0,0,0]=2 332 B14R1.946 CCCOC(=O)NC1=C(C=CC=C1)Cl S638528 [0,1,0,0,0,1|0,0,0]=2 333 B14R1.946 CCONC(=O)NC1=C(C=CC=C1)Br R270938 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.946 CCONC(=O)NC1=C(C=CC=C1)Cl R270741 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.946 O=C(NC1=C(C=CC=C1)Cl)OCCCl S633798 [0,1,0,0,0,1|1,0,0]=3 336 B14R1.946 O=C(NC1=C(C=CC=C1)F)OCCCl S711667 [0,1,0,0,0,1|1,0,0]=3 337 B14R1.4528 CCCCS(=O)(=O)CC1=CC=CC=C1 S799459 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.10 CCC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009104 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Br R269344 [0,2,0,0,0,0|1,0,0]=3 340 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Cl R269336 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.11 CCC(C)NC(=O)C1=CC(=CC=C1)Cl R704059 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.29 C(=O)CC(C)NC(=O)C1=CC=CC=C1 T297674 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,2,0,0,0,0|0,0,1]=3 345 B14R1.29 CCOC(=S)NC(=O)C1=CC=CC=C1 PH002438 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.29 CCSC(=S)NC(=O)C1=CC=CC=C1 PH009453 [0,2,0,0,0,0|1,0,1]=4 347 B14R1.58 CCC(C#N)NC(=O)C1=CC=CC=C1 L161780 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.58 CCC(CC)NC(=O)C1=CC=CC=C1 PH009455 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.58 CCC(CO)NC(=O)C1=CC=CC=C1 R425397 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.290 CC(C)(CO)NC(=O)C1=CC=CC=C1 S798576 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.415 CC(Cl)C(C)NC(=O)C1=CC=CC=C1 R738840 [0,2,0,0,0,0|1,0,0]=3 353 B14R1.415 C[C@H](Br)[C@H](C)OC(=O)C1=CC=CC=C1 T282758 [0,2,0,0,0,0|0,0,0]=2 354 B14R1.415 O=C(NC(O)C(Cl)Cl)C1=CC=CC=C1 S249548 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.415 O=C(NC(O)C(Cl)Cl)C1=CC=CC=C1 S49353 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)C L130613 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)Cl R703885 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)N PH015212 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)Cl EME00369 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl CDS004599 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)F CDS006139 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)C S820121 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C PH000103 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [0,2,0,0,0,0|0,0,0]=2 366 B14R1.678 CC1=CC=C(C=C1)C(=O)CCN(C)C S935220 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [0,2,0,0,0,0|1,0,0]=3 368 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC S369608 [0,2,0,0,0,0|1,0,0]=3 369 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO R644366 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.941 CCCNC(=O)C1=CC=C(C(=C1)Cl)Cl PH009061 [0,2,0,0,0,0|1,0,0]=3 371 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [0,2,0,0,0,0|0,0,0]=2 372 B14R1.2523 O=C(NCCBr)C1=CC=C(C=C1Cl)Cl PH015617 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.20 CCCCNC(=O)C1=CC(=CC=C1)Cl R704067 [0,2,0,0,0,0|1,0,0]=3 374 B14R1.20 CCCCNC(=O)C1=CC=CC(=C1)N S632309 [0,2,0,0,0,0|1,0,0]=3 375 B14R1.20 CCCO/N=C(\C)/C1=C[N+](=CC=C1)[O-] PH009172 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.149 CC(C)CNC(=O)C1=CC(=CC=C1)Cl R463310 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)F PH014108 [0,2,0,0,0,0|2,0,0]=4 378 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)O PH012110 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.918 NC1=CC=C(C=C1C(=O)NCCO)Cl S682233 [0,2,0,0,0,0|2,0,0]=4 380 B14R1.923 CCCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344400 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.923 O=C(NCCO)C1=CC(=CC(=C1)O)O R415391 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.38 C=CCCCCC(=O)C1=CC=CC=C1 