0 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 TS21169 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.143 c1cc(cnc1)NC(=O)Nc2cccnc2 TS44505 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.143 c1ccc(cc1)CC(=O)Cc2ccccc2 TS43834 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.143 c1ccc(cc1)CC(=O)Nc2ccccc2 TS44023 [0,0,0,0,0,0|1,0,0]=1 4 B17R2.143 c1ccc(cc1)CC(=O)Oc2ccccc2 TS21331 [0,0,0,0,0,0|1,0,0]=1 5 B17R2.143 c1ccc(cc1)CN(Cc2ccccc2)N TS21364 [0,0,0,0,0,0|2,0,0]=2 6 B17R2.143 c1ccc(cc1)CN(Cc2ccccc2)O TS21519 [0,0,0,0,0,0|1,0,1]=2 7 B17R2.143 c1ccc(cc1)CS(=O)Cc2ccccc2 TS24948 [0,0,0,0,0,0|1,0,0]=1 8 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS44030 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS67086 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS72909 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.143 c1ccc(cc1)NC(=O)Nc2ccccc2 TS44195 [0,0,0,0,0,0|2,0,0]=2 12 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccc2 TS24576 [0,0,0,0,0,0|2,1,0]=3 13 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccn2 TS24753 [0,0,0,0,0,0|3,1,0]=4 14 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 TS21650 [0,0,0,0,0,0|2,0,0]=2 15 B17R2.143 c1ccc(cc1)OP([O-])Oc2ccccc2 TS56442 [0,0,0,0,0,0|3,0,1]=4 16 B17R2.143 c1ccnc(c1)OC(=O)Oc2ccccn2 TS39379 [0,0,0,0,0,0|4,0,0]=4 17 B16R2.2256 c1cc(cnc1)CNCc2cccnc2 TS37761 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.2256 c1ccc(cc1)C=NNc2ccccc2 TS18288 [1,0,0,0,0,0|2,0,1]=4 19 B16R2.2256 c1ccc(cc1)CCCc2ccccc2 TS18318 [1,0,0,0,0,0|0,0,1]=2 20 B16R2.2256 c1ccc(cc1)CCCc2ccccn2 TS53881 [1,0,0,0,0,0|1,0,1]=3 21 B16R2.2256 c1ccc(cc1)CCCc2ccncc2 TS16882 [1,0,0,0,0,0|1,0,1]=3 22 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 TS18647 [1,0,0,0,0,0|1,0,1]=3 23 B16R2.2256 c1ccc(cc1)CN=Cc2ccccc2 TS18110 [1,0,0,0,0,0|1,0,1]=3 24 B16R2.2256 c1ccc(cc1)CN=Cc2cccnc2 TS18291 [1,0,0,0,0,0|2,0,1]=4 25 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 TS53537 [1,0,0,0,0,0|1,0,0]=2 26 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 TS54058 [1,0,0,0,0,0|2,0,0]=3 27 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 TS54057 [1,0,0,0,0,0|2,0,0]=3 28 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 TS54062 [1,0,0,0,0,0|2,0,0]=3 29 B16R2.2256 c1ccc(cc1)COCc2ccccc2 TS36464 [1,0,0,0,0,0|1,0,0]=2 30 B16R2.2256 c1ccc(cc1)COCc2ccccc2 TS54047 [1,0,0,0,0,0|1,0,0]=2 31 B16R2.2256 c1ccc(cc1)CPCc2ccccc2 TS21676 [1,0,0,0,0,0|1,0,0]=2 32 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 TS21741 [1,0,0,0,0,0|1,0,0]=2 33 B16R2.2256 c1ccc(cc1)C[Hg]Cc2ccccc2 TS67265 [1,0,0,0,0,0|1,0,0]=2 34 B16R2.2256 c1ccc(cc1)NC=Nc2ccccc2 TS18297 [1,0,0,0,0,0|2,0,0]=3 35 B16R2.2256 c1ccc(cc1)NN=Nc2ccccc2 TS18462 [1,0,0,0,0,0|3,0,0]=4 36 B16R2.2256 c1ccc(cc1)OCOc2ccccc2 TS19010 [1,0,0,0,0,0|2,0,1]=4 37 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 TS53372 [1,0,0,0,0,0|2,0,1]=4 38 B16R2.2256 c1cnccc1CCCc2ccncc2 TS54064 [1,0,0,0,0,0|2,0,1]=4 39 B16R2.2256 c1cnccc1CNCc2ccncc2 TS37753 [1,0,0,0,0,0|3,0,0]=4 40 B18R2.199 c1ccc(cc1)CC(=NO)Cc2ccccc2 TS24026 [0,1,0,0,0,0|0,0,1]=2 41 B18R2.199 c1ccc(cc1)CN(Cc2ccccc2)C#N TS23521 [0,1,0,0,0,0|2,0,0]=3 42 B18R2.266 