0 B21R3.41307345 Cc1cc(O)cc2OC(=CC(=O)c21)c3ccccc3 Amb18511629 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.41307345 Nc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3 Amb24079278 [0,0,0,0,0,0|1,0,0]=1 2 B21R3.41307345 O=C1C=C(Oc2cc(Cl)cc(Cl)c21)c3ccccc3 Amb19667390 [0,0,0,0,0,0|2,0,0]=2 3 B21R3.41307345 OC1=CC=2OC(=NC(=O)C2C(=O)O1)c3ccccc3 Amb20662209 [0,0,0,0,0,0|2,0,1]=3 4 B21R3.41307345 Oc1cc(O)cc2OC(=CC(=O)c12)c3ccccc3 Amb18511580 [0,0,0,0,0,0|0,0,0]=0 5 B20R3.14623 Oc1cc2OC(CCc2c(O)c1)c3ccccc3 Amb22751488 [1,0,0,0,0,0|0,0,3]=4 6 B20R3.247868 CC1=CC=CC2=NC(=CC(=O)N21)c3ccccc3 Amb19669965 [1,0,0,0,0,0|3,0,0]=4 7 B20R3.247868 Cc1cccc2N=C(OC(=O)c21)c3ccccc3 Amb19665945 [1,0,0,0,0,0|3,0,0]=4 8 B20R3.247868 Cc1cccc2OC(=CC(=O)c21)c3ccccc3 Amb24079265 [1,0,0,0,0,0|1,0,0]=2 9 B20R3.247868 Cc1cccc2n1c(=O)cc(n2)c3ccccc3 Amb10553734 [1,0,0,0,0,0|3,0,0]=4 10 B20R3.247868 Oc1cccc2OC(=CC(=O)c21)c3ccccc3 Amb18511587 [1,0,0,0,0,0|0,0,0]=1 11 B20R3.277426 CC1=CC2=NC(=CC(=O)N2C=C1)c3ccccc3 Amb19551883 [1,0,0,0,0,0|3,0,0]=4 12 B20R3.277426 Cc1cc2OC(=CC(=O)c2cc1)c3ccccc3 Amb24079262 [1,0,0,0,0,0|1,0,0]=2 13 B20R3.277426 Clc1ccc2c(c1)OC(CC2=O)c3ccccc3 Amb1571744 [1,0,0,0,0,0|1,0,2]=4 14 B20R3.277426 Nc1cc2OC(=CC(=O)c2cc1)c3ccccc3 Amb22360616 [1,0,0,0,0,0|1,0,0]=2 15 B20R3.277426 O=C1C=C(Oc2cc(Cl)ccc21)c3ccccc3 Amb22645360 [1,0,0,0,0,0|1,0,0]=2 16 B20R3.277426 O=C1C=C(Oc2cc(I)ccc21)c3ccccc3 Amb24070335 [1,0,0,0,0,0|1,0,0]=2 17 B20R3.277426 O=C1CC(Oc2cc(Br)ccc21)c3ccccc3 Amb24070332 [1,0,0,0,0,0|1,0,2]=4 18 B20R3.277426 O=C1CC(Oc2cc(I)ccc21)c3ccccc3 Amb24070315 [1,0,0,0,0,0|1,0,2]=4 19 B20R3.277426 O=C1NC(=Nc2cc(Cl)ccc21)c3ccccc3 Amb22450380 [1,0,0,0,0,0|3,0,0]=4 20 B20R3.277426 O=C1OC(=Nc2cc(Cl)ccc21)c3ccccc3 Amb19668237 [1,0,0,0,0,0|3,0,0]=4 21 B20R3.277426 O=c1cc(oc2cc(Br)ccc21)-c3ccccc3 Amb24092026 [1,0,0,0,0,0|1,0,0]=2 22 B20R3.277426 Oc1cc2N=C(OC(=O)c2cc1)c3ccccc3 Amb18663381 [1,0,0,0,0,0|2,0,0]=3 23 B20R3.277426 Oc1cc2OC(=CC(=O)c2cc1)c3ccccc3 Amb18511602 [1,0,0,0,0,0|0,0,0]=1 24 B20R3.277426 Oc1cc2O[C@@H](CC(=O)c2cc1)c3ccccc3 Amb24107257 [1,0,0,0,0,0|0,0,2]=3 25 B22R3.2846088 Nc1c(O)c2C(=O)C=C(Oc2cc1O)c3ccccc3 Amb24079272 [0,1,0,0,0,0|0,0,0]=1 26 B22R3.2846088 Oc1c(C)cc2c(c1O)c(=O)cc(o2)c3ccccc3 Amb10842380 [0,1,0,0,0,0|1,0,0]=2 27 B22R3.2846088 Oc1c(O)c2C(=O)C=C(Oc2cc1O)c3ccccc3 Amb18511633 [0,1,0,0,0,0|0,0,0]=1 28 B22R3.2846088 Oc1c(O)c2C(=O)C=C(Oc2cc1O)c3ccccc3 