0 B19R2.16162 C=C(\C=C/c1ccccc1)\C=C\c2ccccc2 Amb22232073 [0,0,0,0,0,0|2,0,1]=3 1 B19R2.16162 C=C(\C=C/c1ccccc1)\C=C\c2ccccc2 Amb33716627 [0,0,0,0,0,0|2,0,1]=3 2 B19R2.16162 ClC(=C/Nc1ccccc1)\C=N\c2ccccc2 Amb4021149 [0,0,0,0,0,0|4,0,0]=4 3 B19R2.16162 ClP(OCc1ccccc1)OCc2ccccc2 Amb27206026 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.16162 N=C(NCc1ccccc1)NCc2ccccc2 Amb27236648 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.16162 O=C(C#Cc1ccccc1)C#Cc2ccccc2 Amb9425 [0,0,0,0,0,0|1,0,3]=4 6 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb17940894 [0,0,0,0,0,0|1,0,2]=3 7 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb33719267 [0,0,0,0,0,0|1,0,2]=3 8 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 Amb2775788 [0,0,0,0,0,0|3,0,0]=3 9 B19R2.16162 O=C(CNc1ccccn1)NCc2ccccc2 Amb11412275 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.16162 O=C(COc1ccccc1)NCc2ccccc2 Amb6346392 [0,0,0,0,0,0|2,0,1]=3 11 B19R2.16162 O=C(NCc1ccccc1)NCc2ccccc2 Amb1207241 [0,0,0,0,0,0|2,0,1]=3 12 B19R2.16162 O=C(NCc1ccccc1)NCc2ccccn2 Amb147609 [0,0,0,0,0,0|3,0,1]=4 13 B19R2.16162 O=C(NCc1ccccc1)NCc2cccnc2 Amb8252912 [0,0,0,0,0,0|3,0,1]=4 14 B19R2.16162 O=C(NCc1ccccc1)NCc2ccncc2 Amb6591064 [0,0,0,0,0,0|3,0,1]=4 15 B19R2.16162 O=C(NCc1ccccc1)OCc2ccccc2 Amb5290122 [0,0,0,0,0,0|1,0,1]=2 16 B19R2.16162 O=C(NCc1ccncn1)OCc2ccccc2 Amb27429412 [0,0,0,0,0,0|3,0,1]=4 17 B19R2.16162 O=C(NNc1ccccc1)NNc2ccccc2 Amb2703412 [0,0,0,0,0,0|4,0,0]=4 18 B19R2.16162 O=C(NNc1ccccc1)OCc2ccccc2 Amb3987371 [0,0,0,0,0,0|2,0,0]=2 19 B19R2.16162 O=C(OCc1ccccc1)OCc2ccccc2 Amb4013588 [0,0,0,0,0,0|1,0,1]=2 20 B19R2.16162 O=C(\C=C\c1ccccc1)NCc2ccccc2 Amb576830 [0,0,0,0,0,0|1,0,0]=1 21 B19R2.16162 O=C(\C=C\c1ccccc1)NNc2ccccc2 Amb4081015 [0,0,0,0,0,0|2,0,0]=2 22 B19R2.16162 O=C(\C=C\c1ccccc1)OCc2ccccc2 Amb3097391 [0,0,0,0,0,0|0,0,0]=0 23 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb33716479 [0,0,0,0,0,0|1,0,1]=2 24 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb534881 [0,0,0,0,0,0|1,0,1]=2 25 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb8389264 [0,0,0,0,0,0|1,0,1]=2 26 B19R2.16162 O=C(\C=C\c1cccnc1)NCc2ccccc2 Amb10706171 [0,0,0,0,0,0|2,0,0]=2 27 B19R2.16162 O=C(\C=C\c1cccnc1)\C=C\c2cccnc2 Amb3361476 [0,0,0,0,0,0|3,0,1]=4 28 B19R2.16162 O=C(\N=N\c1ccccc1)NNc2ccccc2 Amb8513499 [0,0,0,0,0,0|4,0,0]=4 29 B19R2.16162 O=[PH](OCc1ccccc1)OCc2ccccc2 Amb8392900 [0,0,0,0,0,0|2,0,1]=3 30 B19R2.16162 OP(OCc1ccccc1)OCc2ccccc2 Amb8395347 [0,0,0,0,0,0|2,0,2]=4 31 B19R2.16162 S=C(NCc1ccccc1)NCc2ccccc2 Amb6357974 [0,0,0,0,0,0|2,1,1]=4 32 B19R2.16162 S=C(SCc1ccccc1)SCc2ccccc2 Amb33777152 [0,0,0,0,0,0|1,2,1]=4 33 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb1419375 [1,0,0,0,0,0|3,0,0]=4 34 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb33715370 [1,0,0,0,0,0|3,0,0]=4 35 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccccc2 Amb1855576 [1,0,0,0,0,0|1,0,1]=3 36 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccccn2 Amb5253622 [1,0,0,0,0,0|2,0,1]=4 37 B18R2.2525 C(=C\c1ccccc1)/CNCc2cccnc2 Amb6352159 [1,0,0,0,0,0|2,0,1]=4 38 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccncc2 Amb22528714 [1,0,0,0,0,0|2,0,1]=4 39 B18R2.2525 C(=C\c1ccccc1)/COCc2ccccc2 Amb35781860 [1,0,0,0,0,0|0,0,1]=2 40 B18R2.2525 c1ccc(CCNOCc2ccccc2)cc1 Amb25231901 [1,0,0,0,0,0|1,0,2]=4 41 B18R2.2525 c1ccc(CNNOCc2ccccc2)cc1 Amb28122329 [1,0,0,0,0,0|2,0,1]=4 42 B18R2.2525 c1ccc(COCCOc2ccccc2)cc1 Amb27767737 [1,0,0,0,0,0|1,0,2]=4 43 B18R2.2525 c1ccc(COCOCc2ccccc2)cc1 Amb8505030 [1,0,0,0,0,0|1,0,2]=4 44 B20R2.4449 Cc1ccc(CNC(=O)OCc2ccccc2)cn1 Amb27836865 [0,1,0,0,0,0|2,0,1]=4 45 B20R2.4449 Nc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb10576504 [0,1,0,0,0,0|1,0,1]=3 46 B20R2.4449 O=C(NCc1ccc(Br)cc1)OCc2ccccc2 Amb25763029 [0,1,0,0,0,0|1,0,1]=3 47 B20R2.4449 O=C(NCc1ccc(Cl)cc1)OCc2ccccc2 Amb2352729 [0,1,0,0,0,0|1,0,1]=3 48 B20R2.4658 Cc1cc(CNC(=O)OCc2ccccc2)ccn1 Amb27659211 [0,1,0,0,0,0|2,0,1]=4 49 B20R2.4658 Cc1cccc(OCC(=O)NCc2ccccc2)c1 Amb6345917 [0,1,0,0,0,0|2,0,1]=4 50 B20R2.4658 Nc1cccc(CCC(=O)NCc2ccccc2)c1 Amb8941321 [0,1,0,0,0,0|1,0,2]=4 51 B20R2.4658 Nc1cccc(CNC(=O)OCc2ccccc2)c1 Amb19889521 [0,1,0,0,0,0|1,0,1]=3 52 B20R2.4658 Nc1cccc(CNC(=O)OCc2ccccc2)c1 Amb2685740 [0,1,0,0,0,0|1,0,1]=3 53 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccccc2)c1 Amb17161481 [0,1,0,0,0,0|1,0,0]=2 54 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccccn2)c1 Amb17161662 [0,1,0,0,0,0|2,0,0]=3 55 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2cccnc2)c1 Amb17161663 [0,1,0,0,0,0|2,0,0]=3 56 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccncc2)c1 Amb17161664 [0,1,0,0,0,0|2,0,0]=3 57 B20R2.4658 O=C(COc1cccc(Cl)c1)NCc2ccccc2 Amb1233403 [0,1,0,0,0,0|2,0,1]=4 58 B20R2.4658 O=C(NCc1cccc(O)c1)OCc2ccccc2 Amb17912112 [0,1,0,0,0,0|1,0,1]=3 59 B20R2.4658 O=C1C=C(CNC(=O)OCc2ccccc2)C=CN1 Amb27645629 [0,1,0,0,0,0|2,0,1]=4 60 B20R2.6651 Cc1cccnc1CNC(=O)OCc2ccccc2 Amb28350600 [0,1,0,0,0,0|2,0,1]=4 61 B20R2.6651 Cc1cnccc1CNC(=O)OCc2ccccc2 Amb27656216 [0,1,0,0,0,0|2,0,1]=4 62 B20R2.6651 O=C(NCc1ccccc1Br)OCc2ccccc2 Amb22230260 [0,1,0,0,0,0|1,0,1]=3 63 B20R2.21590 NC(Cc1ccccc1)C(=O)NCc2ccccc2 Amb19374690 [0,1,0,0,0,0|1,0,2]=4 64 B20R2.21590 NC(Cc1ccccc1)C(=O)NCc2ccccc2 Amb6276703 [0,1,0,0,0,0|1,0,2]=4 65 B20R2.21590 NC(Cc1ccccc1)C(=O)OCc2ccccc2 Amb17355196 [0,1,0,0,0,0|0,0,2]=3 66 B20R2.21590 NC(Cc1ccccc1)C(=O)OCc2ccccc2 Amb20240572 [0,1,0,0,0,0|0,0,2]=3 67 B20R2.21590 NC(Cc1ccccc1)C(=O)OCc2ccccc2 Amb22472260 [0,1,0,0,0,0|0,0,2]=3 68 B20R2.21590 N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb10604193 [0,1,0,0,0,0|0,0,2]=3 69 B20R2.21590 N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb6365468 [0,1,0,0,0,0|0,0,2]=3 70 B20R2.21590 N[C@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb17678760 [0,1,0,0,0,0|0,0,2]=3 71 B20R2.21590 N[C@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb33871611 [0,1,0,0,0,0|0,0,2]=3 72 B20R2.21590 O=C(NCc1ccccc1)C(=O)Nc2ccccc2 Amb1781116 [0,1,0,0,0,0|2,0,0]=3 73 B20R2.21590 O=C(NCc1ccccn1)C(=O)Nc2ccccc2 Amb3599857 [0,1,0,0,0,0|3,0,0]=4 74 B20R2.21590 O=C(NCc1cccnc1)C(=O)Nc2ccccc2 Amb1259270 [0,1,0,0,0,0|3,0,0]=4 75 B20R2.21590 O=C(NCc1ccncc1)C(=O)Nc2ccccc2 Amb1259271 [0,1,0,0,0,0|3,0,0]=4 76 B20R2.21590 O=C(OCc1ccccc1)[C@@H](O)Cc2ccccc2 Amb10575846 [0,1,0,0,0,0|0,0,2]=3 77 B20R2.21596 CC(NC(=O)CCc1ccccc1)c2ccccc2 Amb1791728 [0,1,0,0,0,0|1,0,2]=4 78 B20R2.21596 CC(NC(=O)OCc1ccccc1)c2ccccc2 Amb2636975 [0,1,0,0,0,0|1,0,1]=3 79 B20R2.21596 CC(NC(=O)OCc1ccccc1)c2ccncc2 Amb28129204 [0,1,0,0,0,0|2,0,1]=4 80 B20R2.21596 C\C(=C\C(=O)c1ccccc1)NCc2ccccc2 Amb2386635 [0,1,0,0,0,0|2,0,0]=3 81 B20R2.21596 O=C(CC(=O)c1ccccn1)OCc2ccccc2 Amb33802225 [0,1,0,0,0,0|1,0,1]=3 82 B20R2.21596 O=C(NC(=S)NCc1ccccc1)c2ccccc2 Amb1206090 [0,1,0,0,0,0|2,1,0]=4 83 B20R2.21596 O=C(NCc1ccccc1)NC(=O)c2ccncc2 Amb632284 [0,1,0,0,0,0|3,0,0]=4 84 B20R2.64458 ON=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb6344196 [0,1,0,0,0,0|1,0,2]=4 85 B20R2.2714576 NP(=O)(OCc1ccccc1)OCc2ccccc2 Amb4035331 [0,1,0,0,0,0|2,0,1]=4 86 B20R2.2714576 O=P(Cl)(OCc1ccccc1)OCc2ccccc2 Amb17612519 [0,1,0,0,0,0|2,0,1]=4 87 B20R2.2714576 O=P(O)(OCc1ccccc1)OCc2ccccc2 Amb8390561 [0,1,0,0,0,0|2,0,1]=4 88 B20R2.2714576 O=P([O-])(OCc1ccccc1)OCc2ccccc2 Amb22230524 [0,1,0,0,0,0|2,0,1]=4 89 B20R2.2714576 O=S(=O)(\C=C\c1ccccc1)NCc2ccccc2 Amb1251732 [0,1,0,0,0,0|2,0,0]=3 90 B20R2.2714576 O=S(=O)(\C=C\c1ccccc1)NNc2ccccc2 Amb1251866 [0,1,0,0,0,0|3,0,0]=4 91 B20R3.451 O=C1C=Cc2ccccc2N1Cc3ccccc3 Amb27781966 [0,0,0,1,0,0|1,0,0]=2 92 B20R3.451 O=C1CNc2ccccc2N1Cc3ccccc3 Amb17254249 [0,0,0,1,0,0|2,0,1]=4 93 B20R3.451 O=C1COc2ccccc2N1Cc3ccccc3 Amb1398825 [0,0,0,1,0,0|2,0,1]=4 94 B20R3.451 O=C1OCc2ccccc2N1Cc3ccccc3 Amb2645673 [0,0,0,1,0,0|1,0,1]=3 95 B20R3.451 Oc1ccc2ccccc2c1Cc3ccccc3 Amb10558975 [0,0,0,1,0,0|1,0,1]=3 96 B20R3.11933 Cc1nc(-c2ccccc2)c(-c3ccccc3)o1 Amb9825867 [0,0,0,1,0,0|2,0,1]=4 97 B20R3.11933 Nc1nc(-c2ccccc2)c(-c3ccccc3)o1 Amb1150995 [0,0,0,1,0,0|2,0,1]=4 98 B20R3.11933 O=C1C=C(c2ccccc2)C(c3ccccc3)C1 Amb1934957 [0,0,0,1,0,0|1,0,0]=2 99 B20R3.11933 O=C1CC(c2ccccc2)N(c3ccccc3)N1 Amb6424133 [0,0,0,1,0,0|3,0,0]=4 100 B20R3.11933 O=C1N=C(c2ccccc2)C(c3ccccc3)N1 Amb6337794 [0,0,0,1,0,0|2,0,0]=3 101 B20R3.11933 O=C1NC(c2ccccc2)=C(c3ccccc3)N1 Amb20001463 [0,0,0,1,0,0|2,0,1]=4 102 B20R3.11933 O=C1N[C@@H](c2ccccc2)[C@@H](c3ccccc3)O1 Amb22351406 [0,0,0,1,0,0|1,0,1]=3 103 B20R3.11933 O=C1N[C@H](c2ccccc2)[C@H](c3ccccc3)O1 Amb10601669 [0,0,0,1,0,0|1,0,1]=3 104 B20R3.11933 O=C1OC(c2ccccc2)=C(c3ccccc3)O1 Amb20671994 [0,0,0,1,0,0|1,0,1]=3 105 B20R3.11933 Oc1nc(-c2ccccc2)c(-c3ccccc3)o1 Amb22653380 [0,0,0,1,0,0|1,0,2]=4 106 B20R3.11933 S=C1NC(c2ccccc2)=C(c3ccccc3)O1 Amb19394423 [0,0,0,1,0,0|1,1,1]=4 107 B20R3.11933 Sc1nc(-c2ccccc2)c(-c3ccccc3)o1 Amb6335766 [0,0,0,1,0,0|1,1,1]=4 108 B20R3.13355 O=C1NC(c2ccccc2)C1Cc3ccccc3 Amb33164141 [0,0,0,1,0,0|1,0,2]=4 109 B20R3.30190 C(#Cc1ccc2ccccc2c1)c3ccccc3 Amb21947817 [0,0,0,1,0,0|2,0,1]=4 110 B20R3.30190 C(=C\c1ccc2ccccc2n1)/c3ccccc3 Amb1159291 [0,0,0,1,0,0|2,0,1]=4 111 B20R3.30190 C(=C\c1ccc2ccccc2n1)/c3ccccc3 Amb22051648 [0,0,0,1,0,0|2,0,1]=4 112 B20R3.30190 c1ccc(CCc2ccc3ccccc3n2)cc1 Amb16225646 [0,0,0,1,0,0|2,0,0]=3 113 B20R3.30190 c1ccc(CNc2ccc3ccccc3c2)cc1 Amb838929 [0,0,0,1,0,0|2,0,0]=3 114 B20R3.30190 c1ccc(CNc2ccc3ncccc3c2)cc1 Amb27799352 [0,0,0,1,0,0|3,0,0]=4 115 B20R3.30190 c1ccc(CNc2cnc3ccccc3c2)cc1 Amb9556821 [0,0,0,1,0,0|3,0,0]=4 116 B20R3.30190 c1ccc(COc2ccc3ccccc3c2)cc1 Amb2617115 [0,0,0,1,0,0|1,0,0]=2 117 B20R3.30190 c1ccc(COc2ccc3ccncc3c2)cc1 Amb27854851 [0,0,0,1,0,0|2,0,0]=3 118 B20R3.30190 c1ccc(COc2ccc3cncnc3c2)cc1 Amb24334179 [0,0,0,1,0,0|3,0,0]=4 119 B20R3.30190 c1ccc(COc2ccc3ncccc3c2)cc1 Amb19108440 [0,0,0,1,0,0|2,0,0]=3 120 B20R3.30190 c1ccc(COc2cnc3ccccc3c2)cc1 Amb28289828 [0,0,0,1,0,0|2,0,0]=3 121 B20R3.30190 c1ccc(CSc2ccc3ccccc3n2)cc1 Amb4011980 [0,0,0,1,0,0|1,1,0]=3 122 B18R2.2429 C\C(Cc1ccccc1)=N/Nc2ccccc2 Amb11012847 [0,0,0,0,1,0|3,0,0]=4 123 B18R2.2429 N\C(Cc1ccccc1)=N\Cc2ccccc2 Amb23569056 [0,0,0,0,1,0|2,0,1]=4 124 B18R2.2429 O=C(CCc1ccccc1)Cc2ccccc2 Amb10572893 [0,0,0,0,1,0|0,0,2]=3 125 B18R2.2429 O=C(CCc1ccccc1)Nc2ccccc2 Amb6880289 [0,0,0,0,1,0|2,0,0]=3 126 B18R2.2429 O=C(CNc1ccccc1)Nc2ccccc2 Amb269743 [0,0,0,0,1,0|2,0,1]=4 127 B18R2.2429 O=C(CSc1ccccc1)Nc2ccccc2 Amb1223901 [0,0,0,0,1,0|2,0,1]=4 128 B18R2.2429 O=C(NCc1ccccc1)Nc2ccccn2 Amb8284087 [0,0,0,0,1,0|3,0,0]=4 129 B18R2.2429 O=C(NCc1ccccc1)Nc2cccnc2 Amb145004 [0,0,0,0,1,0|3,0,0]=4 130 B18R2.2429 O=C(NCc1ccccn1)Nc2ccccc2 Amb3361092 [0,0,0,0,1,0|3,0,0]=4 131 B18R2.2429 O=C(NNc1ccccc1)Nc2ccccc2 Amb1240786 [0,0,0,0,1,0|3,0,0]=4 132 B18R2.2429 O=C(Nc1ccccc1)OCc2ccccc2 Amb5290091 [0,0,0,0,1,0|1,0,0]=2 133 B18R2.2429 O=C(Nc1cccnn1)OCc2ccccc2 Amb29872459 [0,0,0,0,1,0|3,0,0]=4 134 B18R2.2429 O=C(Nc1cnccn1)OCc2ccccc2 Amb23449909 [0,0,0,0,1,0|3,0,0]=4 135 B18R2.2429 O=C(OCc1ccccc1)Oc2ccccc2 Amb21963907 [0,0,0,0,1,0|1,0,0]=2 136 B18R2.2429 O=C(\C=C\c1ccccc1)Nc2ccccc2 Amb6317434 [0,0,0,0,1,0|1,0,0]=2 137 B18R2.2429 S=C(Cc1ccccc1)NCc2ccccc2 Amb8459325 [0,0,0,0,1,0|1,1,1]=4 138 B18R2.2429 S=C(\C=C\c1ccccc1)Nc2ccccc2 Amb9793312 [0,0,0,0,1,0|1,1,0]=3 139 B18R2.2429 S\C(=N/Cc1ccccc1)Nc2ccccc2 Amb8470269 [0,0,0,0,1,0|2,1,0]=4 140 B18R2.2429 S\C(=N\c1ccccc1)NCc2ccccc2 Amb3467233 [0,0,0,0,1,0|2,1,0]=4 141 B18R2.11744 O=C(\C=C\c1ccccc1)\C=C\c2ccco2 Amb2435142 [0,0,0,0,1,0|2,0,1]=4 142 B18R2.11744 O=C(\C=C\c1ccco1)NCc2ccccc2 Amb6447341 [0,0,0,0,1,0|2,0,0]=3 143 B18R2.11744 O=C(\C=C\c1cccs1)NCc2ccccn2 Amb6558668 [0,0,0,0,1,0|3,0,0]=4 144 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 Amb6879409 [0,0,0,0,0,1|1,0,2]=4 145 B20R2.174735 O=C(CCc1ccccc1)N\N=C\c2ccccc2 Amb6361218 [0,0,0,0,0,1|2,0,0]=3 146 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 