Cc1ccc(cc1)OC(=O)Cc2ccccc2 TS52350 [0,1,0,0,0,0|1,0,0]=2 43 B18R2.266 c1ccc(cc1)CC(=O)Cc2ccc(cc2)Cl TS27239 [0,1,0,0,0,0|0,0,0]=1 44 B18R2.266 c1ccc(cc1)NC(=O)Cc2ccc(cc2)O TS52514 [0,1,0,0,0,0|1,0,0]=2 45 B18R2.266 c1ccc(cc1)NC(=S)Nc2ccc(cc2)Cl TS68665 [0,1,0,0,0,0|2,1,0]=4 46 B18R2.3983 c1ccc(cc1)NC(=S)Nc2ccccc2Cl TS68666 [0,1,0,0,0,0|2,1,0]=4 47 B18R2.6478 Cc1cccc(c1)OC(=O)Cc2ccccc2 TS52349 [0,1,0,0,0,0|1,0,0]=2 48 B18R2.6478 c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl TS62492 [0,1,0,0,0,0|3,0,0]=4 49 B18R2.7204 c1ccc(cc1)NC(=S)N(c2ccccc2)N TS27042 [0,1,0,0,0,0|2,1,0]=4 50 B18R2.32233 CP(=O)(Oc1ccccc1)Oc2ccccc2 TS62537 [0,1,0,0,0,0|3,0,0]=4 51 B18R2.32233 C[N+](C)(Cc1ccccc1)Cc2ccccc2 TS68549 [0,1,0,0,0,0|2,0,0]=3 52 B18R2.32233 c1ccc(cc1)CP(=O)(Cc2ccccc2)Cl TS16801 [0,1,0,0,0,0|1,0,0]=2 53 B18R2.32233 c1ccc(cc1)CS(=O)(=O)Cc2ccccc2 TS27485 [0,1,0,0,0,0|1,0,0]=2 54 B18R2.32233 c1ccc(cc1)NP(=O)(Oc2ccccc2)Cl TS30459 [0,1,0,0,0,0|3,0,0]=4 55 B18R2.32233 c1ccc(cc1)OP(=O)(N)Oc2ccccc2 TS27882 [0,1,0,0,0,0|3,0,0]=4 56 B18R2.32233 c1ccc(cc1)OP(=O)(Oc2ccccc2)Cl TS22956 [0,1,0,0,0,0|3,0,0]=4 57 B18R2.32233 c1ccc(cc1)OP(=O)([O-])Oc2ccccc2 TS62818 [0,1,0,0,0,0|3,0,0]=4 58 B18R3.182 Cc1c(c2ccccc2[nH]1)c3ccccc3 TS20411 [0,0,0,1,0,0|2,0,1]=4 59 B18R3.182 Cc1nc2ccccc2n1c3ccccc3 TS20610 [0,0,0,1,0,0|3,0,0]=4 60 B18R3.182 c1ccc(cc1)C2c3ccccc3NC2=O TS43657 [0,0,0,1,0,0|1,0,0]=2 61 B18R3.182 c1ccc(cc1)N2c3ccccc3CC2=O TS59340 [0,0,0,1,0,0|1,0,0]=2 62 B18R3.12875 c1ccc(cc1)CN2Cc3ccccc3C2 TS43665 [0,0,0,1,0,0|2,0,0]=3 63 B18R3.12875 c1ccc(cc1)Cc2[nH]c3ccccc3n2 TS43513 [0,0,0,1,0,0|2,0,0]=3 64 B18R3.12875 c1ccc(cc1)NC2Cc3ccccc3C2 TS43667 [0,0,0,1,0,0|2,0,1]=4 65 B18R3.12875 c1ccc(cc1)Nc2[nH]c3ccccc3n2 TS20761 [0,0,0,1,0,0|3,0,0]=4 66 B16R2.88 CN(Cc1ccccc1)c2ccccc2 TS53890 [0,0,0,0,1,0|2,0,0]=3 67 B16R2.88 c1ccc(cc1)C(=N)Nc2ccccc2 TS18289 [0,0,0,0,1,0|2,0,0]=3 68 B16R2.88 c1ccc(cc1)C(=O)C[n+]2ccccc2 TS31291 [0,0,0,0,1,0|1,0,0]=2 69 B16R2.88 c1ccc(cc1)C(=O)Cc2ccncn2 TS18628 [0,0,0,0,1,0|2,0,0]=3 70 B16R2.88 c1ccc(cc1)C(=O)Cc2ncccn2 TS59913 [0,0,0,0,1,0|2,0,0]=3 71 B16R2.88 c1ccc(cc1)C(=O)Nc2ccccc2 TS53870 [0,0,0,0,1,0|1,0,0]=2 72 B16R2.88 c1ccc(cc1)C(=O)Nc2ccncc2 TS18625 [0,0,0,0,1,0|2,0,0]=3 73 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 TS18613 [0,0,0,0,1,0|1,0,0]=2 74 B16R2.88 c1ccc(cc1)C(=S)Nc2ccccc2 TS44382 [0,0,0,0,1,0|1,1,0]=3 75 B16R2.88 c1ccc(cc1)C=[N+](c2ccccc2)[O-] TS53850 [0,0,0,0,1,0|1,0,2]=4 76 B16R2.88 c1ccc(cc1)CC(=O)c2ccccc2 TS18287 [0,0,0,0,1,0|0,0,0]=1 77 B16R2.88 c1ccc(cc1)CC(=O)c2ccccn2 TS53868 [0,0,0,0,1,0|1,0,0]=2 78 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 TS85356 [0,0,0,0,1,0|1,0,0]=2 79 B16R2.88 c1ccc(cc1)CC(c2ccccc2)N TS00351 [0,0,0,0,1,0|1,0,1]=3 80 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS54060 [0,0,0,0,1,0|2,0,0]=3 81 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS56580 [0,0,0,0,1,0|2,0,0]=3 82 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS18629 [0,0,0,0,1,0|2,0,0]=3 83 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS25653 [0,0,0,0,1,0|2,0,0]=3 84 B16R2.88 c1ccc(cc1)NC(=O)c2ccncc2 TS18634 [0,0,0,0,1,0|2,0,0]=3 85 B16R2.88 c1ccc(cc1)OC(=O)c2cccnc2 TS18804 [0,0,0,0,1,0|2,0,0]=3 86 B16R2.88 c1ccc(cc1)OC(=O)c2ccncc2 TS18802 [0,0,0,0,1,0|2,0,0]=3 87 B16R2.88 c1ccc(cc1)SC(=O)c2cnccn2 TS22072 [0,0,0,0,1,0|3,0,0]=4 88 B18R2.2429 c1ccc(cc1)C=CC(=O)Oc2ccccc2 TS50480 [0,0,0,0,0,1|1,0,1]=3 89 B18R2.2429 c1ccc(cc1)CC(=O)OCc2ccccc2 TS32811 [0,0,0,0,0,1|0,0,0]=1 90 B18R2.2429 c1ccc(cc1)CNC(=S)Nc2ccccc2 TS26896 [0,0,0,0,0,1|1,1,0]=3 91 B18R2.2429 c1ccc(cc1)NC(=O)NNc2ccccc2 TS52519 [0,0,0,0,0,1|2,0,0]=3 92 B18R2.2429 c1ccc(cc1)NC(=S)NNc2ccccc2 TS27041 [0,0,0,0,0,1|2,1,0]=4 93 B18R2.2429 c1ccc(cc1)NCC(=O)Nc2ccccc2 TS24212 [0,0,0,0,0,1|1,0,0]=2 94 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 TS21172 [1,1,0,0,0,0|1,0,0]=3 95 B17R2.216 c1cc(cnc1)CNCc2ccc(cc2)Cl TS53402 [1,1,0,0,0,0|2,0,0]=4 96 B17R2.216 c1cc(cnc1)CNCc2ccc(cc2)F TS49116 [1,1,0,0,0,0|2,0,0]=4 97 B17R2.216 c1ccc(cc1)C=CCc2ccc(cc2)O TS43832 [1,1,0,0,0,0|0,0,1]=3 98 B17R2.216 c1ccc(cc1)CCCc2ccn(=O)cc2 TS21521 [1,1,0,0,0,0|1,0,1]=4 99 B17R2.216 c1ccc(cc1)CNCc2ccc(cc2)Cl TS25138 [1,1,0,0,0,0|1,0,0]=3 100 B17R2.216 c1ccc(cc1)CNCc2ccc(cc2)F TS44698 [1,1,0,0,0,0|1,0,0]=3 101 B17R2.2342 C=C(CCc1ccccc1)c2ccccc2 TS43524 [1,1,0,0,0,0|0,0,2]=4 102 B17R2.2342 C[C@@H](c1ccccc1)NCc2ccccc2 TS46629 [1,1,0,0,0,0|1,0,0]=3 103 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 TS27677 [1,1,0,0,0,0|1,0,0]=3 104 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 TS33116 [1,1,0,0,0,0|1,0,0]=3 105 B17R2.2342 c1ccc(cc1)C=CC(=O)c2ccccc2 TS07884 [1,1,0,0,0,0|0,0,2]=4 106 B17R2.2342 c1ccc(cc1)C=CC(c2ccccc2)O TS20974 [1,1,0,0,0,0|0,0,1]=3 107 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 TS43844 [1,1,0,0,0,0|0,0,2]=4 108 B17R2.2342 c1ccc(cc1)CNC(=O)c2ccccc2 TS44011 [1,1,0,0,0,0|1,0,1]=4 109 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 TS21330 [1,1,0,0,0,0|1,0,1]=4 110 B17R2.2342 c1ccc(cc1)CSC(=O)c2ccccc2 TS24569 [1,1,0,0,0,0|1,0,1]=4 111 B17R2.2342 c1ccc(cc1)CSC(=S)c2ccccc2 TS27226 [1,1,0,0,0,0|1,0,1]=4 112 B17R2.3956 Cc1ccccc1CNCc2ccccc2 TS21177 [1,1,0,0,0,0|1,0,0]=3 113 B17R2.3956 c1ccc(c(c1)CNCc2ccccn2)Cl TS53400 [1,1,0,0,0,0|2,0,0]=4 114 B17R2.3956 c1ccc(cc1)CNCc2ccccc2Cl TS25136 [1,1,0,0,0,0|1,0,0]=3 115 B17R2.3956 c1ccc(cc1)CNCc2ccccc2F TS44700 [1,1,0,0,0,0|1,0,0]=3 116 B17R2.5301 c1ccc(cc1)CNCc2cccc(c2)Br TS33782 [1,1,0,0,0,0|1,0,0]=3 117 B17R2.5301 c1ccc(cc1)CNCc2cccc(c2)Cl TS25137 [1,1,0,0,0,0|1,0,0]=3 118 B17R2.5301 c1ccc(cc1)CNCc2cccc(c2)F TS44699 [1,1,0,0,0,0|1,0,0]=3 119 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 TS21174 [0,1,0,0,1,0|2,0,0]=4 120 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 TS21176 [0,1,0,0,1,0|1,0,1]=4 121 B17R2.162 c1ccc(cc1)C=C(C#N)c2ccccc2 TS20007 [0,1,0,0,1,0|1,0,1]=4 122 B17R2.162 c1ccc(cc1)CC(=NO)c2ccccc2 TS94258 [0,1,0,0,1,0|0,0,1]=3 123 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 TS43841 [0,1,0,0,1,0|0,0,0]=2 124 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 TS21151 [0,1,0,0,1,0|1,0,0]=3 125 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 TS44017 [0,1,0,0,1,0|1,0,0]=3 126 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Br TS31090 [0,1,0,0,1,0|1,0,0]=3 127 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Cl TS53236 [0,1,0,0,1,0|1,0,0]=3 128 