Amb19130638 [0,1,0,0,0,0|0,0,0]=1 29 B22R3.2846088 Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c3ccccc3 Amb24107184 [0,1,0,0,0,0|0,0,2]=3 30 B22R3.18332665 COc1cc(O)cc2OC(=CC(=O)c12)c3ccccc3 Amb19935636 [0,1,0,0,0,0|0,0,0]=1 31 B22R3.43403522 Cc1cc(C)cc2OC(=CC(=O)c12)c3ccccc3Cl Amb19667799 [0,1,0,0,0,0|2,0,0]=3 32 B22R3.43403522 Oc1ccccc1C2=CC(=O)c3c(cc(O)cc3O)O2 Amb21928547 [0,1,0,0,0,0|0,0,0]=1 33 B22R3.53618968 Oc1cc2CC(=C(C(=O)c2c(c1)O)O)c3ccccc3 Amb17597321 [0,1,0,0,0,0|1,0,0]=2 34 B22R3.53618968 Oc1cc2OC(c3ccccc3)=C(O)C(=O)c2c(O)c1 Amb18511617 [0,1,0,0,0,0|0,0,0]=1 35 B22R3.78129056 Nc1c2OC(=CC(=O)c2c(O)cc1O)c3ccccc3 Amb24079280 [0,1,0,0,0,0|0,0,0]=1 36 B22R3.78129056 Oc1c2OC(=CC(=O)c2c(O)cc1O)c3ccccc3 Amb18511644 [0,1,0,0,0,0|0,0,0]=1 37 B22R3.98287844 Cc1cc(C)cc2OC(=CC(=O)c12)c3ccc(N)cc3 Amb18034355 [0,1,0,0,0,0|2,0,0]=3 38 B22R3.98287844 Cc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 Amb17722050 [0,1,0,0,0,0|1,0,2]=4 39 B22R3.98287844 Oc1cc(O)cc2CC(OC(=O)c12)c3ccc(O)cc3 Amb22172756 [0,1,0,0,0,0|2,0,1]=4 40 B22R3.98287844 Oc1cc(O)cc2OC(=CC(=O)c12)c3ccc(Cl)cc3 Amb20241798 [0,1,0,0,0,0|0,0,0]=1 41 B22R3.98287844 Oc1cc(O)cc2OC(=CC(=O)c12)c3ccc(O)cc3 Amb18511397 [0,1,0,0,0,0|0,0,0]=1 42 B22R3.98287844 Oc1cc(O)cc2OC(=CC(O)c12)c3ccc(O)cc3 Amb22584583 [0,1,0,0,0,0|0,0,2]=3 43 B22R3.98287844 Oc1ccc(cc1)C2CC(=O)c3c(O2)cc(cc3O)O Amb17618270 [0,1,0,0,0,0|0,0,2]=3 44 B22R3.121441578 COc1cc(O)c2c(c1)OC(=CC2=O)c3ccccc3 Amb18011138 [0,1,0,0,0,0|0,0,0]=1 45 B22R3.121441578 COc1cc(O)c2c(c1)oc(cc2=O)c3ccccc3 Amb1395283 [0,1,0,0,0,0|0,0,0]=1 46 B22R3.121441578 COc1cc2O[C@@H](CC(=O)c2c(O)c1)c3ccccc3 Amb18511610 [0,1,0,0,0,0|0,0,2]=3 47 B20R2.23087 CC1=CC(O)=C(C(=O)O1)C(=O)\C=C\c2ccccc2 Amb18548626 [0,0,1,0,0,0|2,0,1]=4 48 B20R2.23087 Cc1cc(C)c(c(c1)C)C(=O)\C=C\c2ccccc2 Amb17596891 [0,0,1,0,0,0|3,0,0]=4 49 B20R2.23087 Cc1cc(O)c(c(c1)O)C(=O)COc2ccccc2 Amb1200834 [0,0,1,0,0,0|2,0,1]=4 50 B20R2.23087 Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1 Amb22741237 [0,0,1,0,0,0|0,0,0]=1 51 B19R2.4531 Cc1cc(C)c(cc1)C(=O)C=Cc2ccccc2 Amb24059896 [1,0,1,0,0,0|2,0,0]=4 52 B19R2.4531 Cc1cc(O)c(cc1)C(=O)C=Cc2ccccc2 Amb24060074 [1,0,1,0,0,0|1,0,0]=3 53 B19R2.4531 Cc1ccc(c(c1)O)C(=O)\C=C\c2cccnc2 Amb1330250 [1,0,1,0,0,0|2,0,0]=4 54 B19R2.4531 Fc1ccc(c(c1)O)C(=O)\C=C\c2cccnc2 Amb10766400 [1,0,1,0,0,0|2,0,0]=4 55 B19R2.4531 Oc1cc(O)c(cc1)C(=O)\C=C\c2cccc[n]2 