T242071 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [0,2,0,0,0,0|0,0,0]=2 384 B14R1.38 O=C(NCCCCO)C1=CC=CC=C1 PH003561 [0,2,0,0,0,0|1,0,0]=3 385 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [0,2,0,0,0,0|0,0,0]=2 386 B14R1.38 O=CCCCCC(=O)C1=CC=CC=C1 T270512 [0,2,0,0,0,0|1,0,0]=3 387 B14R1.46 CCC/C=C/S(=O)(=O)C1=CC=CC=C1 S863246 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.46 O=S(=O)(NCCCBr)C1=CC=CC=C1 R582506 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.163 CCC(C)NNC(=O)C1=CC=NC=C1 PH007757 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S323772 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S327441 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [0,2,0,0,0,0|1,0,1]=4 393 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 S388793 [0,2,0,0,0,0|1,0,1]=4 394 B14R1.1035 CC1=C(C=CC=C1)C(=O)NCCC#N R467707 [0,2,0,0,0,0|1,0,1]=4 395 B14R1.1035 CCCC/N=C(/C)\C1=CC=CC=C1O S730106 [0,2,0,0,0,0|2,0,0]=4 396 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)Cl R703893 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.1035 COCCNC(=O)C1=CC=CN=C1Cl PH018700 [0,2,0,0,0,0|2,0,0]=4 398 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Br R573930 [0,2,0,0,0,0|1,0,0]=3 399 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Cl R703877 [0,2,0,0,0,0|1,0,0]=3 400 B14R1.160 CC(O)COC(=O)C1=CC=CC=C1O S680656 [0,2,0,0,0,0|0,0,0]=2 401 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,2,0,0,0,0|2,0,0]=4 402 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,2,0,0,0,0|2,0,0]=4 403 B14R1.3098 CC(C)(C)ONC(=O)C1=CC=CC=C1 S283754 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.3098 CC(C)([NH3+])COC(=O)C1=CC=CC=C1 L498602 [0,2,0,0,0,0|0,0,0]=2 405 B14R1.4230 CCCCS(=O)(=O)C1=CC=CC=C1C S803715 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.382 CCCOC1=CC=CC(=C1)C=O CDS007421 [0,0,1,1,0,0|2,0,0]=4 407 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,1,0,0|1,0,0]=3 408 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,1]=4 409 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,1]=4 410 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,1,0,0|0,1,1]=4 411 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,1,0,0|2,0,0]=4 412 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [1,0,0,1,0,0|1,0,0]=3 413 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [1,0,0,1,0,0|1,0,0]=3 414 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,1,0,0|1,0,0]=3 415 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,1,0,0|1,0,0]=3 416 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [1,0,0,1,0,0|2,0,0]=4 417 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,1,0,0|1,0,1]=4 418 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [1,0,0,1,0,0|2,0,0]=4 419 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [1,0,0,1,0,0|2,0,0]=4 420 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,0,0,1,0,0|0,0,0]=2 421 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,0,0,1,0,0|1,0,1]=4 422 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [1,0,0,1,0,0|1,0,0]=3 423 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [1,0,0,1,0,0|1,0,0]=3 424 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [1,0,0,1,0,0|1,0,0]=3 425 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|1,0,1]=4 426 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [0,0,0,1,0,1|1,0,1]=4 427 B14R2.6 C1=CC=C(C=C1)SC2CCCCO2 S865001 [0,0,0,1,0,1|1,0,1]=4 428 B14R2.24 O=C1CCCCC1C2=CC=CC=N2 PH013014 [0,0,0,1,0,1|2,0,0]=4 429 B14R2.67 CCCSC1=NC2=C(N1)C=CC=C2 S239305 [0,0,0,1,0,1|1,1,0]=4 430 B14R2.67 CCCSC1=NC2=C(O1)C=CC=C2 PH008622 [0,0,0,1,0,1|0,1,1]=4 431 B14R2.67 CCCSC1=NC2=C(S1)C=CC=C2 R345520 [0,0,0,1,0,1|0,2,0]=4 432 B14R2.277 CC1=C(C(=O)NC1)C2=CC=CC=C2 T320811 [0,0,0,1,0,1|1,0,1]=4 433 B14R2.277 