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)F TS46718 [0,1,0,0,1,0|1,0,0]=3 129 B17R2.192 c1cc(ccc1C(=O)Cc2ccncn2)F TS46719 [0,1,0,0,1,0|2,0,0]=4 130 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Br TS33677 [0,1,0,0,1,0|0,0,0]=2 131 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Cl TS09002 [0,1,0,0,1,0|0,0,0]=2 132 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)F TS60400 [0,1,0,0,1,0|0,0,0]=2 133 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)O TS01377 [0,1,0,0,1,0|0,0,0]=2 134 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)Cl TS53234 [0,1,0,0,1,0|1,0,0]=3 135 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)N TS44340 [0,1,0,0,1,0|1,0,0]=3 136 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)O TS21661 [0,1,0,0,1,0|1,0,0]=3 137 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 TS43845 [0,1,0,0,1,0|0,0,0]=2 138 B17R2.209 Cc1ccc(cc1)CC(=O)c2cccnc2 TS21153 [0,1,0,0,1,0|1,0,0]=3 139 B17R2.209 Cc1ccc(cc1)CC(c2ccccc2)N TS21173 [0,1,0,0,1,0|1,0,1]=4 140 B17R2.209 Cc1ccc(cc1)OC(=O)c2ccccc2 TS21317 [0,1,0,0,1,0|1,0,0]=3 141 B17R2.209 c1cc(ccc1CC(=O)c2ccncc2)F TS21864 [0,1,0,0,1,0|1,0,0]=3 142 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)Br TS33682 [0,1,0,0,1,0|0,0,0]=2 143 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)F TS21665 [0,1,0,0,1,0|0,0,0]=2 144 B17R2.209 c1ccc(cc1)C(=O)Nc2ccc(cc2)N TS21335 [0,1,0,0,1,0|1,0,0]=3 145 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)Cl TS25302 [0,1,0,0,1,0|1,0,0]=3 146 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)O TS21663 [0,1,0,0,1,0|1,0,0]=3 147 B17R2.209 c1ccnc(c1)C(=O)Nc2ccc(cc2)Cl TS94812 [0,1,0,0,1,0|2,0,0]=4 148 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 TS44016 [0,1,0,0,1,0|1,0,0]=3 149 B17R2.3417 c1ccc(c(c1)C(=O)Cc2ccncc2)Cl TS53232 [0,1,0,0,1,0|1,0,0]=3 150 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2Br TS33675 [0,1,0,0,1,0|0,0,0]=2 151 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2N TS21149 [0,1,0,0,1,0|0,0,0]=2 152 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2Cl TS53233 [0,1,0,0,1,0|1,0,0]=3 153 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2I TS61753 [0,1,0,0,1,0|1,0,0]=3 154 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2N TS21333 [0,1,0,0,1,0|1,0,0]=3 155 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2O TS44344 [0,1,0,0,1,0|1,0,0]=3 156 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2N TS21492 [0,1,0,0,1,0|1,0,0]=3 157 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2O TS21660 [0,1,0,0,1,0|1,0,0]=3 158 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 TS44025 [0,1,0,0,1,0|1,0,0]=3 159 B17R2.3426 c1ccc(c(c1)N)NC(=O)c2cccnc2 TS21508 [0,1,0,0,1,0|2,0,0]=4 160 B17R2.3426 c1ccc(c(c1)N)NC(=O)c2ccncc2 TS21506 [0,1,0,0,1,0|2,0,0]=4 161 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 TS44026 [0,1,0,0,1,0|1,0,0]=3 162 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 TS44027 [0,1,0,0,1,0|1,0,0]=3 163 B17R2.5273 c1ccc(cc1)CC(=O)c2cccc(c2)F TS44508 [0,1,0,0,1,0|0,0,0]=2 164 B17R2.5273 c1ccc(cc1)OC(=O)c2cccc(c2)O TS21646 [0,1,0,0,1,0|1,0,0]=3 165 B17R2.5293 c1ccc(cc1)C(=O)Cc2cccc(c2)F TS21664 [0,1,0,0,1,0|0,0,0]=2 166 B17R2.5293 