Amb23456354 [1,0,1,0,0,0|1,0,0]=3 56 B19R2.4531 Oc1ccc(C(=O)NCc2ccccc2)c(O)c1 Amb25096883 [1,0,1,0,0,0|1,0,1]=4 57 B19R2.62092 Oc1cccc(OCc2ccccc2)c1C(O)=O Amb18664777 [1,0,1,0,0,0|1,0,1]=4 58 B19R2.103373 CC(=O)c1ccc(O)cc1OCc2ccccc2 Amb25385790 [1,0,1,0,0,0|0,0,2]=4 59 B19R2.4537 Oc1cc(Br)ccc1\C=C\C(=O)c2ccccc2 Amb23523191 [1,0,1,0,0,0|1,0,1]=4 60 B19R2.5647 O=C(c1ccccc1)NC(=O)c2ccccc2O Amb1893471 [1,0,1,0,0,0|1,0,1]=4 61 B19R2.5647 O\C(=C/C(=O)c1ccccc1O)\c2ccccc2 Amb18663639 [1,0,1,0,0,0|0,0,0]=2 62 B19R2.12286 Cc1ccc(cc1)C(=O)\C=C(/O)\c2c[n]ccc2 Amb23539636 [1,0,1,0,0,0|2,0,0]=4 63 B19R2.12286 Cc1ccc(cc1)C(=O)\C=C(/O)\c2cc[n]cc2 Amb23539639 [1,0,1,0,0,0|2,0,0]=4 64 B19R2.12286 Cc1ccc(cc1)C(=O)\C=C(/O)\c2cccc[n]2 Amb23539648 [1,0,1,0,0,0|2,0,0]=4 65 B19R2.12286 O\C(=C/C(=O)c1ccc(Cl)cc1)\c2c[n]ccc2 Amb23539611 [1,0,1,0,0,0|2,0,0]=4 66 B19R2.12286 O\C(=C/C(=O)c1ccc(Cl)cc1)\c2cc[n]cc2 Amb23539526 [1,0,1,0,0,0|2,0,0]=4 67 B19R2.12286 O\C(=C/C(=O)c1ccc(F)cc1)\c2c[n]ccc2 Amb23539473 [1,0,1,0,0,0|2,0,0]=4 68 B19R2.12286 O\C(=C/C(=O)c1ccc(F)cc1)\c2cc[n]cc2 Amb23539646 [1,0,1,0,0,0|2,0,0]=4 69 B19R2.12286 O\C(=C/C(=O)c1ccc(F)cc1)\c2cccc[n]2 Amb23539649 [1,0,1,0,0,0|2,0,0]=4 70 B19R3.4010 Brc1cc2[n]c(ccc2cc1)-c3ccccc3 Amb21858682 [2,0,0,0,0,0|2,0,0]=4 71 B19R3.4010 Cc1cc2[n]c(ccc2cc1)-c3ccccc3 Amb21858711 [2,0,0,0,0,0|2,0,0]=4 72 B19R3.4010 Clc1cc2[n]c(ccc2cc1)-c3ccccc3 Amb22002031 [2,0,0,0,0,0|2,0,0]=4 73 B19R3.4010 Nc1ccc2c(c1)nc(cc2)c3ccccc3 Amb17596001 [2,0,0,0,0,0|2,0,0]=4 74 B19R3.4010 Oc1cc2[n]c(ccc2cc1)-c3ccccc3 Amb21858746 [2,0,0,0,0,0|1,0,0]=3 75 B19R3.8275 Cc1cccc2[n]c(ccc21)-c3ccccc3 Amb21858723 [2,0,0,0,0,0|2,0,0]=4 76 B19R3.8275 Clc1cccc2[n]c(ccc21)-c3ccccc3 Amb22433678 [2,0,0,0,0,0|2,0,0]=4 77 B19R3.8275 Fc1cccc2[n]c(ccc21)-c3ccccc3 Amb22755092 [2,0,0,0,0,0|2,0,0]=4 78 B19R3.8275 Oc1cccc2[n]c(ccc21)-c3ccccc3 Amb21858733 [2,0,0,0,0,0|1,0,0]=3 79 B19R3.9171 Brc1cc(nc2c1cccc2)c3ccccc3 Amb10240774 [2,0,0,0,0,0|2,0,0]=4 80 B19R3.9171 Cc1cc([o+]c2c1cccc2)c3ccccc3 Amb16226987 [2,0,0,0,0,0|1,0,1]=4 81 B19R3.9171 Cc1cc([se+]c2ccccc21)-c3ccccc3 Amb22345582 [2,0,0,0,0,0|1,1,0]=4 82 B19R3.9171 Cc1cc(nc2c1cccc2)c3ccccc3 Amb2327699 [2,0,0,0,0,0|2,0,0]=4 83 B19R3.9171 Fc1cc([n]c2ccccc21)-c3ccccc3 Amb22755088 [2,0,0,0,0,0|2,0,0]=4 84 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 Amb1104039 [2,0,0,0,0,0|2,0,0]=4 85 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 