0 B16R1.602 CC(=C)CCc1ccc(cc1)C(C)C(O)=O Amb24106879 [0,0,0,0,0,0|1,0,0]=1 1 B16R1.602 CC(=C)CNc1ccc(cc1)C(C)C(O)=O Amb22054258 [0,0,0,0,0,0|0,0,0]=0 2 B16R1.602 CC(C)=CCc1ccc(cc1)C(C)C(O)=O Amb24092717 [0,0,0,0,0,0|1,0,2]=3 3 B16R1.602 CC(C)CCc1ccc(cc1)C(C)C(O)=O Amb22339300 [0,0,0,0,0,0|1,0,2]=3 4 B16R1.602 CC(C)CCc1ccc(cc1)C(C)C(O)=O Amb24106882 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.55 CC(C(O)=O)c1ccc(cc1)NCC=C Amb24089852 [1,0,0,0,0,0|0,0,0]=1 6 B15R1.55 CC(c1ccc(cc1)OCCO)C(O)=O Amb24090010 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.55 CCCCc1ccc(cc1)C(C(=O)O)C Amb17194944 [1,0,0,0,0,0|1,0,1]=3 8 B15R1.55 CCCCc1ccc(cc1)[C@@H](C)C(O)=O Amb19889507 [1,0,0,0,0,0|1,0,1]=3 9 B15R1.55 CCCCc1ccc(cc1)[C@H](C)C(O)=O Amb19889505 [1,0,0,0,0,0|1,0,1]=3 10 B15R1.55 CCCOc1ccc(cc1)C(C(=O)O)N Amb2235160 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.499 CC(=C)COc1ccc(cc1)NC(=O)C Amb2051699 [1,0,0,0,0,0|3,0,0]=4 12 B15R1.499 CC(C)CCc1ccc(CC(O)=O)cc1 Amb24100676 [1,0,0,0,0,0|1,0,2]=4 13 B15R1.499 CC(CNc1ccc(cc1)CC(=O)O)C Amb17305898 [1,0,0,0,0,0|0,0,2]=3 14 B17R1.1190 CC(=O)N(C)c1ccc(cc1)NCC(=O)NC Amb20173581 [0,1,0,0,0,0|3,0,0]=4 15 B17R1.1764 CC(=C)CNc1ccc(cc1)C(C)C(=O)OC Amb24105624 [0,1,0,0,0,0|0,0,0]=1 16 B17R1.16372 CC(C)(C(O)=O)c1ccc(cc1)OCC(C)C Amb19292802 [0,1,0,0,0,0|1,0,2]=4 17 B17R1.104611 CC(C)C(=O)Nc1ccc(cc1)C(C)C(O)=O Amb25634277 [0,1,0,0,0,0|0,0,3]=4 18 B17R1.104611 OC(=O)C(Cc1ccc(cc1)C(C(=O)O)C)C Amb17615992 [0,1,0,0,0,0|3,0,0]=4 19 B17R2.19728 CC(C(O)=O)c1cc2NC(=O)COc2cc1 Amb18245651 [0,0,0,1,0,0|3,0,0]=4 20 B17R2.19728 CC(C(O)=O)c1cc2NC(=O)CSc2cc1 Amb18246583 [0,0,0,1,0,0|3,0,0]=4 21 B17R2.38020 CC(=O)CCc1cc2OC(=O)N(C)c2cc1 Amb18896690 [0,0,0,1,0,0|3,0,0]=4 22 B15R1.12250 CC(=Cc1ccc(cc1)C(C(=O)O)C)C Amb17617740 [0,0,0,0,1,0|0,0,2]=3 23 B15R1.12250 CC(=O)Nc1ccc(cc1)C(C)C(O)=O Amb23441144 [0,0,0,0,1,0|1,0,0]=2 24 B15R1.12250 