c1ccc(cc1)C(=O)Oc2cccc(c2)O TS21651 [0,1,0,0,1,0|1,0,0]=3 167 B17R2.10205 C=C(c1ccccc1)C(=C)c2ccccc2 TS20251 [0,1,0,0,1,0|1,0,1]=4 168 B17R2.10205 c1ccc(cc1)C(=C(c2ccccc2)F)F TS49081 [0,1,0,0,1,0|1,0,1]=4 169 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccccc2 TS43805 [0,1,0,0,1,0|0,0,1]=3 170 B17R2.10205 c1ccc(cc1)C(=O)N(c2ccccc2)O TS21493 [0,1,0,0,1,0|1,0,0]=3 171 B17R2.10205 c1ccc(cc1)C(=S)C(=S)c2ccccc2 TS83702 [0,1,0,0,1,0|0,1,1]=4 172 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Br TS55082 [0,1,0,0,1,0|0,0,0]=2 173 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Cl TS24987 [0,1,0,0,1,0|0,0,0]=2 174 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS44178 [0,1,0,0,1,0|0,0,0]=2 175 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS67579 [0,1,0,0,1,0|0,0,0]=2 176 B17R2.10205 c1ccc(cc1)C(C(c2ccccc2)Br)Br TS64208 [0,1,0,0,1,0|1,0,1]=4 177 B17R2.10205 c1ccc(cc1)C(C(c2ccccc2)N)N TS21366 [0,1,0,0,1,0|1,0,1]=4 178 B17R2.10205 c1ccc(cc1)[C@@H](C(=O)c2ccccc2)O TS21321 [0,1,0,0,1,0|0,0,0]=2 179 B17R2.10205 c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N TS07984 [0,1,0,0,1,0|0,0,2]=4 180 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N TS08639 [0,1,0,0,1,0|1,0,1]=4 181 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)O)O TS44519 [0,1,0,0,1,0|0,0,2]=4 182 B17R2.10205 c1ccc(cc1)[C@H](C(=O)c2ccccc2)O TS44183 [0,1,0,0,1,0|0,0,0]=2 183 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N TS59790 [0,1,0,0,1,0|1,0,1]=4 184 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N TS94531 [0,1,0,0,1,0|1,0,1]=4 185 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)N TS44365 [0,1,0,0,1,0|0,0,2]=4 186 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O TS21698 [0,1,0,0,1,0|0,0,2]=4 187 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)N TS07986 [0,1,0,0,1,0|0,0,2]=4 188 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)O TS21697 [0,1,0,0,1,0|0,0,2]=4 189 B17R2.10205 c1ccnc(c1)C(C(=O)c2ccccn2)O TS44495 [0,1,0,0,1,0|2,0,0]=4 190 B17R2.20249 c1ccc(cc1)CS(=O)(=O)c2ccccc2 TS53357 [0,1,0,0,1,0|1,0,0]=3 191 B17R2.20249 c1ccc(cc1)NS(=O)(=O)c2ccccc2 TS25419 [0,1,0,0,1,0|2,0,0]=4 192 B17R2.20249 c1ccc(cc1)OS(=O)(=O)c2ccccc2 TS25561 [0,1,0,0,1,0|2,0,0]=4 193 B19R2.286 c1ccc(cc1)NC(=O)C=Cc2ccc(cc2)Cl TS29124 [0,1,0,0,0,1|1,0,1]=4 194 B19R2.4482 c1ccc(cc1)NC(=O)CSc2ccccc2N TS29244 [0,1,0,0,0,1|1,0,0]=3 195 B19R2.8924 C=C(Cc1ccccc1)C(=C)Cc2ccccc2 TS56547 [0,1,0,0,0,1|1,0,0]=3 196 B19R2.8924 C[C@@H](Cc1ccccc1)N(C)Cc2ccccc2 TS57272 [0,1,0,0,0,1|1,0,1]=4 197 B19R2.8924 c1ccc(cc1)NC(=O)C(=O)Nc2ccccc2 TS57389 [0,1,0,0,0,1|1,0,1]=4 198 B19R2.8924 c1ccc(cc1)OC(=O)C(=O)Oc2ccccc2 TS57673 [0,1,0,0,0,1|1,0,1]=4 199 B19R2.8929 c1ccc(cc1)C(=O)CC(=O)Nc2ccccc2 TS57254 [0,1,0,0,0,1|1,0,0]=3 200 B19R2.11857 c1ccc(cc1)CCC(=O)Nc2ccc(cc2)Br TS56340 [0,1,0,0,0,1|1,0,0]=3 201 B19R2.11857 c1ccc(cc1)COC(=O)Cc2ccc(cc2)O TS26852 [0,1,0,0,0,1|0,0,0]=2 202 B19R2.16158 c1ccc(cc1)COC(=O)C(c2ccccc2)O TS26856 [0,1,0,0,0,1|0,0,0]=2 203 B19R2.16158 c1ccc(cc1)COC(=O)[C@@H](c2ccccc2)O TS57687 [0,1,0,0,0,1|0,0,0]=2 204 B19R2.388 CCCN(Cc1ccccc1)Cc2ccccc2 TS57273 [0,2,0,0,0,0|2,0,0]=4 205 B19R2.388 c1ccc(cc1)CN(CCCl)Cc2ccccc2 TS35878 [0,2,0,0,0,0|2,0,0]=4 206 B19R2.388 c1ccc(cc1)CN(CCN)Cc2ccccc2 TS26574 [0,2,0,0,0,0|2,0,0]=4 207 B19R2.388 c1ccc(cc1)CN(CCO)Cc2ccccc2 TS57572 [0,2,0,0,0,0|1,0,1]=4 208 B19R2.4600 CC(=O)C(Cc1ccccc1)Cc2ccccc2 TS26238 [0,2,0,0,0,0|0,0,1]=3 209 B19R2.4600 c1ccc(cc1)CN(Cc2ccccc2)C(=S)N TS28956 [0,2,0,0,0,0|1,1,0]=4 210 B19R2.4600 c1ccc(cc1)CN(Cc2ccccc2)C(=S)[S-] TS35812 [0,2,0,0,0,0|1,1,0]=4 211 B19R2.55 c1ccc(cc1)OC(=O)Nc2ccc(cc2)C#N TS57086 [0,2,0,0,0,0|2,0,0]=4 212 B19R2.281 c1ccc(cc1)CC(=O)Nc2ccc(c(c2)Cl)Cl TS34177 [0,2,0,0,0,0|1,0,0]=3 213 B19R2.291 Cc1ccc(cc1)OC(=O)Oc2ccc(cc2)C TS57685 [0,2,0,0,0,0|2,0,0]=4 214 B19R2.291 c1cc(ccc1CN(Cc2ccc(cc2)Cl)O)Cl TS34391 [0,2,0,0,0,0|1,0,1]=4 215 B19R2.291 c1cc(ccc1NC(=O)Nc2ccc(cc2)Cl)Cl TS54404 [0,2,0,0,0,0|2,0,0]=4 216 B19R2.4181 c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)Br TS76236 [0,2,0,0,0,0|1,0,0]=3 217 B19R2.3385 COc1ccccc1OC(=O)Cc2ccccc2 TS57695 [0,2,0,0,0,0|1,0,0]=3 218 B19R2.50170 Cc1ccccc1NC(=O)Nc2ccccc2C TS57412 [0,2,0,0,0,0|2,0,0]=4 219 B19R2.50170 c1ccc(c(c1)NC(=O)Nc2ccccc2Br)Br TS66805 [0,2,0,0,0,0|2,0,0]=4 220 B19R2.4384 Cc1cccc(c1)OC(=O)Oc2cccc(c2)C TS26857 [0,2,0,0,0,0|2,0,0]=4 221 B19R2.21040 CN(c1ccccc1)C(=O)N(C)c2ccccc2 TS57414 [0,2,0,0,0,0|2,0,0]=4 222 B19R2.21040 c1ccc(cc1)C(=O)C(=O)C(=O)c2ccccc2 TS26192 [0,2,0,0,0,0|0,0,2]=4 223 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 TS51845 [1,0,0,1,0,0|1,0,1]=4 224 B17R3.8 c1ccc(cc1)n2ccc3c2cccc3 TS00510 [1,0,0,1,0,0|1,0,1]=4 225 B17R3.8 c1ccc(cc1)n2cnc3c2cccc3 TS17903 [1,0,0,1,0,0|2,0,0]=4 226 B17R3.1927 c1ccc(cc1)C2CC2c3ccccc3 TS17924 [1,0,0,1,0,0|0,0,1]=3 227 B17R3.1927 c1ccc(cc1)[C@@H]2[C@@H](O2)c3ccccc3 TS53695 [1,0,0,1,0,0|1,0,0]=3 228 B17R3.8708 c1ccc(cc1)C2=Cc3ccccc3C2 TS51530 [0,0,0,1,1,0|1,0,0]=3 229 B17R3.8708 c1ccc(cc1)N2Cc3ccccc3C2 TS18102 [0,0,0,1,1,0|2,0,0]=4 230 B17R3.8708 c1ccc(cc1)N2Cc3ccccc3C2 TS43658 [0,0,0,1,1,0|2,0,0]=4 231 B17R3.8708 c1ccc(cc1)c2[nH]c3ccccc3n2 TS07970 [0,0,0,1,1,0|2,0,0]=4 232 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 TS65637 [0,0,0,1,1,0|1,0,1]=4 233 B17R3.8708 c1ccc(cc1)c2nc3ccccc3o2 TS18081 [0,0,0,1,1,0|1,0,1]=4 234 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 TS21160 [0,0,0,1,1,0|1,1,0]=4 235 B17R3.54615 Cc1cc2ccccc2c3c1cccc3 TS51519 [0,0,0,1,1,0|1,0,1]=4 236 B17R3.54615 c1ccc2c(c1)-c3ccccc3P(=O)O2 TS01326 [0,0,0,1,1,0|2,0,0]=4 237 B17R3.54615 c1ccc2c(c1)-c3ccccc3S(=O)O2 TS49119 [0,0,0,1,1,0|2,0,0]=4 238 B17R3.54615 c1ccc2c(c1)c3ccccc3[nH]c2=O TS08764 [0,0,0,1,1,0|1,0,0]=3 239 B17R3.54615 c1ccc2c(c1)c3ccccc3n(=O)n2 TS53660 [0,0,0,1,1,0|2,0,0]=4 240 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Br TS29039 [0,0,0,1,1,0|1,0,1]=4 241 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Cl TS21415 [0,0,0,1,1,0|1,0,1]=4 242 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)I TS59249 [0,0,0,1,1,0|1,0,1]=4 243 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)N TS17708 [0,0,0,1,1,0|1,0,1]=4 244 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)O TS17868 [0,0,0,1,1,0|0,0,2]=4 245 B19R3.288 c1ccc(cc1)Cn2c3ccccc3nc2N TS50349 [0,0,0,1,0,1|2,0,0]=4 246 B19R3.19215 c1ccc(cc1)Cc2ccc3ccccc3c2 TS22454 [0,0,0,1,0,1|1,0,1]=4 247 B19R3.19215 