Amb16207344 [2,0,0,0,0,0|2,0,0]=4 86 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 Amb16208015 [2,0,0,0,0,0|2,0,0]=4 87 B19R3.9171 O=C1C=C(N=C2C=CC=CN21)c3ccccc3 Amb19551226 [2,0,0,0,0,0|2,0,0]=4 88 B19R3.9171 O=C1C=C(Nc2ccccc21)c3c[n]ccc3 Amb22371331 [2,0,0,0,0,0|2,0,0]=4 89 B19R3.9171 O=C1C=C(Nc2ccccc21)c3ccccc3 Amb20247405 [2,0,0,0,0,0|1,0,0]=3 90 B19R3.9171 O=C1C=C(Oc2ccccc21)c3c[n]ccc3 Amb18009821 [2,0,0,0,0,0|1,0,0]=3 91 B19R3.9171 O=C1C=C(Oc2ccccc21)c3cc[n]cc3 Amb20027795 [2,0,0,0,0,0|1,0,0]=3 92 B19R3.9171 O=C1C=C(Oc2ccccc21)c3cccc[n]3 Amb24070300 [2,0,0,0,0,0|1,0,0]=3 93 B19R3.9171 O=C1C=C(Oc2ccccc21)c3ccccc3 Amb18511585 [2,0,0,0,0,0|0,0,0]=2 94 B19R3.9171 O=C1C=C(Sc2ccccc21)c3ccccc3 Amb19666767 [2,0,0,0,0,0|0,1,0]=3 95 B19R3.9171 O=C1C=C([Se]c2ccccc21)c3ccccc3 Amb19200783 [2,0,0,0,0,0|0,1,0]=3 96 B19R3.9171 O=C1CC(Oc2c1cccc2)c3ccccc3 Amb1232854 [2,0,0,0,0,0|0,0,2]=4 97 B19R3.9171 O=C1N=C(Nc2ccccc21)c3ccccc3 Amb20621986 [2,0,0,0,0,0|2,0,0]=4 98 B19R3.9171 O=C1N=C(Oc2ccccc21)c3ccccc3 Amb22366746 [2,0,0,0,0,0|1,0,0]=3 99 B19R3.9171 O=C1NB(Oc2ccccc21)c3ccccc3 Amb22433487 [2,0,0,0,0,0|2,0,0]=4 100 B19R3.9171 O=C1NC(=Cc2ccccc21)c3ccccc3 Amb21948315 [2,0,0,0,0,0|2,0,0]=4 101 B19R3.9171 O=C1NC(=Nc2ccccc21)c3ccccc3 Amb17997264 [2,0,0,0,0,0|2,0,0]=4 102 B19R3.9171 O=C1OC(=Cc2ccccc21)c3ccccc3 Amb19752055 [2,0,0,0,0,0|2,0,0]=4 103 B19R3.9171 O=C1OC(=Nc2ccccc21)c3ccccc3 Amb19115379 [2,0,0,0,0,0|2,0,0]=4 104 B19R3.9171 O=C1[NH+]=C(Sc2ccccc12)c3ccccc3 Amb20661024 [2,0,0,0,0,0|1,1,0]=4 105 B19R3.9171 O=c1oc(cc2c1cccc2)c3ccccc3 Amb1789165 [2,0,0,0,0,0|2,0,0]=4 106 B19R3.9171 OC1C=C(Oc2ccccc21)c3ccccc3 Amb24070295 [2,0,0,0,0,0|0,0,2]=4 107 B19R3.9171 Oc1cc(cc2c1cccc2)c3ccccc3 Amb2227691 [2,0,0,0,0,0|1,0,1]=4 108 B19R3.9171 Oc1cc(nc2c1cccc2)c3ccccc3 Amb16208024 [2,0,0,0,0,0|1,0,1]=4 109 B19R3.9171 S=C1C=C(Sc2ccccc21)c3ccccc3 Amb22078054 [2,0,0,0,0,0|0,2,0]=4 110 B21R2.362231 Oc1cc(O)c(c(c1)O)C(=O)COc2ccc(cc2)F Amb1418992 [0,1,1,0,0,0|1,0,1]=4 111 B21R2.16140 COc1cc(O)c(c(c1)\C=C\c2ccccc2)C(O)=O Amb24326120 [0,1,1,0,0,0|2,0,0]=4 112 B21R3.3760005 Oc1cc(O)cc2[o+]c(ccc12)-c3ccc(O)cc3 Amb22729299 [1,1,0,0,0,0|0,0,1]=3 113 B21R3.416805 Oc1c2C(=O)C=C(Oc2ccc1O)c3ccccc3 Amb21928434 [1,1,0,0,0,0|0,0,0]=2 114 B21R3.434484 Nc1ccc(O)c2C(=O)C=C(Oc21)c3ccccc3 Amb24079281 [1,1,0,0,0,0|0,0,0]=2 115 B21R3.434484 Oc1ccc(O)c2C(=O)C=C(Oc12)c3ccccc3 Amb22731824 [1,1,0,0,0,0|0,0,0]=2 116 B21R3.727497 COc1cccc2OC(=CC(=O)c12)c3ccccc3 Amb18511588 [1,1,0,0,0,0|0,0,0]=2 117 B21R3.727497 COc1cccc2c1c(O)cc(n2)c3ccccc3 Amb10604525 [1,1,0,0,0,0|1,0,1]=4 118 B21R3.6683673 Oc1cccc2OC(c3ccccc3)=C(O)C(=O)c12 Amb21928430 [1,1,0,0,0,0|0,0,0]=2 119 B21R3.23131681 Nc1cccc2OC(=CC(=O)c12)c3cc(N)ccc3 Amb24079259 [1,1,0,0,0,0|1,0,0]=3 120 B21R3.23131681 Nc1cccc2OC(=CC(=O)c21)c3cc(O)ccc3 Amb24079260 [1,1,0,0,0,0|1,0,0]=3 121 B21R3.23131681 Oc1cccc2OC(=CC(=O)c12)c3cc(O)ccc3 Amb21928433 [1,1,0,0,0,0|0,0,0]=2 122 B21R3.24014889 Oc1ccccc1C2=CC(=O)c3c(cccc3O)O2 Amb21928432 [1,1,0,0,0,0|0,0,0]=2 123 B21R3.50471385 Cc1cccc2OC(=CC(=O)c21)c3ccc(Cl)cc3 Amb19667929 [1,1,0,0,0,0|1,0,0]=3 124 B21R3.50471385 Nc1cccc2OC(=CC(=O)c12)c3ccc(N)cc3 Amb24079263 [1,1,0,0,0,0|1,0,0]=3 125 B21R3.50471385 Nc1cccc2OC(=CC(=O)c21)c3ccc(O)cc3 Amb24079264 [1,1,0,0,0,0|1,0,0]=3 126 B21R3.50471385 Oc1cccc2C=C(OC(=O)c21)c3ccc(Cl)cc3 Amb22439138 [1,1,0,0,0,0|2,0,0]=4 127 B21R3.50471385 Oc1cccc2OC(=CC(=O)c12)c3ccc(O)cc3 Amb20665355 [1,1,0,0,0,0|0,0,0]=2 128 B21R3.649532 Cc1cc2OC(=CC(=O)c2cc1)c3ccc(Cl)cc3 Amb19520565 [1,1,0,0,0,0|1,0,0]=3 129 B21R3.649532 Cc1cc2OC(=CC(=O)c2cc1)c3ccc(F)cc3 Amb19520508 [1,1,0,0,0,0|1,0,0]=3 130 B21R3.649532 Cc1ccc(cc1)C2=CC(=O)c3ccc(C)cc3O2 Amb19520552 [1,1,0,0,0,0|1,0,0]=3 131 B21R3.649532 Clc1ccc(cc1)c2cc(=O)c3c(o2)cc(cc3)C Amb1265883 [1,1,0,0,0,0|1,0,0]=3 132 B21R3.649532 Clc1ccc(cc1)c2cc(=O)c3c(o2)cc(cc3)O Amb2570001 [1,1,0,0,0,0|0,0,0]=2 133 B21R3.649532 Nc1ccc(cc1)C2=CC(=O)c3ccc(Cl)cc3O2 Amb18537227 [1,1,0,0,0,0|1,0,0]=3 134 B21R3.649532 Nc1ccc(cc1)C2=CC(=O)c3ccc(N)cc3O2 Amb24079276 [1,1,0,0,0,0|1,0,0]=3 135 B21R3.649532 Nc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2 Amb24079221 [1,1,0,0,0,0|0,0,0]=2 136 B21R3.649532 Oc1cc2OC(=CC(=O)c2cc1)c3ccc(Cl)cc3 Amb19952368 [1,1,0,0,0,0|0,0,0]=2 137 B21R3.649532 Oc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2 Amb18511661 [1,1,0,0,0,0|0,0,0]=2 138 B21R3.787770 COc1cc2NC(=CC(=O)c2cc1)c3ccccc3 Amb18011833 [1,1,0,0,0,0|1,0,0]=3 139 B21R3.787770 COc1cc2SC(=CC(=O)c2cc1)c3ccccc3 Amb21973097 [1,1,0,0,0,0|0,1,0]=3 140 B21R3.787770 COc1ccc2c(c1)OC(=CC2=O)c3ccccc3 Amb18511670 [1,1,0,0,0,0|0,0,0]=2 141 B21R3.787770 COc1ccc2c(c1)OC(=CC2=S)c3ccccc3 Amb22551501 [1,1,0,0,0,0|0,1,0]=3 142 B21R3.787770 COc1ccc2c(c1)nc(cc2Cl)c3ccccc3 Amb10240766 [1,1,0,0,0,0|2,0,0]=4 143 B21R3.787770 