CC1CCC(=O)N1C2=CC=CC=C2 PH009065 [0,0,0,1,0,1|1,0,0]=3 434 B14R2.287 CC1CNC(=S)NC2=CC=CC=C12 PH007501 [0,0,0,1,0,1|1,1,0]=4 435 B14R2.517 CCCN1C(=O)NC2=CC=CC=C12 PH010931 [0,0,0,1,0,1|1,0,0]=3 436 B14R2.517 CCC[N+]1=C(SC2=CC=CC=C12)C S655872 [0,0,0,1,0,1|2,0,0]=4 437 B14R2.517 N1C(=C(C2=C1C=CC=C2)CCC)C S363812 [0,0,0,1,0,1|2,0,0]=4 438 B14R2.517 O=C1SC2=C(N1CCCl)C=CC=C2 R307386 [0,0,0,1,0,1|2,0,0]=4 439 B14R2.9589 O=C(NC1=CC=CC=C1)C2CCC2 T313963 [0,0,0,1,0,1|1,0,0]=3 440 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,1,0,1,0,0|0,0,2]=4 441 B14R2.21 CC1=CC(=CC=C1)C2=CCCCC2 S356158 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.21 NC1=CC=CC(=C1)C2=NCCCO2 PH007875 [0,1,0,1,0,0|1,0,0]=3 443 B14R2.21 NC1=CC=CC(=C1)C2OCCCO2 TMT00020 [0,1,0,1,0,0|0,0,2]=4 444 B14R2.21 OC1=CC=CC(=C1)C2OCCCO2 TMT00070 [0,1,0,1,0,0|0,0,2]=4 445 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,1,0,1,0,0|1,0,1]=4 446 B14R2.1019 O=C1OC(CC2=C1C=CC=C2)CBr PH016304 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 T153575 [0,1,0,1,0,0|1,0,1]=4 448 B14R2.68 CC1=CC=C(C=C1)C2=CCCCC2 S356166 [0,1,0,1,0,0|2,0,0]=4 449 B14R2.68 OC1=CC=C(C=C1)C2=NCCCN2 L480819 [0,1,0,1,0,0|2,0,0]=4 450 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)Br EME00304 [0,1,0,1,0,0|1,0,0]=3 451 B14R2.8719 O=C1CCCOC2=CC(=CC=C12)Br T325880 [0,1,0,1,0,0|2,0,0]=4 452 B14R2.22 CC1CNC(=N1)C2=CC(=CC=C2)O L481025 [0,1,0,1,0,0|2,0,0]=4 453 B14R2.685 CC1=CC=CC2=C1OCCCC2=O T322490 [0,1,0,1,0,0|2,0,0]=4 454 B14R2.685 CC1=CC=CC2=C1OCCNC2=O T317489 [0,1,0,1,0,0|2,0,0]=4 455 B14R2.685 O=C1CCCCC2=C(C=CC=C12)Br PH001878 [0,1,0,1,0,0|1,0,0]=3 456 B14R2.5637 O=C1CCCOC2=CC=C(C=C12)Br SYX00219 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.5637 O=C1CCCOC2=CC=C(C=C12)F T319805 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [0,1,0,1,0,0|1,0,0]=3 460 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 S398888 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [0,1,0,1,0,0|0,0,0]=2 462 B14R2.5540 CC1(CCOCO1)C2=CC=CC=C2 S669628 [0,1,0,1,0,0|1,0,1]=4 463 B14R2.2014 O/N=C/1\CCCCC2=C1C=CC=C2 S296392 [0,1,0,1,0,0|1,0,1]=4 464 B14R2.2850 C(=O)C(C1=CC=CC=C1)C2CCC2 T289302 [0,1,0,1,0,0|1,0,1]=4 465 B14R2.4514 CC1CNN(C1=O)C2=CC=CC=C2 L203815 [0,1,0,1,0,0|2,0,0]=4 466 B14R2.403 CC1(COC(=N1)C2=CC=NC=C2)C PH008436 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.403 CC1(COC(=N1)C2=CN=CC=C2)C PH000341 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.279 CN1CCSC2=C(C1=O)C=CC=C2 S664774 [0,1,0,1,0,0|2,0,0]=4 469 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C12 PH011274 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.21545 O=C(C1=C(C=CC=C1)Cl)C2CCC2 PH000419 [0,1,0,1,0,0|1,0,0]=3 471 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [1,0,0,0,1,0|1,0,0]=3 472 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [1,0,0,0,1,0|1,0,0]=3 473 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [1,0,0,0,1,0|1,0,0]=3 474 B10R1.11 CCOC(=O)C1=CNC=N1 CVT00042 [1,0,0,0,1,0|2,0,0]=4 475 B12R1.1564 CCOC(=O)N1C=CC=CC=C1 T281778 [1,0,0,0,0,1|1,0,0]=3 476 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [0,0,0,0,0,2|1,0,0]=3 477 B14R1.156 CCCNC(=O)CCC1=NC=CC=C1 PH007774 [0,0,0,0,0,2|2,0,0]=4 478 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [0,0,0,0,0,2|1,0,0]=3 479 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [0,0,0,0,0,2|2,0,0]=4 480 B14R1.156 CCSNC(=O)NCC1=CC=CC=C1 T110957 [0,0,0,0,0,2|2,0,0]=4 481 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [0,0,0,0,0,2|2,0,0]=4 482 B14R1.156 O=C(CCCCl)NCC1=CC=CC=C1 S529494 [0,0,0,0,0,2|2,0,0]=4 483 B14R1.156 O=C(COC1=CC=CC=C1)NCCO S350796 [0,0,0,0,0,2|2,0,0]=4 484 B14R1.156 O=C(NCC1=CC=CC=C1)OCCI PH001946 [0,0,0,0,0,2|1,0,0]=3 485 B14R1.156 O=C(NNC1=CC=CC=C1)OCCCl PH009224 [0,0,0,0,0,2|1,0,0]=3