c1ccc(cc1)Cc2ccc3ccccc3n2 TS49636 [0,0,0,1,0,1|1,0,1]=4 248 B19R3.182 Cc1c2ccccc2[nH]c1Cc3ccccc3 TS23341 [0,1,0,1,0,0|1,0,1]=4 249 B19R3.241821 c1ccc2c(c1)[nH]c(n2)Cc3ccc(cc3)Br TS35035 [0,1,0,1,0,0|2,0,0]=4 250 B19R3.241821 c1ccc2c(c1)[nH]c(n2)Cc3ccc(cc3)Cl TS57795 [0,1,0,1,0,0|2,0,0]=4 251 B19R3.291 c1ccc(cc1)c2cc3ccccc3oc2=O TS23457 [0,1,0,1,0,0|1,0,1]=4 252 B19R3.289 CN1c2ccccc2-c3ccccc3CC1=O TS50339 [0,1,0,1,0,0|1,0,0]=3 253 B19R3.17406 CC1c2ccccc2N(C1=O)c3ccccc3 TS50335 [0,1,0,1,0,0|1,0,0]=3 254 B19R3.17406 c1ccc(cc1)N2c3ccccc3C(=O)C2=O TS23662 [0,1,0,1,0,0|1,0,1]=4 255 B19R3.1799922 c1ccc(cc1)C(c2[nH]c3ccccc3n2)O TS68427 [0,1,0,1,0,0|2,0,0]=4 256 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 TS14253 [1,0,0,0,1,0|0,0,2]=4 257 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47967 [1,0,0,0,1,0|0,0,1]=3 258 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47969 [1,0,0,0,1,0|0,0,1]=3 259 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [1,0,0,0,1,0|1,0,1]=4 260 B15R2.2195 c1ccc(cc1)C=Cc2ccncc2 TS14826 [1,0,0,0,1,0|1,0,1]=4 261 B15R2.2195 c1ccc(cc1)C=Nc2ccccc2 TS14823 [1,0,0,0,1,0|1,0,0]=3 262 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [1,0,0,0,1,0|0,0,0]=2 263 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [1,0,0,0,1,0|1,0,0]=3 264 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS55056 [1,0,0,0,1,0|2,0,0]=4 265 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS67971 [1,0,0,0,1,0|2,0,0]=4 266 B15R2.2195 c1ccc(cc1)CNc2cccnc2 TS15297 [1,0,0,0,1,0|2,0,0]=4 267 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS60375 [1,0,0,0,1,0|2,0,0]=4 268 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS67972 [1,0,0,0,1,0|2,0,0]=4 269 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [1,0,0,0,1,0|1,0,0]=3 270 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [1,0,0,0,1,0|1,0,0]=3 271 B15R2.2195 c1ccc(cc1)N=Nc2ccccc2 TS14988 [1,0,0,0,1,0|2,0,0]=4 272 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS08604 [1,0,0,0,1,0|2,0,0]=4 273 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS49886 [1,0,0,0,1,0|2,0,0]=4 274 B15R2.2195 c1ccc(cc1)NNc2ccccc2 TS46966 [1,0,0,0,1,0|2,0,0]=4 275 B15R2.2195 c1ccc(cc1)SSc2ccccc2 TS22490 [1,0,0,0,1,0|2,0,0]=4 276 B15R2.2195 c1cnccc1CCc2ccncc2 TS15309 [1,0,0,0,1,0|2,0,0]=4 277 B15R2.2196 c1ccc(cc1)CNCc2ccco2 TS15810 [1,0,0,0,1,0|2,0,0]=4 278 B15R2.2196 c1ccc(cc1)CNCc2cccs2 TS38494 [1,0,0,0,1,0|2,0,0]=4 279 B15R2.1259 c1ccc(cc1)C(=O)C[n+]2ccsc2 TS34707 [0,0,0,0,2,0|2,0,0]=4 280 B15R2.2226 C=C(c1ccccc1)c2ccccc2 TS47963 [0,0,0,0,2,0|1,0,0]=3 281 B15R2.2226 CC(c1ccccc1)c2ccccc2 TS15023 [0,0,0,0,2,0|1,0,1]=4 282 B15R2.2226 CN(c1ccccc1)c2ccccc2 TS01598 [0,0,0,0,2,0|2,0,0]=4 283 B15R2.2226 CP(c1ccccc1)c2ccccc2 TS37893 [0,0,0,0,2,0|2,0,0]=4 284 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS01883 [0,0,0,0,2,0|1,0,0]=3 285 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS89112 [0,0,0,0,2,0|1,0,0]=3 286 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS15142 [0,0,0,0,2,0|0,0,0]=2 287 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS39855 [0,0,0,0,2,0|0,0,0]=2 288 B15R2.2226 c1ccc(cc1)C(=O)c2ccccn2 TS15141 [0,0,0,0,2,0|1,0,0]=3 289 