COc1ccc2c(c1)sc(cc2=O)c3ccccc3 Amb2229782 [1,1,0,0,0,0|0,1,0]=3 144 B21R3.3823543 Cc1cc2OC(=CC(=O)c2cc1)c3cc(Br)ccc3 Amb19524698 [1,1,0,0,0,0|1,0,0]=3 145 B21R3.3823543 Cc1cc2OC(=CC(=O)c2cc1)c3cc(F)ccc3 Amb20032033 [1,1,0,0,0,0|1,0,0]=3 146 B21R3.3823543 Oc1cc2OC(=CC(=O)c2cc1)c3cc(F)ccc3 Amb22552100 [1,1,0,0,0,0|0,0,0]=2 147 B21R3.3823543 Oc1cc2OC(=CC(=O)c2cc1)c3cc(O)ccc3 Amb21928436 [1,1,0,0,0,0|0,0,0]=2 148 B21R3.6927174 Cc1cc2OC(=CC(=O)c2cc1Cl)c3ccccc3 Amb19666822 [1,1,0,0,0,0|1,0,0]=3 149 B21R3.6927174 Oc1cc2C(=O)C=C(Oc2cc1O)c3ccccc3 Amb18511581 [1,1,0,0,0,0|0,0,0]=2 150 B21R3.7155654 CC=1C(=O)c2ccc(O)cc2OC1c3ccccc3 Amb21928493 [1,1,0,0,0,0|0,0,0]=2 151 B21R3.7155654 Nc1cc2OC(=C(O)C(=O)c2cc1)c3ccccc3 Amb24079277 [1,1,0,0,0,0|1,0,0]=3 152 B21R3.7155654 Oc1cc2OC(c3ccccc3)=C(O)C(=O)c2cc1 Amb18511660 [1,1,0,0,0,0|0,0,0]=2 153 B21R3.7155654 Oc1cc2OC(c3ccccc3)=C(O)C(=O)c2cc1 Amb19954843 [1,1,0,0,0,0|0,0,0]=2 154 B21R3.7155654 Oc1ccc2c(c1)oc(c(c2=O)O)c3ccccc3 Amb10070075 [1,1,0,0,0,0|0,0,0]=2 155 B21R3.7157788 Cc1ccccc1C2=CC(=O)c3ccc(C)cc3O2 Amb24079261 [1,1,0,0,0,0|1,0,0]=3 156 B21R3.7157788 Oc1ccccc1C2=CC(=O)c3ccc(O)cc3O2 Amb20665301 [1,1,0,0,0,0|0,0,0]=2 157 B21R3.7157819 O=C1C=C(Nc2c(F)c(Cl)ccc21)c3ccccc3 Amb21858615 [1,1,0,0,0,0|2,0,0]=4 158 B21R3.7157819 Oc1c2OC(=CC(=O)c2ccc1O)c3ccccc3 Amb18511582 [1,1,0,0,0,0|0,0,0]=2 159 B21R3.7157819 Oc1ccc2C(=O)CC(Oc2c1O)c3ccccc3 Amb21928157 [1,1,0,0,0,0|0,0,2]=4 160 B23R3.71761172 Oc1ccc(cc1)OC2=CC(=O)c3c(cc(O)cc3O)O2 Amb22172819 [0,1,0,0,0,1|0,0,0]=2 161 B23R3.2128607 COc1c(O)c2c(cc1O)OC(=CC2=O)c3ccccc3 Amb19928490 [0,2,0,0,0,0|0,0,0]=2 162 B23R3.7367807 COc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3 Amb18511658 [0,2,0,0,0,0|0,0,0]=2 163 B23R3.71772102 Oc1c(O)c2C(=O)C=C(Oc2cc1O)c3ccc(O)cc3 Amb18511696 [0,2,0,0,0,0|0,0,0]=2 164 B23R3.71772102 Oc1ccc(cc1)C2CC(=O)c3c(O2)cc(c(c3O)O)O Amb16182734 [0,2,0,0,0,0|0,0,2]=4 165 B23R3.73203049 Cc1c(Cl)c(C)cc2OC(=CC(=O)c12)c3cc(N)ccc3 Amb18034322 [0,2,0,0,0,0|2,0,0]=4 166 B23R3.28411805 COc1cc(OC)c2c(=O)cc(oc2c1)-c3cc[n]cc3 Amb24081312 [0,2,0,0,0,0|1,0,0]=3 167 B23R3.28411805 COc1cc(cc2OC(=CC(=O)c21)c3ccccc3)OC Amb18480889 [0,2,0,0,0,0|0,0,0]=2 168 B23R3.28411805 COc1cc(cc2oc(cc(=O)c21)-c3c[n]ccc3)OC Amb24081310 [0,2,0,0,0,0|1,0,0]=3 169 B23R3.29715607 COc1cc(O)cc2OC(=CC(=O)c12)c3ccc(O)cc3 Amb22172907 [0,2,0,0,0,0|0,0,0]=2 170 B23R3.29715607 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccc(O)cc3 