Amb27208450 [0,0,0,0,0,1|0,0,2]=3 147 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 Amb10672204 [0,0,0,0,0,1|2,0,1]=4 148 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 Amb17608937 [0,0,0,0,0,1|0,0,2]=3 149 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 Amb2456829 [0,0,0,0,0,1|2,0,1]=4 150 B20R2.174735 O=C(NCCc1cccnc1)OCc2ccccc2 Amb24337420 [0,0,0,0,0,1|1,0,2]=4 151 B20R2.174735 O=C(NCc1ccccc1)NOCc2ccccc2 Amb10690326 [0,0,0,0,0,1|1,0,1]=3 152 B20R2.174735 O=C(NOCc1ccccc1)OCc2ccccc2 Amb27759444 [0,0,0,0,0,1|1,0,1]=3 153 B20R2.174735 O=C(N\C=C\c1ccccc1)OCc2ccccc2 Amb2421770 [0,0,0,0,0,1|0,0,0]=1 154 B20R2.174735 O=C(\C=C\c1ccccc1)NCCc2cncnc2 Amb23603441 [0,0,0,0,0,1|3,0,0]=4 155 B20R2.174735 O=C(\C=C\c1ccccc1)OCCc2ccccc2 Amb4030100 [0,0,0,0,0,1|0,0,0]=1 156 B19R2.8899 CC(NC\C=C\c1ccccc1)c2ccccc2 Amb6455813 [1,1,0,0,0,0|1,0,1]=4 157 B19R2.8899 O=C(OC\C=C\c1ccccc1)c2ccccc2 Amb17777843 [1,1,0,0,0,0|0,0,2]=4 158 B19R2.8899 O=C(\C=C/NCc1ccccc1)c2ccccc2 Amb2386634 [1,1,0,0,0,0|1,0,0]=3 159 B19R2.8899 O=C(\C=C\C=C\c1ccccc1)c2ccccc2 Amb2617107 [1,1,0,0,0,0|1,0,1]=4 160 B19R2.8899 O=S(\C=C/C=C/c1ccccc1)c2ccccc2 Amb24309138 [1,1,0,0,0,0|2,0,0]=4 161 B19R2.8900 O=C(NOCc1ccccc1)Nc2ccccc2 Amb2818944 [1,1,0,0,0,0|2,0,0]=4 162 B19R2.11855 Clc1ccc(COC\C=C\c2ccccc2)cn1 Amb24122621 [1,1,0,0,0,0|1,0,1]=4 163 B19R2.11855 Fc1ccc(CNC\C=C\c2ccccc2)cc1 Amb22528712 [1,1,0,0,0,0|1,0,1]=4 164 B19R2.286 Nc1ccc(CCC(=O)Nc2ccccc2)cc1 Amb8941533 [0,1,0,0,1,0|2,0,0]=4 165 B19R2.286 Nc1ccc(CNC(=O)Cc2ccccc2)cc1 Amb17158942 [0,1,0,0,1,0|1,0,1]=4 166 B19R2.286 Nc1ccc(CNC(=O)Nc2ccccc2)cc1 Amb32411601 [0,1,0,0,1,0|2,0,0]=4 167 B19R2.286 O=C(COc1ccc(Cl)cc1)Oc2ccccc2 Amb6346139 [0,1,0,0,1,0|1,0,1]=4 168 B19R2.4385 Cc1cccc(CC(=O)NCc2ccccc2)c1 Amb6504621 [0,1,0,0,1,0|1,0,1]=4 169 B19R2.4385 Cc1cccc(NC(=O)NCc2ccccc2)c1 Amb2236968 [0,1,0,0,1,0|2,0,0]=4 170 B19R2.4385 Cc1cccc(NC(=O)OCc2ccccc2)c1 Amb1040441 [0,1,0,0,1,0|1,0,0]=3 171 B19R2.4385 Cc1cccc(OC(=O)\C=C\c2ccccc2)c1 Amb3097382 [0,1,0,0,1,0|0,0,0]=2 172 B19R2.4385 Cc1ccnc(NC(=O)OCc2ccccc2)c1 Amb35701819 [0,1,0,0,1,0|2,0,0]=4 173 B19R2.4385 Nc1cccc(CC(=O)NCc2ccccc2)c1 Amb17048853 [0,1,0,0,1,0|1,0,1]=4 174 B19R2.4385 Nc1cccc(NC(=O)CCc2ccccc2)c1 Amb1129974 [0,1,0,0,1,0|2,0,0]=4 175 B19R2.4385 Nc1cccc(NC(=O)NCc2ccccc2)c1 Amb6615069 [0,1,0,0,1,0|2,0,0]=4 176 B19R2.4385 Nc1cccc(NC(=O)OCc2ccccc2)c1 Amb8941748 [0,1,0,0,1,0|1,0,0]=3 177 B19R2.4385 Nc1cccc(NC(=O)\C=C\c2ccccc2)c1 Amb17070736 [0,1,0,0,1,0|1,0,0]=3 178 B19R2.4385 O=C(CCc1ccccc1)Nc2cccc(Br)c2 Amb6406819 [0,1,0,0,1,0|2,0,0]=4 179 B19R2.4385 O=C(CCc1ccccc1)Nc2cccc(O)c2 Amb6449928 [0,1,0,0,1,0|2,0,0]=4 180 B19R2.4385 O=C(Cc1cccc(Br)c1)NCc2ccccc2 Amb4009262 [0,1,0,0,1,0|1,0,1]=4 181 B19R2.4385 O=C(Cc1cccc(F)c1)NCc2ccccc2 Amb45630 [0,1,0,0,1,0|1,0,1]=4 182 B19R2.4385 O=C(Cc1cccc(O)c1)OCc2ccccc2 Amb6357596 [0,1,0,0,1,0|0,0,1]=3 183 B19R2.4385 O=C(NCc1ccccc1)Nc2cccc(Br)c2 Amb2752556 [0,1,0,0,1,0|2,0,0]=4 184 B19R2.4385 O=C(Nc1cc(Cl)ccn1)OCc2ccccc2 Amb19959591 [0,1,0,0,1,0|2,0,0]=4 185 B19R2.4385 O=C(Nc1cccc(Br)c1)OCc2ccccc2 Amb22462977 [0,1,0,0,1,0|1,0,0]=3 186 B19R2.4385 O=C(Nc1cccc(Cl)n1)OCc2ccccc2 Amb28208081 [0,1,0,0,1,0|2,0,0]=4 187 B19R2.4385 O=C(Nc1cccc(F)c1)OCc2ccccc2 Amb6371181 [0,1,0,0,1,0|1,0,0]=3 188 B19R2.4385 O=C(Nc1cccc(I)c1)OCc2ccccc2 Amb26545352 [0,1,0,0,1,0|1,0,0]=3 189 B19R2.4385 O=C(Nc1cncc(Br)c1)OCc2ccccc2 Amb19959592 [0,1,0,0,1,0|2,0,0]=4 190 B19R2.4385 O=C(Nc1cncc(Cl)c1)OCc2ccccc2 Amb35717893 [0,1,0,0,1,0|2,0,0]=4 191 B19R2.4385 O=C(\C=C\c1ccccc1)Nc2cccc(O)c2 Amb2550182 [0,1,0,0,1,0|1,0,0]=3 192 B19R2.4482 Nc1ccccc1CCC(=O)Nc2ccccc2 Amb8941531 [0,1,0,0,1,0|2,0,0]=4 193 B19R2.4482 Nc1ccccc1\C=C/C(=O)Oc2ccccc2 Amb17843218 [0,1,0,0,1,0|0,0,0]=2 194 B19R2.4482 O=C(NCc1ccccc1Cl)Nc2ccccc2 Amb1095976 [0,1,0,0,1,0|2,0,0]=4 195 B19R2.4482 O=C(NCc1ccccc1O)Nc2ccccc2 Amb17779389 [0,1,0,0,1,0|2,0,0]=4 196 B19R2.4485 Cc1ccccc1NC(=O)CCc2ccccc2 Amb6406926 [0,1,0,0,1,0|2,0,0]=4 197 B19R2.4485 Cc1ccccc1NC(=O)OCc2ccccc2 Amb6368461 [0,1,0,0,1,0|1,0,0]=3 198 B19R2.4485 Cc1ccccc1OC(=O)NCc2ccccc2 Amb28080026 [0,1,0,0,1,0|1,0,1]=4 199 B19R2.4485 Cc1cccnc1NC(=O)OCc2ccccc2 Amb28320080 [0,1,0,0,1,0|2,0,0]=4 200 B19R2.4485 Cc1ccncc1NC(=O)OCc2ccccc2 Amb28201282 [0,1,0,0,1,0|2,0,0]=4 201 B19R2.4485 Cc1ncccc1NC(=O)OCc2ccccc2 Amb27836875 [0,1,0,0,1,0|2,0,0]=4 202 B19R2.4485 Nc1ccccc1CC(=O)NCc2ccccc2 Amb6247564 [0,1,0,0,1,0|1,0,1]=4 203 B19R2.4485 Nc1ccccc1NC(=O)CCc2ccccc2 Amb1140148 [0,1,0,0,1,0|2,0,0]=4 204 B19R2.4485 Nc1ccccc1NC(=O)NCc2ccccc2 Amb27181907 [0,1,0,0,1,0|2,0,0]=4 205 B19R2.4485 Nc1ccccc1NC(=O)OCc2ccccc2 Amb21859117 [0,1,0,0,1,0|1,0,0]=3 206 B19R2.4485 Nc1ccccc1NC(=O)\C=C\c2ccccc2 Amb9463583 [0,1,0,0,1,0|1,0,0]=3 207 B19R2.4485 Nc1ncccc1NC(=O)OCc2ccccc2 Amb18664595 [0,1,0,0,1,0|2,0,0]=4 208 B19R2.4485 O=C(CCc1ccccc1)Nc2ccccc2Br Amb6343036 [0,1,0,0,1,0|2,0,0]=4 209 B19R2.4485 O=C(CCc1ccccc1)Nc2ccccc2Cl Amb6344361 [0,1,0,0,1,0|2,0,0]=4 210 B19R2.4485 O=C(COc1ccccc1)Oc2ccccc2Cl Amb6405095 [0,1,0,0,1,0|1,0,1]=4 211 B19R2.4485 O=C(Cc1ccccc1Br)NCc2ccccc2 Amb16206867 [0,1,0,0,1,0|1,0,1]=4 212 B19R2.4485 O=C(Cc1ccccc1O)NCc2ccccc2 Amb27492205 [0,1,0,0,1,0|1,0,1]=4 213 B19R2.4485 O=C(NC1=CC=CNC1=O)OCc2ccccc2 Amb19958423 [0,1,0,0,1,0|2,0,0]=4 214 B19R2.4485 O=C(NCc1ccccc1)Nc2ccccc2Br Amb2178516 [0,1,0,0,1,0|2,0,0]=4 215 B19R2.4485 O=C(NCc1ccccc1)Nc2ccccc2Cl Amb3988022 [0,1,0,0,1,0|2,0,0]=4 216 B19R2.4485 O=C(NCc1ccccc1)Nc2ccccc2F Amb5349891 [0,1,0,0,1,0|2,0,0]=4 217 B19R2.4485 O=C(NCc1ccccc1)Nc2ccccc2O Amb17596711 [0,1,0,0,1,0|2,0,0]=4 218 B19R2.4485 O=C(Nc1ccccc1I)OCc2ccccc2 Amb26897591 [0,1,0,0,1,0|1,0,0]=3 219 B19R2.4485 O=C(Nc1cccnc1F)OCc2ccccc2 Amb30018112 [0,1,0,0,1,0|2,0,0]=4 220 B19R2.4485 O=C(Nc1ccncc1F)OCc2ccccc2 Amb28193308 [0,1,0,0,1,0|2,0,0]=4 221 B19R2.4485 O=C(Nc1cnccc1Cl)OCc2ccccc2 Amb22235781 [0,1,0,0,1,0|2,0,0]=4 222 B19R2.4485 O=C(\C=C\c1ccccc1)Nc2ccccc2Br