B15R2.2226 c1ccc(cc1)C(=O)c2cccnc2 TS48433 [0,0,0,0,2,0|1,0,0]=3 290 B15R2.2226 c1ccc(cc1)C(=O)c2ccncc2 TS48434 [0,0,0,0,2,0|1,0,0]=3 291 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Br TS27578 [0,0,0,0,2,0|1,0,1]=4 292 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Cl TS39831 [0,0,0,0,2,0|1,0,1]=4 293 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55747 [0,0,0,0,2,0|1,0,1]=4 294 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55748 [0,0,0,0,2,0|1,0,1]=4 295 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O TS55746 [0,0,0,0,2,0|0,0,2]=4 296 B15R2.2226 c1ccc(cc1)C(c2ccccc2)[SiH3] TS18715 [0,0,0,0,2,0|1,0,1]=4 297 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS15296 [0,0,0,0,2,0|2,0,0]=4 298 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS49883 [0,0,0,0,2,0|2,0,0]=4 299 B15R2.2226 c1ccc(cc1)P(=O)c2ccccc2 TS38234 [0,0,0,0,2,0|1,0,0]=3 300 B15R2.2226 c1ccc(cc1)P(c2ccccc2)Cl TS23193 [0,0,0,0,2,0|2,0,0]=4 301 B15R2.2226 c1ccc(cc1)S(=N)c2ccccc2 TS49649 [0,0,0,0,2,0|2,0,0]=4 302 B15R2.2226 c1ccc(cc1)S(=O)c2ccccc2 TS19430 [0,0,0,0,2,0|1,0,0]=3 303 B15R2.2226 c1ccc(cc1)[SiH](c2ccccc2)Cl TS49533 [0,0,0,0,2,0|1,1,0]=4 304 B15R2.2226 c1ccc(cc1)[Sn](=O)c2ccccc2 TS57986 [0,0,0,0,2,0|1,0,0]=3 305 B15R2.2226 c1ccc(cc1)[Sn](=S)c2ccccc2 TS75794 [0,0,0,0,2,0|1,1,0]=4 306 B15R2.2226 c1ccnc(c1)C(=O)c2ccccn2 TS48552 [0,0,0,0,2,0|2,0,0]=4 307 B17R2.2382 c1ccc(cc1)C=CC=Cc2ccccc2 TS39064 [1,0,0,0,0,1|0,0,2]=4 308 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 TS52712 [1,0,0,0,0,1|0,0,1]=3 309 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 TS21170 [1,0,0,0,0,1|0,0,1]=3 310 B17R2.2382 c1ccc(cc1)CSSCc2ccccc2 TS62335 [1,0,0,0,0,1|1,0,0]=3 311 B17R2.2382 c1ccc(cc1)C[Se][Se]Cc2ccccc2 TS64217 [1,0,0,0,0,1|1,0,0]=3 312 B17R2.2382 c1ccc(cc1)NCCNc2ccccc2 TS21365 [1,0,0,0,0,1|1,0,1]=4 313 B17R2.2382 c1ccc(cc1)NCCNc2ccccc2 TS54802 [1,0,0,0,0,1|1,0,1]=4 314 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 TS44532 [1,0,0,0,0,1|1,0,1]=4 315 B17R2.2382 c1ccc(cc1)PCCPc2ccccc2 TS27443 [1,0,0,0,0,1|1,0,1]=4 316 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 TS62337 [1,0,0,0,0,1|1,0,1]=4 317 B19R2.8900 c1ccc(cc1)CCNC(=O)Cc2ccccc2 TS26390 [0,0,0,0,0,2|0,0,0]=2 318 B19R2.8900 c1ccc(cc1)CCNC(=S)Nc2ccccc2 TS28954 [0,0,0,0,0,2|1,1,0]=4 319 B19R2.8900 c1ccc(cc1)CCOC(=O)Cc2ccccc2 TS26544 [0,0,0,0,0,2|0,0,0]=2 320 B19R2.16162 c1ccc(cc1)C=CC(=O)C=Cc2ccccc2 TS00206 [0,0,0,0,0,2|0,0,2]=4 321 B19R2.16162 c1ccc(cc1)C=CC(=O)C=Cc2ccccc2 TS60113 [0,0,0,0,0,2|0,0,2]=4 322 B19R2.16162 c1ccc(cc1)C=CC(=O)C=Cc2ccccc2 TS75948 [0,0,0,0,0,2|0,0,2]=4 323 B19R2.16162 c1ccc(cc1)CNC(=S)NCc2ccccc2 TS28955 [0,0,0,0,0,2|0,1,0]=3 324 B19R2.16162 c1ccc(cc1)COC(=O)C=Cc2ccccc2 TS26226 [0,0,0,0,0,2|0,0,1]=3 325 B19R2.16162 c1ccc(cc1)COC(=O)OCc2ccccc2 TS57709 [0,0,0,0,0,2|0,0,0]=2 326 B19R2.16162 c1ccc(cc1)COP([O-])OCc2ccccc2 TS68591 [0,0,0,0,0,2|1,0,1]=4 327 B19R2.16162 c1ccc(cc1)NNC(=O)N=Nc2ccccc2 TS57391 [0,0,0,0,0,2|2,0,0]=4 328 B19R2.16162 c1ccc(cc1)NNC(=O)NNc2ccccc2 TS57726 [0,0,0,0,0,2|2,0,0]=4 329 B19R2.16162 c1ccc(cc1)NNC(=O)NNc2ccccc2 TS72443 [0,0,0,0,0,2|2,0,0]=4 330 B19R2.16162 c1ccc(cc1)OCC(COc2ccccc2)O TS62018 [0,0,0,0,0,2|0,0,2]=4