Amb22748585 [0,2,0,0,0,0|0,0,2]=4 171 B23R3.109257528 CCOc1cc(O)cc2OC(=CC(=O)c12)c3ccccc3 Amb19935809 [0,2,0,0,0,0|0,0,0]=2 172 B23R3.71361071 Oc1cc(O)cc2O[C@@H](CC(=O)c12)c3cc(O)cc(O)c3 Amb22748379 [0,2,0,0,0,0|0,0,2]=4 173 B23R3.76672529 Cc1cc(C)cc2OC(=CC(=O)c12)c3cc(N)ccc3Cl Amb18034314 [0,2,0,0,0,0|2,0,0]=4 174 B23R3.184688319 Cc1cc(C)cc2OC(=CC(=O)c12)c3cc(N)c(Cl)cc3 Amb18034291 [0,2,0,0,0,0|2,0,0]=4 175 B23R3.184688319 Cc1ccc(cc1N)C2=CC(=O)c3c(cc(C)cc3C)O2 Amb18034283 [0,2,0,0,0,0|2,0,0]=4 176 B23R3.184688319 OC1=CC2OC(=CC(=O)C2C(=C1)O)c3ccc(c(c3)O)O Amb16182623 [0,2,0,0,0,0|0,0,2]=4 177 B23R3.184688319 Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c3ccc(c(c3)O)O Amb16192979 [0,2,0,0,0,0|0,0,2]=4 178 B23R3.184688319 Oc1cc2O[C@H](CC(=O)c2c(c1)O)c3ccc(c(c3)O)O Amb10072177 [0,2,0,0,0,0|0,0,2]=4 179 B23R3.184688319 Oc1ccc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511398 [0,2,0,0,0,0|0,0,0]=2 180 B23R3.184688319 Oc1ccc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb21929356 [0,2,0,0,0,0|0,0,0]=2 181 B23R3.49869030 COc1ccccc1C2=CC(=O)c3c(cc(O)cc3O)O2 Amb24070322 [0,2,0,0,0,0|0,0,0]=2 182 B23R3.87754748 Oc1cc2OC(c3ccccc3O)=C(O)C(=O)c2c(O)c1 Amb18511625 [0,2,0,0,0,0|0,0,0]=2 183 B23R3.87754748 Oc1cc2O[C@H](c3ccccc3O)[C@H](C(=O)c2c(c1)O)O Amb15770240 [0,2,0,0,0,0|0,0,2]=4 184 B23R3.141435328 Oc1cc(O)cc2OC(=CC(=O)c12)c3c(O)cccc3O Amb22173669 [0,2,0,0,0,0|0,0,0]=2 185 B23R3.141435328 Oc1cc2OC(CC(=O)c2c(O)c1)c3c(O)cccc3O Amb22168557 [0,2,0,0,0,0|0,0,2]=4 186 B23R3.141435328 Oc1cc2O[C@@H](CC(=O)c2c(O)c1)c3c(O)cccc3O Amb24325992 [0,2,0,0,0,0|0,0,2]=4 187 B23R3.438268709 Oc1cc(O)c(cc1)[C@@H]2CC(=O)c3c(cc(O)cc3O)O2 Amb24107099 [0,2,0,0,0,0|0,0,2]=4 188 B23R3.2166815 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3 Amb19928303 [0,2,0,0,0,0|0,0,0]=2 189 B23R3.71745916 CC=1C(=O)c2c(cc(O)cc2O)OC1c3ccc(F)cc3 Amb24070308 [0,2,0,0,0,0|0,0,0]=2 190 B23R3.71745916 Oc1cc(O)cc2OC(c3ccc(O)cc3)=C(O)C(=O)c12 Amb18511400 [0,2,0,0,0,0|0,0,0]=2 191 B23R3.71745916 Oc1cc(O)cc2OC(c3ccc(O)cc3)=C(O)C(O)c12 Amb22731800 [0,2,0,0,0,0|0,0,2]=4 192 B23R3.71745916 Oc1ccc(cc1)[C@H]2Oc3cc(O)cc(c3C(=O)[C@@H]2O)O Amb16192992 [0,2,0,0,0,0|0,0,2]=4 193 B23R3.94558962 CC=1C(=O)c2c(OC1c3ccccc3)c(N)c(Cl)cc2Cl Amb22475011 [0,2,0,0,0,0|2,0,0]=4 194 B23R3.199763632 COc1cc(O)c2c(c1)OC(=C(O)C2=O)c3ccccc3 Amb22174066 [0,2,0,0,0,0|0,0,0]=2 195 B23R3.6468498 