Amb5835746 [0,1,0,0,1,0|1,0,0]=3 223 B19R2.4485 O=C(\C=C\c1ccccc1)Nc2ccccc2Cl Amb5794869 [0,1,0,0,1,0|1,0,0]=3 224 B19R2.4485 O=C(\C=C\c1ccccc1)Nc2ccccc2F Amb1882820 [0,1,0,0,1,0|1,0,0]=3 225 B19R2.4485 O=C(\C=C\c1ccccc1)Nc2ccccc2O Amb2550181 [0,1,0,0,1,0|1,0,0]=3 226 B19R2.7672 Nc1cccc(CCC(=O)Nc2ccccc2)c1 Amb8941532 [0,1,0,0,1,0|2,0,0]=4 227 B19R2.7672 Nc1cccc(\C=C\C(=O)Nc2ccccc2)c1 Amb17158610 [0,1,0,0,1,0|1,0,0]=3 228 B19R2.7672 O=C(NCc1cccc(O)c1)Nc2ccccc2 Amb11440822 [0,1,0,0,1,0|2,0,0]=4 229 B19R2.8924 CN(Cc1ccccc1)C(=O)Nc2ccccc2 Amb1233808 [0,1,0,0,1,0|2,0,0]=4 230 B19R2.8924 NC(Cc1ccccc1)C(=O)Nc2ccccc2 Amb21958899 [0,1,0,0,1,0|2,0,0]=4 231 B19R2.8924 NC(Cc1ccccc1)C(=O)Nc2ccccc2 Amb9720082 [0,1,0,0,1,0|2,0,0]=4 232 B19R2.8924 N[C@@H](Cc1ccccc1)C(=O)Nc2ccccc2 Amb5784071 [0,1,0,0,1,0|2,0,0]=4 233 B19R2.8924 N[C@H](Cc1ccccc1)C(=O)Nc2ccccc2 Amb33109842 [0,1,0,0,1,0|2,0,0]=4 234 B19R2.8924 O=C(Cc1ccccc1)C(=O)Cc2ccccc2 Amb17777122 [0,1,0,0,1,0|0,0,1]=3 235 B19R2.8924 O=C(Cc1ccccc1)C(=O)Nc2ccccc2 Amb10559244 [0,1,0,0,1,0|1,0,0]=3 236 B19R2.8924 O=C(Nc1ccccc1)C(=O)Nc2ccccc2 Amb6355389 [0,1,0,0,1,0|2,0,0]=4 237 B19R2.8924 O=C(Oc1ccccc1)C(=O)Oc2ccccc2 Amb22051616 [0,1,0,0,1,0|1,0,0]=3 238 B19R2.8929 O=C(CC(=O)c1ccccc1)Nc2ccccc2 Amb1208568 [0,1,0,0,1,0|1,0,1]=4 239 B19R2.8929 O=C(CC(O)c1ccccc1)Oc2ccccc2 Amb17844456 [0,1,0,0,1,0|0,0,2]=4 240 B19R2.11857 Cc1ccc(CC(=O)NCc2ccccc2)cc1 Amb3305947 [0,1,0,0,1,0|1,0,1]=4 241 B19R2.11857 Cc1ccc(NC(=O)CCc2ccccc2)cc1 Amb3106053 [0,1,0,0,1,0|2,0,0]=4 242 B19R2.11857 Cc1ccc(NC(=O)NCc2ccccc2)cc1 Amb3094716 [0,1,0,0,1,0|2,0,0]=4 243 B19R2.11857 Cc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Amb6403777 [0,1,0,0,1,0|1,0,0]=3 244 B19R2.11857 Cc1ccc(OC(=O)\C=C\c2ccccc2)cc1 Amb3097383 [0,1,0,0,1,0|0,0,0]=2 245 B19R2.11857 Nc1ccc(CC(=O)NCc2ccccc2)cc1 Amb6242189 [0,1,0,0,1,0|1,0,1]=4 246 B19R2.11857 Nc1ccc(NC(=O)CCc2ccccc2)cc1 Amb1131684 [0,1,0,0,1,0|2,0,0]=4 247 B19R2.11857 Nc1ccc(NC(=O)NCc2ccccc2)cc1 Amb9328715 [0,1,0,0,1,0|2,0,0]=4 248 B19R2.11857 Nc1ccc(NC(=O)OCc2ccccc2)cc1 Amb9328932 [0,1,0,0,1,0|1,0,0]=3 249 B19R2.11857 Nc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Amb17068388 [0,1,0,0,1,0|1,0,0]=3 250 B19R2.11857 Nc1ccc(OC(=O)NCc2ccccc2)cc1 Amb26081958 [0,1,0,0,1,0|1,0,1]=4 251 B19R2.11857 O=C(CCc1ccccc1)Nc2ccc(Br)cc2 Amb2661111 [0,1,0,0,1,0|2,0,0]=4 252 B19R2.11857 O=C(CCc1ccccc1)Nc2ccc(O)cc2 Amb2661115 [0,1,0,0,1,0|2,0,0]=4 253 B19R2.11857 O=C(Cc1ccc(Br)cc1)NCc2ccccc2 Amb1798183 [0,1,0,0,1,0|1,0,1]=4 254 B19R2.11857 O=C(Cc1ccc(F)cc1)NCc2ccccc2 Amb1216124 [0,1,0,0,1,0|1,0,1]=4 255 B19R2.11857 O=C(Cc1ccc(O)cc1)NCc2ccccc2 Amb18664014 [0,1,0,0,1,0|1,0,1]=4 256 B19R2.11857 O=C(Cc1ccc(O)cc1)OCc2ccccc2 Amb3939532 [0,1,0,0,1,0|0,0,1]=3 257 B19R2.11857 O=C(NCc1ccccc1)Nc2ccc(Br)cc2 Amb11249492 [0,1,0,0,1,0|2,0,0]=4 258 B19R2.11857 O=C(NCc1ccccc1)Nc2ccc(I)cc2 Amb11249620 [0,1,0,0,1,0|2,0,0]=4 259 B19R2.11857 O=C(NCc1ccccc1)Oc2ccc(Cl)cc2 Amb28080175 [0,1,0,0,1,0|1,0,1]=4 260 B19R2.11857 O=C(Nc1ccc(Br)cc1)OCc2ccccc2 Amb5290097 [0,1,0,0,1,0|1,0,0]=3 261 B19R2.11857 O=C(Nc1ccc(Br)cn1)OCc2ccccc2 Amb10608808 [0,1,0,0,1,0|2,0,0]=4 262 B19R2.11857 O=C(Nc1ccc(Cl)cc1)OCc2ccccc2 Amb4458371 [0,1,0,0,1,0|1,0,0]=3 263 B19R2.11857 O=C(Nc1ccc(F)cc1)OCc2ccccc2 Amb2236975 [0,1,0,0,1,0|1,0,0]=3 264 B19R2.11857 O=C(Nc1ccc(F)cn1)OCc2ccccc2 Amb25267658 [0,1,0,0,1,0|2,0,0]=4 265 B19R2.11857 O=C(Nc1ccc(I)cc1)OCc2ccccc2 Amb1010303 [0,1,0,0,1,0|1,0,0]=3 266 B19R2.11857 O=C(Nc1ccc(I)cn1)OCc2ccccc2 Amb25747375 [0,1,0,0,1,0|2,0,0]=4 267 B19R2.11857 O=C(Nc1ccc(O)cc1)OCc2ccccc2 Amb22442573 [0,1,0,0,1,0|1,0,0]=3 268 B19R2.11857 O=C(\C=C\c1ccccc1)Nc2ccc(Br)cc2 Amb6193595 [0,1,0,0,1,0|1,0,0]=3 269 B19R2.11857 O=C(\C=C\c1ccccc1)Nc2ccc(O)cc2 Amb1202464 [0,1,0,0,1,0|1,0,0]=3 270 B19R2.16158 C=C(C(=O)NCc1ccccc1)c2ccccc2 Amb27674427 [0,1,0,0,1,0|1,0,0]=3 271 B19R2.16158 CN(C(=O)NCc1ccccc1)c2ccccc2 Amb4471714 [0,1,0,0,1,0|2,0,0]=4 272 B19R2.16158 NC(C(=O)NCc1ccccc1)c2ccccc2 Amb9716761 [0,1,0,0,1,0|1,0,1]=4 273 B19R2.16158 N[C@@H](C(=O)NCc1ccccc1)c2ccccc2 Amb18015030 [0,1,0,0,1,0|1,0,1]=4 274 B19R2.16158 O=C(NCc1ccccc1)C(=O)c2ccccc2 Amb17348041 [0,1,0,0,1,0|1,0,0]=3 275 B19R2.16158 O=C(NCc1ccccc1)C(Cl)c2ccccc2 Amb9702960 [0,1,0,0,1,0|1,0,1]=4 276 B19R2.16158 O=C(NCc1ccccc1)C(O)c2ccccc2 Amb3368805 [0,1,0,0,1,0|1,0,1]=4 277 B19R2.16158 O=C(NCc1ccccn1)C(=O)c2ccccc2 Amb17348417 [0,1,0,0,1,0|2,0,0]=4 278 B19R2.16158 O=C(NCc1cccnc1)C(=O)c2ccccc2 Amb17348418 [0,1,0,0,1,0|2,0,0]=4 279 B19R2.16158 O=C(NCc1ccncc1)C(=O)c2ccccc2 Amb17348419 [0,1,0,0,1,0|2,0,0]=4 280 B19R2.16158 O=C(OCc1ccccc1)[C@H](O)c2ccccc2 Amb3939683 [0,1,0,0,1,0|0,0,1]=3 281 B19R2.16158 O=C(\N=C\c1ccccc1)C(O)c2ccccc2 Amb4026937 [0,1,0,0,1,0|1,0,0]=3 282 B19R2.16166 CN(Cc1ccccc1)C(=O)\C=C\c2cccs2 Amb6539197 [0,1,0,0,1,0|2,0,0]=4 283 B19R2.101114 Nc1cccc(\C=C\C(=O)NCc2ccco2)c1 Amb17159259 [0,1,0,0,1,0|2,0,0]=4 284 B21R2.4733 Cc1cccc(\C=N\NC(=O)CCc2ccccc2)c1 Amb6345227 [0,1,0,0,0,1|2,0,0]=4 285 B21R2.4852 Cc1ccccc1CCNC(=O)OCc2ccccc2 Amb28201269 [0,1,0,0,0,1|0,0,2]=4 286 B21R2.4852 Cc1ccccc1\C=N\NC(=O)CCc2ccccc2 Amb6402980 [0,1,0,0,0,1|2,0,0]=4 287 B21R2.4852 O=C(NCCc1ccccc1Br)OCc2ccccc2 Amb26388608 [0,1,0,0,0,1|0,0,2]=4 288 B21R2.19000 O=C(NCCc1ccc(Br)cc1)OCc2ccccc2 Amb26853131 [0,1,0,0,0,1|0,0,2]=4 289 B21R2.19000 O=C(NCCc1ccc(O)cc1)OCc2ccccc2 Amb22410844 [0,1,0,0,0,1|0,0,2]=4 290 B21R2.19000 O=C(N\C=C\c1ccc(Br)cc1)OCc2ccccc2 Amb33869642 [0,1,0,0,0,1|0,0,0]=2 291 B21R2.19000 O=C(N\C=C\c1ccc(Cl)cc1)OCc2ccccc2 Amb2421789 [0,1,0,0,0,1|0,0,0]=2 292 B21R2.19000 O=C(\C=C\c1ccccc1)NCCc2ccc(O)cc2 Amb5799189 [0,1,0,0,0,1|1,0,0]=3 293 B21R2.27922 CC(OCc1ccccc1)C(=O)NCc2ccccc2 Amb27879420 [0,1,0,0,0,1|1,0,1]=4 294 B21R2.27922 O=C(NCc1ccccc1)C(=O)NCc2ccccc2 Amb1789522 [0,1,0,0,0,1|1,0,1]=4 295 B21R2.27922 O=C(OCc1ccccc1)C(=O)OCc2ccccc2 Amb6356892 [0,1,0,0,0,1|0,0,1]=3 296 B21R2.27923 