CC(=O)Nc1ccc(cc1)N(C(=O)C)C Amb1019452 [0,0,0,0,1,0|3,0,0]=4 25 B15R1.12250 CC(C(O)=O)c1ccc(C=C(Cl)Cl)cc1 Amb24089854 [0,0,0,0,1,0|2,0,1]=4 26 B15R1.12250 CC(C(O)=O)c1ccc(cc1)NC(N)=O Amb18656114 [0,0,0,0,1,0|2,0,0]=3 27 B15R1.12250 CC(C)Cc1ccc(cc1)C(C)C(O)=O Amb21926586 [0,0,0,0,1,0|0,0,2]=3 28 B15R1.12250 CC(C)Cc1ccc(cc1)C(C)C(O)=O Amb22733965 [0,0,0,0,1,0|0,0,2]=3 29 B15R1.12250 CC(C)Cc1ccc(cc1)C(C)C(O)=O Amb22753034 [0,0,0,0,1,0|0,0,2]=3 30 B15R1.12250 CC(C)Cc1ccc(cc1)C(N)C(O)=O Amb18865608 [0,0,0,0,1,0|1,0,2]=4 31 B15R1.12250 CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O Amb19132774 [0,0,0,0,1,0|0,0,2]=3 32 B15R1.12250 CC(C)Nc1ccc(cc1)C(C)C(O)=O Amb25725889 [0,0,0,0,1,0|0,0,2]=3 33 B15R1.12250 CC(C[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(C(=O)O)C)C Amb17615989 [0,0,0,0,1,0|0,0,2]=3 34 B15R1.12250 CC(Cc1ccc(cc1)C(C(=O)Cl)C)C Amb10070050 [0,0,0,0,1,0|1,0,2]=4 35 B15R1.12250 CC(Cc1ccc(cc1)C(C(=O)O)C)C Amb1865611 [0,0,0,0,1,0|0,0,2]=3 36 B15R1.12250 CC(Cc1ccc(cc1)C(C(=O)O)Cl)C Amb17247525 [0,0,0,0,1,0|1,0,2]=4 37 B15R1.12250 CC(Cc1ccc(cc1)C(C(=O)O)O)C Amb17239768 [0,0,0,0,1,0|1,0,2]=4 38 B15R1.12250 CC(Cc1ccc(cc1)C(C(=O)[O-])C)C Amb15695626 [0,0,0,0,1,0|0,0,3]=4 39 B15R1.12250 CC(Cc1ccc(cc1)[C@H](C(=O)O)C)C Amb17615994 [0,0,0,0,1,0|0,0,2]=3 40 B15R1.12250 CC(Oc1ccc(cc1)C(C(=O)O)C)C Amb17239778 [0,0,0,0,1,0|1,0,2]=4 41 B15R1.12250 CS(=O)Nc1ccc(cc1)C(C)C(O)=O Amb24610905 [0,0,0,0,1,0|2,0,0]=3 42 B17R1.9287 CC(C)CCc1ccc(cc1)C(C)CC(O)=O Amb22339299 [0,0,0,0,0,1|1,0,2]=4 43 B17R1.9287 CC(C)COc1ccc(cc1)C(C)CC(O)=O Amb18071153 [0,0,0,0,0,1|1,0,2]=4 44 B17R1.9287 CC(CCc1ccc(cc1)C(CC(=O)O)C)C Amb16206720 [0,0,0,0,0,1|1,0,2]=4 45 B17R1.9288 CC(=O)CCc1ccc(cc1)OC(C)C(C)=O Amb22289131 [0,0,0,0,0,1|3,0,0]=4 46 B17R1.9288 CC(Oc1ccc(CCC(C)N)cc1)C(O)=O Amb23935432 [0,0,0,0,0,1|2,0,1]=4 47 B14R1.68 C=CCNc1ccc(cc1)CC(=O)O Amb17305887 [2,0,0,0,0,0|0,0,0]=2 48 B14R1.68 