COc1c2OC(=CC(=O)c2c(O)cc1O)c3ccccc3 Amb18511675 [0,2,0,0,0,0|0,0,0]=2 196 B23R3.230434010 COc1cc(O)c2c(c1C)OC(CC2=O)c3ccccc3 Amb16200049 [0,2,0,0,0,0|0,0,2]=4 197 B23R3.422001140 Oc1cc(O)cc2OC(O)(CC(=O)c12)c3ccc(O)cc3 Amb22172861 [0,2,0,0,0,0|0,0,2]=4 198 B23R3.9068341 COc1ccc(cc1)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511409 [0,2,0,0,0,0|0,0,0]=2 199 B23R3.199765921 COc1cc(O)c2c(c1)OC(=CC2=O)c3ccc(O)cc3 Amb18511628 [0,2,0,0,0,0|0,0,0]=2 200 B23R3.124085909 CCOc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3 Amb18009988 [0,2,0,0,0,0|0,0,0]=2 201 B23R3.124085909 CCOc1cc(O)c2c(c1)oc(cc2=O)c3ccccc3 Amb1394978 [0,2,0,0,0,0|0,0,0]=2 202 B21R3.4952563 Oc1cc(O)c2c(c1)oc(=O)cc2c3ccccc3 Amb1266197 [0,0,1,1,0,0|2,0,0]=4 203 B21R3.4952563 Oc1cc(O)cc2OC(=O)C=C(c12)c3ccccc3 Amb17987788 [0,0,1,1,0,0|2,0,0]=4 204 B21R3.12379150 Cc1cc(O)c2C(=O)\C(=C\c3cccc[n]3)\Oc2c1 Amb23522398 [0,0,1,1,0,0|2,0,0]=4 205 B21R3.12379150 Cc1cc(O)cc2O\C(=C/c3cccc[n]3)\C(=O)c21 Amb19831740 [0,0,1,1,0,0|2,0,0]=4 206 B21R3.12379150 Cc1cc(O)cc2O\C(=C\c3cccc[n]3)\C(=O)c21 Amb21975558 [0,0,1,1,0,0|2,0,0]=4 207 B21R3.165419 Oc1cc(O)ccc1C2=CC(=O)c3ccccc3O2 Amb21928428 [0,0,1,1,0,0|0,0,2]=4 208 B21R3.7123795 Oc1cc2Oc3c(C(=O)c2c(O)c1)c(O)ccc3O Amb20622148 [0,0,1,1,0,0|2,0,0]=4 209 B21R3.10410423 COc1cccc2c1Oc3cc(O)cc(O)c3C2=O Amb19119975 [0,0,1,1,0,0|1,0,1]=4 210 B19R2.60510 Oc1cc(O)c(c(c1)O)C(=O)Cc2ccccn2 Amb1486548 [0,0,1,0,1,0|1,0,1]=4 211 B19R2.4529 Oc1ccc(c(c1)O)C(=O)N(c2ccccc2)C Amb10574719 [0,0,1,0,1,0|2,0,0]=4 212 B19R3.439122 Cc1cc2OC(=CC(=O)c2cc1)c3ccco3 Amb19520588 [1,0,0,0,1,0|2,0,0]=4 213 B19R3.439122 Cc1ccc2c(c1)oc(cc2=O)c3ccco3 Amb1031876 [1,0,0,0,1,0|2,0,0]=4 214 B21R2.108525 Oc1ccc(c(c1)O)C(=O)COC(=O)c2ccccc2 Amb148523 [0,0,1,0,0,1|0,0,2]=4 215 B21R2.108525 Oc1ccc(c(c1)O)C(=O)OCC(=O)c2ccccc2 Amb1289498 [0,0,1,0,0,1|0,0,2]=4 216 B21R3.6562530 Cc1cc(C)cc2C(=O)C=C(Oc12)c3ccccc3 Amb22551879 [0,0,0,0,1,1|2,0,0]=4 217 B21R3.6562530 O=C1C=C(Oc2c1cc(Br)cc2Br)c3ccccc3 Amb20665778 [0,0,0,0,1,1|2,0,0]=4 218 B21R3.6562530 O=C1C=C(Oc2c1cc(Cl)cc2Cl)c3ccccc3 Amb20665779 [0,0,0,0,1,1|2,0,0]=4 219 B21R3.29513194 Cc1cc(O)cc2OC=C(C(=O)c21)c3ccccc3 Amb20621416 [0,0,0,0,1,1|1,0,0]=3 220 B21R3.29513194 Oc1cc(O)cc2OC=C(C(=O)c12)c3cccc[n]3 Amb17988982 [0,0,0,0,1,1|1,0,0]=3 221 B21R3.29513194 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccccc3 Amb18048930 [0,0,0,0,1,1|0,0,0]=2