NC(CNC(=O)OCc1ccccc1)c2ccccc2 Amb22388922 [0,1,0,0,0,1|0,0,2]=4 297 B21R2.27923 N[C@@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb33718550 [0,1,0,0,0,1|0,0,2]=4 298 B21R2.27923 N[C@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb16233362 [0,1,0,0,0,1|0,0,2]=4 299 B21R2.27923 N[C@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb33875003 [0,1,0,0,0,1|0,0,2]=4 300 B21R2.27923 O=C(COC(=O)c1ccccc1)OCc2ccccc2 Amb22233309 [0,1,0,0,0,1|0,0,1]=3 301 B21R2.27923 O=C(NC[C@H](O)c1ccccc1)OCc2ccccc2 Amb2612576 [0,1,0,0,0,1|0,0,2]=4 302 B21R2.27923 O=C(NOC(=O)c1ccccc1)OCc2ccccc2 Amb22057374 [0,1,0,0,0,1|1,0,0]=3 303 B21R2.27923 O=C(\C=C\c1ccccc1)OCC(=O)c2ccccc2 Amb6453820 [0,1,0,0,0,1|0,0,0]=2 304 B21R2.27926 C\C(=C\C(=O)Oc1ccccc1)NCc2ccccc2 Amb2386742 [0,1,0,0,0,1|2,0,0]=4 305 B21R2.221980 O=C(COCc1ccccc1)NCc2cccc(Br)c2 Amb21263727 [0,1,0,0,0,1|1,0,1]=4 306 B21R2.257667 C\C(=C/c1ccccc1)C(=O)C\C=N\c2ccccc2 Amb21858927 [0,1,0,0,0,1|1,0,1]=4 307 B21R2.257667 C\C(=C/c1ccccc1)C(=O)\C=C\Nc2ccccc2 Amb22015222 [0,1,0,0,0,1|1,0,1]=4 308 B21R2.85 COc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb25141447 [0,2,0,0,0,0|1,0,1]=4 309 B21R2.85 NCc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb23401812 [0,2,0,0,0,0|1,0,1]=4 310 B21R2.85 O=C(NCc1ccc(CO)cc1)OCc2ccccc2 Amb27979154 [0,2,0,0,0,0|1,0,1]=4 311 B21R2.85 O=Cc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb27431693 [0,2,0,0,0,0|1,0,1]=4 312 B21R2.4531 CC(Oc1ccc(N)cc1)C(=O)OCc2ccccc2 Amb17110028 [0,2,0,0,0,0|1,0,1]=4 313 B21R2.4531 NC(Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb4006752 [0,2,0,0,0,0|0,0,2]=4 314 B21R2.4531 N[C@@H](Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb16183985 [0,2,0,0,0,0|0,0,2]=4 315 B21R2.4531 N[C@@H](Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb19930748 [0,2,0,0,0,0|0,0,2]=4 316 B21R2.4531 N[C@H](Cc1ccc(O)cc1)C(=O)OCc2ccccc2 Amb33801075 [0,2,0,0,0,0|0,0,2]=4 317 B21R2.4531 O=C(NCc1ccccc1)C(=O)Nc2ccc(Cl)cc2 Amb1859871 [0,2,0,0,0,0|2,0,0]=4 318 B21R2.4531 O=C(NCc1ccccc1)C(=O)Nc2ccc(F)cc2 Amb3336680 [0,2,0,0,0,0|2,0,0]=4 319 B21R2.4534 O=C(\C=C\c1ccc(Cl)cc1)\C=C\c2ccc(Cl)cc2 Amb24060724 [0,2,0,0,0,0|1,0,1]=4 320 B21R2.18994 Cc1ccc(CNC(=O)\C=C\c2cccc(N)c2)cc1 Amb17165458 [0,2,0,0,0,0|1,0,0]=3 321 B21R2.19177 CC(NC(=O)OCc1ccccc1)c2ccc(Br)cc2 Amb27972891 [0,2,0,0,0,0|1,0,1]=4 322 B21R2.19177 C[C@H](NC(=O)OCc1ccccc1)c2ccc(O)cc2 Amb24531175 [0,2,0,0,0,0|1,0,1]=4 323 B21R2.19177 Cc1ccc(C(C)CC(=O)\C=C\c2ccccc2)cc1 Amb17843540 [0,2,0,0,0,0|1,0,0]=3 324 B21R2.19177 Cc1ccc(C(C)NC(=O)OCc2ccccc2)cc1 Amb27458355 [0,2,0,0,0,0|1,0,1]=4 325 B21R2.19177 O=C(NCc1ccccc1)NC(=O)c2ccc(Cl)cc2 Amb3440547 [0,2,0,0,0,0|2,0,0]=4 326 B21R2.19361 Cc1ccc(\C=C\C(=O)NCc2ccccc2)cc1N Amb17165471 [0,2,0,0,0,0|1,0,0]=3 327 B21R2.19361 Cc1ccc(\C=C\C(=O)NCc2ccccn2)cc1N Amb17165680 [0,2,0,0,0,0|2,0,0]=4 328 B21R2.19361 Cc1ccc(\C=C\C(=O)NCc2cccnc2)cc1N Amb17165681 [0,2,0,0,0,0|2,0,0]=4 329 B21R2.19361 Cc1ccc(\C=C\C(=O)NCc2ccncc2)cc1N Amb17165682 [0,2,0,0,0,0|2,0,0]=4 330 B21R2.19361 Nc1cc(\C=C\C(=O)NCc2ccccc2)ccc1F Amb17166675 [0,2,0,0,0,0|1,0,0]=3 331 B21R2.19361 Nc1cc(\C=C\C(=O)NCc2ccccn2)ccc1F Amb17166991 [0,2,0,0,0,0|2,0,0]=4 332 B21R2.19361 Nc1cc(\C=C\C(=O)NCc2cccnc2)ccc1F Amb17166992 [0,2,0,0,0,0|2,0,0]=4 333 B21R2.19361 Nc1cc(\C=C\C(=O)NCc2ccncc2)ccc1F Amb17166993 [0,2,0,0,0,0|2,0,0]=4 334 B21R2.19361 O=C(NCc1ccc(F)c(Cl)c1)OCc2ccccc2 Amb27262287 [0,2,0,0,0,0|1,0,1]=4 335 B21R2.225945 O=C(COc1ccc(Cl)cc1Br)OCc2ccccc2 Amb6540289 [0,2,0,0,0,0|1,0,1]=4 336 B21R2.225945 O=C(NCc1ccc(Br)cc1O)OCc2ccccc2 Amb10808641 [0,2,0,0,0,0|1,0,1]=4 337 B21R2.3551 NCc1cccc(CNC(=O)OCc2ccccc2)c1 Amb24117192 [0,2,0,0,0,0|1,0,1]=4 338 B21R2.3551 O=C(NCc1cccc(CO)c1)OCc2ccccc2 Amb24681943 [0,2,0,0,0,0|1,0,1]=4 339 B21R2.3551 O=Cc1cccc(CNC(=O)OCc2ccccc2)c1 Amb27659694 [0,2,0,0,0,0|1,0,1]=4 340 B21R2.4725 CC(Oc1cccc(N)c1)C(=O)OCc2ccccc2 Amb17110029 [0,2,0,0,0,0|1,0,1]=4 341 B21R2.4725 CN(Cc1cccc(N)c1)C(=O)OCc2ccccc2 Amb27218556 [0,2,0,0,0,0|1,0,1]=4 342 B21R2.4725 O=C(NCc1ccccc1)C(=O)Nc2cccc(Cl)c2 Amb1932522 [0,2,0,0,0,0|2,0,0]=4 343 B21R2.4782 Cc1cccc(OCC(=O)OCc2ccccc2)c1I Amb33512391 [0,2,0,0,0,0|1,0,1]=4 344 B21R2.4782 Cc1cccc(OCC(=O)OCc2ccccc2)c1N Amb33512225 [0,2,0,0,0,0|1,0,1]=4 345 B21R2.221977 CC(NC(=O)\C=C\c1cccc(N)c1)c2ccccc2 Amb17165459 [0,2,0,0,0,0|1,0,0]=3 346 B21R2.221983 CN(Cc1ccccc1)C(=O)\C=C\c2cccc(N)c2 Amb17165460 [0,2,0,0,0,0|1,0,0]=3 347 B21R2.222199 Cc1cccc([C@H](C)NC(=O)OCc2ccccc2)c1 Amb28122519 [0,2,0,0,0,0|1,0,1]=4 348 B21R2.7844 CC(Oc1ccccc1N)C(=O)OCc2ccccc2 Amb17110030 [0,2,0,0,0,0|1,0,1]=4 349 B21R2.7844 CN(Cc1ccccc1O)C(=O)OCc2ccccc2 Amb27418811 [0,2,0,0,0,0|1,0,1]=4 350 B21R2.7844 Cc1ccccc1CN(C)C(=O)OCc2ccccc2 Amb28194395 [0,2,0,0,0,0|1,0,1]=4 351 B21R2.7844 Cc1ccccc1NC(=O)C(=O)NCc2ccccc2 Amb1859832 [0,2,0,0,0,0|2,0,0]=4 352 B21R2.7844 O=C(NCc1ccccc1)C(=O)Nc2ccccc2Cl Amb1859853 [0,2,0,0,0,0|2,0,0]=4 353 B21R2.7844 O=C(NCc1ccccc1)C(=O)Nc2ccccc2F Amb1931367 [0,2,0,0,0,0|2,0,0]=4 354 B21R2.205889 CC(NC(=O)OCc1ccccc1)c2ccccc2Cl Amb27418489 [0,2,0,0,0,0|1,0,1]=4 355 B21R2.205889 CC(NC(=O)OCc1ccccc1)c2ccccc2F Amb27443761 [0,2,0,0,0,0|1,0,1]=4 356 B21R2.205889 C[C@@H](NC(=O)OCc1ccccc1)c2ccccc2Br Amb28132003 [0,2,0,0,0,0|1,0,1]=4 357 B21R2.205889 Cc1ccccc1C(C)NC(=O)OCc2ccccc2 Amb27418494 [0,2,0,0,0,0|1,0,1]=4 358 B21R2.205889 O=C(NCc1ccccc1)NC(=O)c2ccccc2I Amb8561534 [0,2,0,0,0,0|2,0,0]=4 359 B21R2.15276 CN[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2 Amb22745350 [0,2,0,0,0,0|0,0,2]=4 360 B21R2.15276 N#C\C(=C/c1ccccc1)C(=O)NCc2ccccc2 Amb2775831 [0,2,0,0,0,0|1,0,0]=3 361 B21R2.15276 N#C\C(=C\c1ccccc1)C(=O)NCc2ccccc2 Amb3467561 [0,2,0,0,0,0|1,0,0]=3 362 B21R2.15366 N#CC(NC(=O)OCc1ccccc1)c2ccccc2 Amb10558249 [0,2,0,0,0,0|1,0,1]=4 363 B21R2.15366 NCC(NC(=O)OCc1ccccc1)c2ccccc2 Amb22388923 [0,2,0,0,0,0|1,0,1]=4 364 B21R2.15366 NC[C@@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb24107556 [0,2,0,0,0,0|1,0,1]=4 365 B21R2.15366 NC[C@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb8630406 [0,2,0,0,0,0|1,0,1]=4 366 B21R2.15366 O=C(NC(CO)c1ccccc1)OCc2ccccc2 Amb3992825 [0,2,0,0,0,0|1,0,1]=4 367 B21R2.15366 O=C(N[C@@H](CO)c1ccccc1)OCc2ccccc2 Amb26329791 [0,2,0,0,0,0|1,0,1]=4 368 B21R2.15366 O=C(N[C@H](CO)c1ccccc1)OCc2ccccc2 Amb26429608 [0,2,0,0,0,0|1,0,1]=4 369 B21R2.15366 O=CC(NC(=O)OCc1ccccc1)c2ccccc2 Amb25260863 [0,2,0,0,0,0|1,0,1]=4 370 B21R2.15366 O=C[C@@H](NC(=O)OCc1ccccc1)c2ccccc2 Amb27387292 [0,2,0,0,0,0|1,0,1]=4 371 B21R2.27900 CC(C)(NC(=O)OCc1ccccc1)c2ccccc2 Amb28366318 [0,2,0,0,0,0|1,0,1]=4 372 B19R2.3421 O=C(OCc1ccccc1)c2ccccc2CBr Amb21962893 [0,0,1,1,0,0|1,0,1]=4 373 B19R2.113698 O=C(N\C=C\c1ccco1)OCc2ccccc2 Amb2418568 [0,0,1,1,0,0|2,0,0]=4 374 B19R2.3146 O=C\C=C\c1ccc(OCc2ccccc2)cc1 Amb32663189 [0,0,1,1,0,0|2,0,0]=4 375 B19R2.4553 Cc1ccc(S)cc1C(=O)OCc2ccccc2 Amb27986745 [0,0,1,1,0,0|1,0,1]=4 376 B19R2.4553 Nc1ccc(Br)cc1C(=O)OCc2ccccc2 Amb16232944 [0,0,1,1,0,0|2,0,0]=4 377 B19R2.4553 Nc1ccc(Cl)c(C(=O)OCc2ccccc2)c1 Amb17307885 [0,0,1,1,0,0|2,0,0]=4 378 B19R2.4553 Nc1ccc(I)cc1C(=O)OCc2ccccc2 Amb15691997 [0,0,1,1,0,0|2,0,0]=4 379 B19R2.4553 O=C(OCc1ccccc1)c2cc(Br)ccc2Cl Amb4977122 [0,0,1,1,0,0|2,0,0]=4 380 B19R2.4553 O=C(OCc1ccccc1)c2cc(Br)ccc2O Amb16232945 [0,0,1,1,0,0|2,0,0]=4 381 B19R2.4553 O=C(OCc1ccccc1)c2cc(S)ccc2Br Amb27489640 [0,0,1,1,0,0|2,0,0]=4 382 B19R2.4553 O=C(OCc1ccccc1)c2cc(S)ccc2Cl Amb27986744 [0,0,1,1,0,0|2,0,0]=4 383 B19R2.4553 O=C(OCc1ccccc1)c2cc(S)ccc2F Amb27489655 [0,0,1,1,0,0|2,0,0]=4 384 B19R2.876 NCc1cccc(C(=O)OCc2ccccc2)c1 Amb19349567 [0,0,1,1,0,0|1,0,1]=4 385 B19R2.876 NCc1cccc(C(=O)OCc2ccccc2)c1 Amb22058908 [0,0,1,1,0,0|1,0,1]=4 386 B19R3.25 C1=NC(c2ccccc2)C(c3ccccc3)=N1 Amb33992771 [1,0,0,1,0,0|2,0,0]=4 387 B19R3.25 c1ccc(-c2ccnn2-c3ccccc3)cc1 Amb2191287 [1,0,0,1,0,0|2,0,0]=4 388 B19R3.25 c1ccc(-c2ncoc2-c3ccccc3)cc1 Amb22263715 [1,0,0,1,0,0|1,0,1]=4 389 B19R3.28 c1ccc(C[n+]2cccc3ccccc32)cc1 Amb21912644 [1,0,0,1,0,0|1,0,0]=3 390 B19R3.28 c1ccc(C[n+]2cccc3ccccc32)cc1 Amb6600568 [1,0,0,1,0,0|1,0,0]=3 391 B19R3.28 c1ccc(Cc2cncc3ccccc23)cc1 Amb2233368 [1,0,0,1,0,0|2,0,0]=4 392 B19R3.28 c1ccc(Cc2nccc3ccccc23)cc1 Amb4010623 [1,0,0,1,0,0|2,0,0]=4 393 B19R3.28 c1ccc(Nc2cccc3ccccc23)cc1 Amb6334927 [1,0,0,1,0,0|2,0,0]=4 394 B19R3.28 c1ccc(Nc2cccc3ccccc23)cc1 Amb6365745 [1,0,0,1,0,0|2,0,0]=4 395 B19R3.2370 c1ccc(CCn2ccc3ccccc32)cc1 Amb17244982 [1,0,0,1,0,0|2,0,0]=4 396 B19R3.288 Cc1cc2ccccc2n1Cc3ccccc3 Amb9175208 [0,0,0,1,1,0|2,0,0]=4 397 B19R3.288 O=C1Cc2ccccc2N1Cc3ccccc3 Amb2720642 [0,0,0,1,1,0|1,0,1]=4 398 B19R3.288 O=C1Nc2ccccc2C1Cc3ccccc3 Amb2744754 [0,0,0,1,1,0|2,0,0]=4 399 B19R3.288 O=C1Nc2ccccc2N1Cc3ccccc3 Amb18537191 [0,0,0,1,1,0|2,0,0]=4 400 B19R3.288 O=C1Nc2ccccc2\C1=C/c3ccccc3 Amb3698403 [0,0,0,1,1,0|1,0,0]=3 401 B19R3.288 O=C1Nc2ccccc2\C1=C\c3ccccc3 Amb1817868 [0,0,0,1,1,0|1,0,0]=3 402 B19R3.288 O=C1Nc2ccccc2\C1=N/c3ccccc3 Amb20527651 [0,0,0,1,1,0|2,0,0]=4 403 B19R3.288 O=C1Nc2ccccc2\C1=N\c3ccccc3 Amb1774503 [0,0,0,1,1,0|2,0,0]=4 404 B19R3.288 O=C1Oc2ccccc2N1Cc3ccccc3 Amb18538702 [0,0,0,1,1,0|1,0,1]=4 405 B19R3.288 O=C1Sc2ccccc2N1Cc3ccccc3 Amb18003967 [0,0,0,1,1,0|2,0,0]=4 406 B19R3.294 Brc1cc(-c2ccccc2)c3ccccc3c1 Amb33622191 [0,0,0,1,1,0|1,0,1]=4 407 B19R3.294 Cc1cc(-c2ccccc2)c3ccccc3n1 Amb24097098 [0,0,0,1,1,0|2,0,0]=4 408 B19R3.294 Clc1cc(-c2ccccc2)c3ccccc3n1 Amb1148743 [0,0,0,1,1,0|2,0,0]=4 409 B19R3.294 O=C1C=C(c2ccccc2)c3ccccc3N1 Amb19668882 [0,0,0,1,1,0|1,0,0]=3 410 B19R3.294 O=C1C=C(c2ccccc2)c3ccccc3O1 Amb24084291 [0,0,0,1,1,0|0,0,0]=2 411 B19R3.294 O=C1CC(c2ccccc2)c3ccccc3N1 Amb22464342 [0,0,0,1,1,0|2,0,0]=4 412 B19R3.294 O=C1Cc2ccccc2C(c3ccccc3)N1 Amb2732028 [0,0,0,1,1,0|1,0,1]=4 413 B19R3.294 O=C1N=C(c2ccccc2)c3ccccc3N1 Amb19668883 [0,0,0,1,1,0|2,0,0]=4 414 B19R3.294 O=C1N=C2C=CC=CC2=C(c3ccccc3)N1 Amb19373710 [0,0,0,1,1,0|2,0,0]=4 415 B19R3.294 O=C1NC(c2ccccc2)c3ccccc3O1 Amb22263486 [0,0,0,1,1,0|1,0,1]=4 416 B19R3.294 Oc1cc(-c2ccccc2)c3ccccc3n1 Amb1104953 [0,0,0,1,1,0|1,0,1]=4 417 B19R3.298 O=C1NC(c2ccccc2)C1c3ccccc3 Amb33192994 [0,0,0,1,1,0|1,0,1]=4 418 B19R3.10796 O=C(Nc1ccccc1)C2Cc3ccccc32 Amb17844044 [0,0,0,1,1,0|2,0,0]=4 419 B19R3.19215 c1ccc(C[n+]2ccc3ccccc3c2)cc1 Amb2609826 [0,0,0,1,1,0|2,0,0]=4 420 B19R3.19215 c1ccc(C[n+]2ccc3ccccc3c2)cc1 Amb4035987 [0,0,0,1,1,0|2,0,0]=4 421 B19R3.19215 c1ccc(Cc2cc3ccccc3cn2)cc1 Amb17778823 [0,0,0,1,1,0|2,0,0]=4 422 B19R3.19215 c1ccc(Cc2ccc3ccccc3c2)cc1 Amb2698333 [0,0,0,1,1,0|1,0,0]=3 423 B19R3.19215 c1ccc(Cc2ccc3ccccc3n2)cc1 Amb2698334 [0,0,0,1,1,0|1,0,0]=3 424 B19R3.19215 c1ccc(Nc2ccc3ccccc3c2)cc1 Amb2540199 [0,0,0,1,1,0|2,0,0]=4 425 B19R3.19215 c1ccc(Nc2ccc3ccccc3n2)cc1 Amb8439709 [0,0,0,1,1,0|2,0,0]=4 426 B19R3.19215 c1ccc(Oc2ccc3ccccc3n2)cc1 Amb4007639 [0,0,0,1,1,0|1,0,0]=3 427 B19R3.19215 c1ccc(Sc2ccc3ccccc3n2)cc1 Amb4035229 [0,0,0,1,1,0|1,1,0]=4 428 B19R3.19255 C(=C\c1nc2cccnc2o1)/c3ccccc3 Amb18621285 [0,0,0,1,1,0|2,0,0]=4 429 B19R3.19255 C(=C\c1nc2ncccc2o1)/c3ccccc3 Amb18104274 [0,0,0,1,1,0|2,0,0]=4 430 B19R3.19268 c1ccc(COc2ccc3ccoc3c2)cc1 Amb26394484 [0,0,0,1,1,0|2,0,0]=4 431 B21R3.240 O=C1C=C(c2ccccc2)C(c3ccccc3)=CN1 Amb28645628 [0,0,0,1,0,1|1,0,1]=4 432 B21R3.240 O=C1C=C(c2ccccc2)C(c3ccccc3)=NN1 Amb28238217 [0,0,0,1,0,1|1,0,1]=4 433 B21R3.240 O=C1CNC(c2ccccc2)C(c3ccccc3)O1 Amb19957949 [0,0,0,1,0,1|0,0,2]=4 434 B21R3.240 O=C1CN[C@@H](c2ccccc2)[C@@H](c3ccccc3)O1 Amb10603184 [0,0,0,1,0,1|0,0,2]=4 435 B21R3.240 O=C1CN[C@H](c2ccccc2)[C@@H](c3ccccc3)O1 Amb22748916 [0,0,0,1,0,1|0,0,2]=4 436 B21R3.240 O=C1CN[C@H](c2ccccc2)[C@H](c3ccccc3)O1 Amb10603183 [0,0,0,1,0,1|0,0,2]=4 437 B21R3.2808 O=C(OCc1ccccc1)n2nnc3ccccc32 Amb9786614 [0,0,0,1,0,1|2,0,0]=4 438 B21R3.8204 Clc1cnc(-c2ccccc2)n1Cc3ccccc3 Amb16200642 [0,0,0,1,0,1|2,0,0]=4 439 B21R3.8204 S=C1NC=C(c2ccccc2)N1Cc3ccccc3 Amb21937141 [0,0,0,1,0,1|1,1,0]=4 440 B21R3.22167 Nc1cnc2ccccc2c1OCc3ccccc3 Amb25721454 [0,0,0,1,0,1|2,0,0]=4 441 B21R3.22167 O=C1C=Cc2ccccc2N1OCc3ccccc3 Amb25821319 [0,0,0,1,0,1|0,0,0]=2 442 B21R3.22167 O=C1CCc2ccccc2C1\C=N\c3ccccc3 Amb2386616 [0,0,0,1,0,1|1,0,1]=4 443 B21R3.30927 Brc1ccc(CNc2ccc3ccccc3c2)cc1 Amb838936 [0,1,0,1,0,0|2,0,0]=4 444 B21R3.30927 Cc1ccc(CNc2ccc3ccccc3c2)cc1 Amb9256494 [0,1,0,1,0,0|2,0,0]=4 445 B21R3.30927 Clc1ccc(CNc2ccc3ccccc3c2)cc1 Amb838937 [0,1,0,1,0,0|2,0,0]=4 446 B21R3.30927 Clc1ccc(CNc2ccc3ccccc3n2)cc1 Amb6653110 [0,1,0,1,0,0|2,0,0]=4 447 B21R3.30927 Nc1ccc(COc2ccc3ccccc3c2)cc1 Amb1140337 [0,1,0,1,0,0|1,0,0]=3 448 B21R3.153116 Brc1cnc2ccc(OCc3ccccc3)cc2c1 Amb22234707 [0,1,0,1,0,0|2,0,0]=4 449 B21R3.153116 Clc1ccc2ccc(OCc3ccccc3)cc2n1 Amb24332411 [0,1,0,1,0,0|2,0,0]=4 450 B21R3.153116 Nc1cc2cc(OCc3ccccc3)ccc2cn1 Amb22499400 [0,1,0,1,0,0|2,0,0]=4 451 B21R3.153116 Nc1ccc2ccc(OCc3ccccc3)cc2n1 Amb28288307 [0,1,0,1,0,0|2,0,0]=4 452 B21R3.153116 Nc1cnc2ccc(OCc3ccccc3)cc2c1 Amb32673368 [0,1,0,1,0,0|2,0,0]=4 453 B21R3.153116 O=C1C=Cc2ccc(OCc3ccccc3)cc2N1 Amb25746338 [0,1,0,1,0,0|2,0,0]=4 454 B21R3.153116 O=C1C=Cc2ccc(OCc3ccccc3)cc2O1 Amb17975004 [0,1,0,1,0,0|2,0,0]=4 455 B21R3.153116 Oc1ccc2ccc(OCc3ccccc3)cc2c1 Amb3428003 [0,1,0,1,0,0|1,0,0]=3 456 B21R3.8672 Nc1ccc2c(c1)C=CC(=O)N2Cc3ccccc3 Amb27605342 [0,1,0,1,0,0|1,0,0]=3 457 B21R3.153330 Brc1ccc2cc(OCc3ccccc3)ccc2c1 Amb2413127 [0,1,0,1,0,0|1,0,0]=3 458 B21R3.153330 Brc1ccc2cc(OCc3ccccc3)ccc2n1 Amb28348213 [0,1,0,1,0,0|2,0,0]=4 459 B21R3.153330 Cc1ccc2cc(OCc3ccccc3)ccc2n1 Amb19108144 [0,1,0,1,0,0|2,0,0]=4 460 B21R3.153330 Clc1ccc2cc(OCc3ccccc3)ccc2n1 Amb22501101 [0,1,0,1,0,0|2,0,0]=4 461 B21R3.153330 Nc1ccc2cc(OCc3ccccc3)ccc2n1 Amb26620515 [0,1,0,1,0,0|2,0,0]=4 462 B21R3.153330 Nc1ccc2nc(OCc3ccccc3)ccc2c1 Amb9310366 [0,1,0,1,0,0|1,0,0]=3 463 B21R3.153330 O=C1C=Cc2cc(OCc3ccccc3)ccc2N1 Amb25746484 [0,1,0,1,0,0|2,0,0]=4 464 B21R3.153330 Oc1ccc2cc(OCc3ccccc3)ccc2c1 Amb28194028 [0,1,0,1,0,0|1,0,0]=3 465 B21R3.6681832 Clc1ccnc2ccc(OCc3ccccc3)cc12 Amb9393513 [0,1,0,1,0,0|2,0,0]=4 466 B21R3.6681832 Nc1ccnc2ccc(OCc3ccccc3)cc12 Amb28079456 [0,1,0,1,0,0|2,0,0]=4 467 B21R3.6681832 O=C1C=COc2ccc(OCc3ccccc3)cc21 Amb25677328 [0,1,0,1,0,0|2,0,0]=4 468 B21R3.6681832 Oc1cccc2ccc(OCc3ccccc3)cc12 Amb35745235 [0,1,0,1,0,0|1,0,0]=3 469 B21R3.218733 Clc1ccccc1CNc2ccc3ccccc3c2 Amb9256492 [0,1,0,1,0,0|2,0,0]=4 470 B21R3.218733 Clc1ccccc1CNc2ccc3ccccc3n2 Amb6624221 [0,1,0,1,0,0|2,0,0]=4 471 B21R3.218733 Nc1ccccc1CCc2ccc3ccccc3n2 Amb9870441 [0,1,0,1,0,0|2,0,0]=4 472 B21R3.218733 Nc1ccccc1COc2ccc3ccccc3c2 Amb6662510 [0,1,0,1,0,0|1,0,0]=3 473 B21R3.397713 Clc1ccnc2cc(OCc3ccccc3)ccc12 Amb10603899 [0,1,0,1,0,0|2,0,0]=4 474 B21R3.397713 Clc1nccc2cc(OCc3ccccc3)ccc12 Amb17216949 [0,1,0,1,0,0|2,0,0]=4 475 B21R3.397713 Nc1ccnc2cc(OCc3ccccc3)ccc12 Amb27170432 [0,1,0,1,0,0|2,0,0]=4 476 B21R3.397713 Nc1nccc2cc(OCc3ccccc3)ccc12 Amb17216970 [0,1,0,1,0,0|2,0,0]=4 477 B21R3.397713 O=C1NC=Cc2cc(OCc3ccccc3)ccc21 Amb18034945 [0,1,0,1,0,0|2,0,0]=4 478 B21R3.397713 O=c1ccoc2cc(OCc3ccccc3)ccc12 Amb2657948 [0,1,0,1,0,0|2,0,0]=4 479 B21R3.397713 Oc1ccnc2cc(OCc3ccccc3)ccc12 Amb10071922 [0,1,0,1,0,0|2,0,0]=4 480 B21R3.2280253 O=C(NCc1ccccc1)c2cc3ccccc3o2 Amb1252457 [0,1,0,1,0,0|1,0,0]=3 481 B21R3.2280253 O=C(NCc1ccccc1)c2cc3ccccc3s2 Amb4443560 [0,1,0,1,0,0|1,0,0]=3 482 B21R3.2280253 O=C(NCc1ccccc1)c2cn3ccccc3n2 Amb11214463 [0,1,0,1,0,0|2,0,0]=4 483 B21R3.505 Fc1nc2ccccc2nc1OCc3ccccc3 Amb29853319 [0,1,0,1,0,0|2,0,0]=4 484 B21R3.505 Nc1cc2ccccc2cc1OCc3ccccc3 Amb27765081 [0,1,0,1,0,0|1,0,0]=3 485 B21R3.505 Nc1nc2ccccc2nc1OCc3ccccc3 Amb27971514 [0,1,0,1,0,0|2,0,0]=4 486 B21R3.505 Oc1cc2ccccc2cc1OCc3ccccc3 Amb8968426 [0,1,0,1,0,0|1,0,0]=3 487 B21R3.7747 Nc1cc(-c2ccccc2)nn1Cc3ccccc3 Amb1022370 [0,1,0,1,0,0|2,0,0]=4 488 B21R3.7747 O=C1OC(c2ccccc2)=C\C1=C/c3ccccc3 Amb545235 [0,1,0,1,0,0|0,0,1]=3 489 B21R3.7747 O=C1OC(c2ccccc2)=NC1Cc3ccccc3 Amb4015180 [0,1,0,1,0,0|2,0,0]=4 490 B21R3.7747 O=C1OC(c2ccccc2)=N\C1=C/c3ccccc3 Amb1156683 [0,1,0,1,0,0|0,0,1]=3 491 B21R3.7747 O=C1OC(c2ccccc2)=N\C1=C\c3ccccc3 Amb6384806 [0,1,0,1,0,0|0,0,1]=3 492 B21R3.7747 O=C1OC(c2ccccc2)C=C1Nc3ccccc3 Amb624406 [0,1,0,1,0,0|1,0,0]=3 493 B21R3.7747 O=C1OC(c2ccccc2)N=C1Cc3ccccc3 Amb22002030 [0,1,0,1,0,0|0,0,1]=3 494 B21R3.7817 O=C1CC(c2ccccc2)N(c3ccccc3)C1=O Amb17596918 [0,1,0,1,0,0|2,0,0]=4 495 B21R3.24438 CN(Cc1ccccc1)c2ccc3ccccc3n2 Amb17967473 [0,1,0,1,0,0|2,0,0]=4 496 B21R3.24438 O=C(Cc1ccccc1)c2ccc3ccccc3c2 Amb17777324 [0,1,0,1,0,0|2,0,0]=4 497 B21R3.24438 O=C(Cc1ccccc1)c2ccc3ccccc3c2 Amb17842793 [0,1,0,1,0,0|2,0,0]=4 498 B21R3.203 O=C1C=C(c2ccccc2)C=C(c3ccccc3)O1 Amb19665556 [0,1,0,1,0,0|0,0,1]=3 499 B21R3.203 O=C1C=C(c2ccccc2)N=C(c3ccccc3)N1 Amb20101128 [0,1,0,1,0,0|1,0,1]=4 500 B21R3.7827 O=C1C=C(c2ccccc2)C(O)(c3ccccc3)C1 Amb9703441 [0,1,0,1,0,0|1,0,0]=3 501 B21R3.22326 Cc1ccc2ccccc2c1C(O)c3ccccc3 Amb23552427 [0,1,0,1,0,0|2,0,0]=4 502 B21R3.22326 NC(c1ccccc1)c2c(O)ccc3ccccc23 Amb5719168 [0,1,0,1,0,0|1,0,1]=4 503 B21R3.22326 N[C@@H](c1ccccc1)c2c(O)ccc3ccccc23 Amb8517068 [0,1,0,1,0,0|1,0,1]=4 504 B21R3.22326 N[C@H](c1ccccc1)c2c(O)ccc3ccccc23 Amb8517107 [0,1,0,1,0,0|1,0,1]=4 505 B21R3.22326 [NH3+]C(c1ccccc1)c2c(O)ccc3ccccc23 Amb33512743 [0,1,0,1,0,0|1,0,1]=4 506 B21R3.22326 [NH3+]C(c1ccccc1)c2c(O)ccc3ccccc23 Amb4009982 [0,1,0,1,0,0|1,0,1]=4 507 B21R3.24492 NC(Cc1ccc2ccccc2n1)c3ccccc3 Amb9206049 [0,1,0,1,0,0|2,0,0]=4 508 B21R3.24492 O=C(Oc1ccc2ccccc2c1)c3ccccc3 Amb6358043 [0,1,0,1,0,0|1,0,1]=4 509 B21R3.411497 CC1=CC(=O)N(Cc2ccccc2)c3ccccc31 Amb18001026 [0,1,0,1,0,0|1,0,0]=3 510 B21R3.411497 O=C1C=C(O)c2ccccc2N1Cc3ccccc3 Amb19655009 [0,1,0,1,0,0|1,0,0]=3 511 B21R3.411497 O=C1C=C(O)c2cccnc2N1Cc3ccccc3 Amb18532549 [0,1,0,1,0,0|2,0,0]=4 512 B21R3.411497 O=C1NC(=O)N(Cc2ccccc2)c3ccccc31 Amb25245368 [0,1,0,1,0,0|2,0,0]=4 513 B21R3.411497 O=C1NC(=O)c2ccccc2\C1=C\c3ccccc3 Amb17779201 [0,1,0,1,0,0|1,0,1]=4 514 B21R3.411497 O=C1OC(=O)N(Cc2ccccc2)c3ccccc31 Amb19884095 [0,1,0,1,0,0|2,0,0]=4 515 B21R3.444247 Brc1cc(OCc2ccccc2)cc3ccccc13 Amb27487295 [0,1,0,1,0,0|1,0,0]=3 516 B21R3.444247 Brc1cc(OCc2ccccc2)cc3ccncc13 Amb28455350 [0,1,0,1,0,0|2,0,0]=4 517 B21R3.444247 Cc1cc(NCc2ccccc2)nc3ccccc13 Amb2231384 [0,1,0,1,0,0|2,0,0]=4 518 B21R3.444247 Nc1cc(OCc2ccccc2)cc3cccnc13 Amb27470219 [0,1,0,1,0,0|2,0,0]=4 519 B21R3.444247 O=C1OC(\C=C\c2ccccc2)=Nc3ccccc31 Amb18003599 [0,1,0,1,0,0|1,0,1]=4 520 B21R3.444247 O=c1cc(CCc2ccccc2)oc3ccccc13 Amb24089700 [0,1,0,1,0,0|1,0,1]=4 521 B21R3.33363 O=Cc1cc(-c2ccccc2)n(-c3ccccc3)n1 Amb22752858 [0,1,0,1,0,0|2,0,0]=4 522 B21R3.3944604 Cc1c(OCc2ccccc2)ccc3ccccc13 Amb4013660 [0,1,0,1,0,0|1,0,0]=3 523 B21R3.3944604 Nc1c(NCc2ccccc2)ccc3ccccc13 Amb27978365 [0,1,0,1,0,0|2,0,0]=4 524 B21R3.3944604 Nc1c(OCc2ccccc2)ccc3cnccc13 Amb27261534 [0,1,0,1,0,0|2,0,0]=4 525 B21R3.3944604 Nc1c(OCc2ccccc2)ccc3ncccc13 Amb9676514 [0,1,0,1,0,0|2,0,0]=4 526 B17R2.2382 C(=N\OCc1ccccc1)/c2cccnc2 Amb24072697 [1,0,0,0,1,0|2,0,0]=4 527 B17R2.2382 C(\C=C\c1ccccc1)=C/c2ccccc2 Amb2458220 [1,0,0,0,1,0|0,0,1]=3 528 B17R2.2382 C(\C=C\c1ccccn1)=C/c2ccccc2 Amb2609803 [1,0,0,0,1,0|1,0,1]=4 529 B17R2.2382 c1ccc(CNOCc2ccccc2)cc1 Amb27611604 [1,0,0,0,1,0|1,0,1]=4 530 B17R2.143 O=C(Cc1ccccc1)Cc2ccccc2 Amb6354516 [0,0,0,0,2,0|0,0,1]=3 531 B17R2.143 O=C(Cc1ccccc1)Cc2cccnc2 Amb32684178 [0,0,0,0,2,0|1,0,1]=4 532 B17R2.143 O=C(Cc1ccccc1)Nc2ccccc2 Amb3099547 [0,0,0,0,2,0|1,0,0]=3 533 B17R2.143 O=C(Cc1ccccc1)Nc2ccccn2 Amb6560630 [0,0,0,0,2,0|2,0,0]=4 534 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 Amb1245995 [0,0,0,0,2,0|2,0,0]=4 535 B17R2.143 O=C(Nc1cccnc1)Oc2ccccc2 Amb1557114 [0,0,0,0,2,0|2,0,0]=4 536 B17R2.143 O=C(Nc1ccncc1)Oc2ccccc2 Amb8471204 [0,0,0,0,2,0|2,0,0]=4 537 B17R2.143 O=C(Oc1ccccc1)Oc2ccccc2 Amb1260798 [0,0,0,0,2,0|1,0,0]=3 538 B17R2.143 O=S(Cc1ccccc1)Cc2ccccc2 Amb8387527 [0,0,0,0,2,0|1,0,1]=4 539 B17R2.143 O=[PH](Oc1ccccc1)Oc2ccccc2 Amb8513156 [0,0,0,0,2,0|2,0,0]=4 540 B17R2.143 S=C(Oc1ccccc1)Oc2ccccc2 Amb2614902 [0,0,0,0,2,0|1,1,0]=4 541 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 Amb28141227 [0,0,0,0,2,0|1,0,1]=4 542 B17R2.2342 CC(\C=C\c1ccccc1)c2ccccc2 Amb17673649 [0,0,0,0,2,0|1,0,1]=4 543 B17R2.2342 ClC(\C=C\c1ccccc1)c2ccccc2 Amb24121369 [0,0,0,0,2,0|1,0,1]=4 544 B17R2.2342 Cl\C(=N\Cc1ccccc1)c2ccccc2 Amb28400953 [0,0,0,0,2,0|2,0,0]=4 545 B17R2.2342 N=C(NCc1ccccc1)c2ccccc2 Amb23447124 [0,0,0,0,2,0|2,0,0]=4 546 B17R2.2342 O=C(C#Cc1ccccc1)c2ccccc2 Amb3941702 [0,0,0,0,2,0|0,0,2]=4 547 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 Amb2228399 [0,0,0,0,2,0|1,0,0]=3 548 B17R2.2342 O=C(CCc1ccccc1)c2ccccn2 Amb17508111 [0,0,0,0,2,0|2,0,0]=4 549 B17R2.2342 O=C(CCc1ccccc1)c2cccnc2 Amb17240896 [0,0,0,0,2,0|2,0,0]=4 550 B17R2.2342 O=C(CCc1cccnc1)c2ccccc2 Amb17507860 [0,0,0,0,2,0|2,0,0]=4 551 B17R2.2342 O=C(CNc1ccccc1)c2ccccc2 Amb32929163 [0,0,0,0,2,0|1,0,1]=4 552 B17R2.2342 O=C(CNc1ccccc1)c2ccccc2 Amb6543315 [0,0,0,0,2,0|1,0,1]=4 553 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 Amb6360737 [0,0,0,0,2,0|1,0,1]=4 554 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 Amb2703541 [0,0,0,0,2,0|1,0,1]=4 555 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 Amb6339622 [0,0,0,0,2,0|1,0,0]=3 556 B17R2.2342 O=C(NCc1ccccc1)c2ccccn2 Amb1239907 [0,0,0,0,2,0|2,0,0]=4 557 B17R2.2342 O=C(NCc1ccccc1)c2cccnc2 Amb1195994 [0,0,0,0,2,0|2,0,0]=4 558 B17R2.2342 O=C(NCc1ccccc1)c2ccncc2 Amb6317618 [0,0,0,0,2,0|2,0,0]=4 559 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 Amb1229298 [0,0,0,0,2,0|2,0,0]=4 560 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 Amb4889094 [0,0,0,0,2,0|0,0,0]=2 561 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 Amb1548203 [0,0,0,0,2,0|1,0,0]=3 562 B17R2.2342 O=C(OCc1ccccc1)c2cnccn2 Amb27485988 [0,0,0,0,2,0|2,0,0]=4 563 B17R2.2342 O=C(OCc1ccccn1)c2ccccn2 Amb24085010 [0,0,0,0,2,0|2,0,0]=4 564 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb17777126 [0,0,0,0,2,0|0,0,0]=2 565 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb33716481 [0,0,0,0,2,0|0,0,0]=2 566 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 Amb8513552 [0,0,0,0,2,0|0,0,0]=2 567 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccn2 Amb2418890 [0,0,0,0,2,0|1,0,0]=3 568 B17R2.2342 O=C(\C=C\c1ccccn1)c2ccccc2 Amb17140401 [0,0,0,0,2,0|1,0,0]=3 569 B17R2.2342 O=C(\C=C\c1cccnc1)c2ccccc2 Amb135551 [0,0,0,0,2,0|1,0,0]=3 570 B17R2.2342 O=C(\C=C\c1cccnc1)c2cccnc2 Amb1570573 [0,0,0,0,2,0|2,0,0]=4 571 B17R2.2342 O=C(\C=C\c1cccnc1)c2ccncc2 Amb13949229 [0,0,0,0,2,0|2,0,0]=4 572 B17R2.2342 O=C(\C=C\c1ccncc1)c2ccccc2 Amb5721614 [0,0,0,0,2,0|1,0,0]=3 573 B17R2.2342 O=C(\C=C\c1ccncc1)c2cccnc2 Amb17508280 [0,0,0,0,2,0|2,0,0]=4 574 B17R2.2342 O=C(\C=C\c1ccncc1)c2ccncc2 Amb32420090 [0,0,0,0,2,0|2,0,0]=4 575 B17R2.2342 O=C(\N=N\c1ccccc1)c2ccccc2 Amb16231118 [0,0,0,0,2,0|2,0,0]=4 576 B17R2.2342 OC(\C=C\c1ccccc1)c2ccccc2 Amb5493999 [0,0,0,0,2,0|0,0,2]=4 577 B17R2.2342 ON(\C=C\c1ccccc1)c2ccccc2 Amb17778079 [0,0,0,0,2,0|1,0,1]=4 578 B17R2.2342 S=C(NCc1ccccc1)c2ccccc2 Amb1212595 [0,0,0,0,2,0|1,1,0]=4 579 B17R2.8343 O=C(Nc1cccs1)OCc2ccccc2 Amb27817291 [0,0,0,0,2,0|2,0,0]=4 580 B17R2.8343 O=C(Nc1ccoc1)OCc2ccccc2 Amb22230282 [0,0,0,0,2,0|2,0,0]=4 581 B19R2.2628 C(=C\SCc1ccccc1)/SCc2ccccc2 Amb9786803 [1,0,0,0,0,1|0,1,1]=4 582 B19R2.2628 C(=C\c1ccccc1)/CNCCc2ccccc2 Amb6455814 [1,0,0,0,0,1|1,0,1]=4 583 B21R2.257631 O=C(CCOCc1ccccc1)OCc2ccccc2 Amb26478022 [0,0,0,0,0,2|0,0,2]=4 584 B21R2.257631 O=C(CCc1ccccc1)OCCCc2ccccc2 Amb24094185 [0,0,0,0,0,2|0,0,2]=4 585 B21R2.257631 O=C(\C=C\C=C\c1ccccc1)CCc2ccccc2 Amb20622183 [0,0,0,0,0,2|1,0,0]=3 586 B21R2.257631 O=C(\C=C\c1ccccc1)OCCCc2ccccc2 Amb4315323 [0,0,0,0,0,2|0,0,0]=2 587 B21R2.257631 O=C(\C=C\c1ccccc1)OC\C=C\c2ccccc2 Amb533688 [0,0,0,0,0,2|0,0,0]=2 588 B21R2.257676 O=C(COCc1ccccc1)COCc2ccccc2 Amb27805111 [0,0,0,0,0,2|0,0,2]=4