CC(=O)Nc1ccc(cc1)NCC=C Amb19060996 [2,0,0,0,0,0|2,0,0]=4 49 B14R1.68 CCCCc1ccc(cc1)CC(=O)O Amb1214254 [2,0,0,0,0,0|1,0,1]=4 50 B14R1.68 CCCNc1ccc(cc1)CC(=O)O Amb17305888 [2,0,0,0,0,0|0,0,1]=3 51 B14R1.68 CCCOc1ccc(cc1)CC(=O)O Amb2235600 [2,0,0,0,0,0|1,0,1]=4 52 B14R1.68 CSCCc1ccc(CC(O)=O)cc1 Amb20242947 [2,0,0,0,0,0|2,0,0]=4 53 B14R1.68 OCCNc1ccc(cc1)CC(=O)O Amb17305908 [2,0,0,0,0,0|1,0,1]=4 54 B14R1.141 CC(=O)C(C)c1ccc(cc1)NCC Amb24451609 [2,0,0,0,0,0|1,0,0]=3 55 B14R1.141 CC(C(O)=O)c1ccc(CC#N)cc1 Amb25684808 [2,0,0,0,0,0|1,0,1]=4 56 B14R1.141 CC(C(O)=O)c1ccc(cc1)NC=O Amb25258373 [2,0,0,0,0,0|1,0,0]=3 57 B14R1.141 CCCc1ccc(cc1)C(C(=O)O)C Amb17194656 [2,0,0,0,0,0|0,0,1]=3 58 B14R1.141 CCCc1ccc(cc1)C(C(=O)O)Cl Amb17241259 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.141 CCCc1ccc(cc1)C(C(=O)O)O Amb17235903 [2,0,0,0,0,0|1,0,1]=4 60 B14R1.141 CCCc1ccc(cc1)C(N)C(O)=O Amb18863818 [2,0,0,0,0,0|1,0,1]=4 61 B14R1.141 CCNc1ccc(cc1)C(C)C(O)=O Amb25803411 [2,0,0,0,0,0|0,0,0]=2 62 B14R1.141 CCOc1ccc(cc1)C(C(=O)O)C Amb17194723 [2,0,0,0,0,0|1,0,0]=3 63 B14R1.141 CCOc1ccc(cc1)C(C(=O)O)Cl Amb17241786 [2,0,0,0,0,0|2,0,0]=4 64 B14R1.141 CCOc1ccc(cc1)C(C(=O)O)N Amb1840335 [2,0,0,0,0,0|2,0,0]=4 65 B14R1.141 CCSc1ccc(cc1)C(C)C(O)=O Amb18896195 [2,0,0,0,0,0|1,0,0]=3 66 B14R1.141 CCSc1ccc(cc1)C(Cl)C(O)=O Amb18868875 [2,0,0,0,0,0|2,0,0]=4 67 B14R1.141 CCSc1ccc(cc1)C(N)C(O)=O Amb18225119 [2,0,0,0,0,0|2,0,0]=4 68 B14R1.141 CCSc1ccc(cc1)C(O)C(O)=O Amb18866336 [2,0,0,0,0,0|2,0,0]=4 69 B14R1.142 CC(=C)CNc1ccc(CC#N)cc1 Amb19070129 [2,0,0,0,0,0|1,0,1]=4 70 B14R1.142 CC(=C)COc1ccc(cc1)NC=O Amb25103226 [2,0,0,0,0,0|2,0,0]=4 71 B14R1.419 CC(=C)CNc1ccc(cc1)C(=O)C Amb17305961 [2,0,0,0,0,0|0,0,1]=3 72 B14R1.419 CC(=C)CNc1ccc(cc1)C(=O)N Amb17305845 [2,0,0,0,0,0|1,0,1]=4 73 B14R1.419 CC(=C)CNc1ccc(cc1)C(=O)O Amb17307045 [2,0,0,0,0,0|1,0,1]=4 74 B14R1.419 CC(=C)CNc1ccc(cc1)C(C)C Amb17306464 [2,0,0,0,0,0|0,0,1]=3 75 B14R1.419 CC(=C)CNc1ccc(cc1)N(C)C Amb17306929 [2,0,0,0,0,0|1,0,1]=4 76 B14R1.419 CC(=C)CNc1ccc(cc1)[N+]([O-])=O Amb19981126 [2,0,0,0,0,0|2,0,0]=4 77 B14R1.419 CC(=C)COc1ccc(cc1)C(N)C Amb17235161 [2,0,0,0,0,0|2,0,0]=4 78 B14R1.419 CC(=O)c1ccc(cc1)NCC(=C)Br Amb25037947 [2,0,0,0,0,0|1,0,1]=4 79 B14R1.419 CC(=O)c1ccc(cc1)NCC(=C)Cl Amb25234480 [2,0,0,0,0,0|1,0,1]=4 80 B14R1.419 CC(C)c1ccc(cc1)NCC(=C)Cl Amb25349126 [2,0,0,0,0,0|1,0,1]=4 81 B16R1.665 CCCCOc1ccc(cc1)C(C)C(O)=O Amb18069125 [1,1,0,0,0,0|1,0,1]=4 82 B16R1.2914 CCC(=O)Nc1ccc(cc1)C(C)C(O)=O Amb25634273 [1,1,0,0,0,0|0,0,2]=4 83 B16R1.6676 CCCOc1ccc(cc1)C(C(=O)O)(N)C Amb1017249 [1,1,0,0,0,0|1,0,1]=4 84 B16R1.6676 CCCOc1ccc(cc1)C(C)(N)C(O)=O Amb22291460 [1,1,0,0,0,0|1,0,1]=4 85 B16R1.1636 CC(C)Cc1ccc(cc1)C(C)C(=O)NO Amb20207677 [0,1,0,0,1,0|0,0,2]=4 86 B16R1.1677 CC(C)Cc1ccc(cc1)C(CC)C(O)=O Amb22339328 [0,1,0,0,1,0|0,0,2]=4 87 B16R1.1677 CCC(c1ccc(cc1)CC(C)C)C(=O)O Amb17244443 [0,1,0,0,1,0|0,0,2]=4 88 B16R1.4124 CC(c1ccc(cc1)CC(O)(C)C)C(=O)O Amb17615420 [0,1,0,0,1,0|0,0,2]=4 89 B16R1.18085 CC(Cc1ccc(cc1)C(C(=O)O)(C)C)C Amb17405575 [0,1,0,0,1,0|0,0,2]=4 90 B16R1.18085 CC(Cc1ccc(cc1)C(C(=O)O)(O)C)C Amb16206669 [0,1,0,0,1,0|0,0,2]=4 91 B16R1.24540 CC(C(c1ccc(cc1)C(C(=O)O)C)Br)C Amb17610040 [0,1,0,0,1,0|0,0,2]=4 92 B16R1.24540 CC(C(c1ccc(cc1)C(C(=O)O)C)O)C Amb17615419 [0,1,0,0,1,0|0,0,2]=4 93 B18R1.176926 CC(C)CC(=O)Nc1ccc(cc1)C(C)C(O)=O Amb25634287 [0,1,0,0,0,1|0,0,2]=4 94 B16R2.6284 CC(C(O)=O)c1cc2cc[n]cc2cc1 Amb25366096 [1,0,0,1,0,0|2,0,0]=4 95 B16R2.6284 CC(C(O)=O)c1cc2ccccc2cc1 Amb18961423 [1,0,0,1,0,0|1,0,1]=4 96 B16R2.6284 OC(=O)C(c1ccc2c(c1)CCCC2)C Amb17087423 [1,0,0,1,0,0|1,0,1]=4 97 B16R2.6284 OC(=O)C(c1ccc2c(c1)cccn2)C Amb16232211 [1,0,0,1,0,0|0,0,2]=4 98 B16R2.3891 CC(C(O)=O)c1cc2CC(=O)Nc2cc1 Amb18567198 [0,0,0,1,1,0|1,0,0]=3 99 B16R2.3891 CC(C(O)=O)c1cc2NC(=O)Nc2cc1 Amb18895462 [0,0,0,1,1,0|2,0,0]=4 100 B16R2.3891 CC(C(O)=O)c1cc2OC(=O)Nc2cc1 Amb18895707 [0,0,0,1,1,0|2,0,0]=4 101 B16R2.3891 Cc1[nH]c2ccc(cc2[n]1)C(C)C(O)=O Amb18895127 [0,0,0,1,1,0|1,0,0]=3 102 B16R2.3891 Cc1[n]c2cc(ccc2o1)C(C)C(O)=O Amb18895308 [0,0,0,1,1,0|2,0,0]=4 103 B16R2.3891 Cc1[n]c2ccc(cc2o1)C(C)C(O)=O Amb18895311 [0,0,0,1,1,0|1,0,1]=4 104 B16R2.3891 NC(C(O)=O)c1cc2CC(=O)Nc2cc1 Amb18865338 [0,0,0,1,1,0|2,0,0]=4 105 B16R2.3891 OC(=O)C(Cl)c1cc2CC(=O)Nc2cc1 Amb18571329 [0,0,0,1,1,0|2,0,0]=4 106 B16R2.3891 OC(=O)C(O)c1cc2CC(=O)Nc2cc1 Amb18865546 [0,0,0,1,1,0|2,0,0]=4 107 B16R2.3946 CC(=O)Cc1cc2OC(=O)N(C)c2cc1 Amb18895305 [0,0,0,1,1,0|2,0,0]=4 108 B16R2.3946 CC(=O)Nc1cc2OC(=O)N(C)c2cc1 Amb18380601 [0,0,0,1,1,0|2,0,0]=4 109 B18R2.528789 CC1=CC(=O)Oc2cc(ccc12)OCC(C)=C Amb18374886 [0,0,0,1,0,1|1,0,1]=4 110 B18R2.17885 COc1cc2cc(ccc2cc1)C(C)C(O)=O Amb18660670 [0,1,0,1,0,0|1,0,1]=4 111 B18R2.31377 CN1c2cc(ccc2OCC1=O)C(C)C(O)=O Amb18899160 [0,1,0,1,0,0|2,0,0]=4 112 B14R1.805 CC(=O)Nc1ccc(CC(C)=O)cc1 Amb24103773 [1,0,0,0,1,0|2,0,0]=4 113 B14R1.805 CC(=O)Oc1ccc(CC(O)=O)cc1 Amb18651716 [1,0,0,0,1,0|2,0,0]=4 114 B14R1.805 CC(Nc1ccc(cc1)CC(=O)O)C Amb17305893 [1,0,0,0,1,0|0,0,2]=4 115 B14R1.805 CN(C)Cc1ccc(CC(O)=O)cc1 Amb18816211 [1,0,0,0,1,0|1,0,1]=4 116 B14R1.805 CS(=O)Nc1ccc(CC(O)=O)cc1 Amb24699250 [1,0,0,0,1,0|2,0,0]=4 117 B14R1.805 OC(=O)Cc1ccc(cc1)NC(=O)C Amb1215274 [1,0,0,0,1,0|1,0,0]=3 118 B14R1.805 OC(=O)Cc1ccc(cc1)NC(=S)N Amb17116001 [1,0,0,0,1,0|2,0,0]=4 119 B14R1.717 CC(=O)Oc1ccc(cc1)C(C)C=O Amb24094236 [1,0,0,0,1,0|2,0,0]=4 120 B14R1.717 CC(C)=Cc1ccc(cc1)C(C)C=O Amb24690689 [1,0,0,0,1,0|0,0,2]=4 121 B14R1.717 O=CC(c1ccc(cc1)CC(C)C)C Amb17194615 [1,0,0,0,1,0|0,0,2]=4 122 B14R1.6402 CC(=O)c1ccc(cc1)C(C)C(O)=O Amb18651106 [0,0,0,0,2,0|1,0,0]=3 123 B14R1.6402 CC(C(O)=O)c1ccc(cc1)C(N)=O Amb22728338 [0,0,0,0,2,0|2,0,0]=4 124 B14R1.6402 CC(C(O)=O)c1ccc(cc1)N(C)C Amb18298123 [0,0,0,0,2,0|1,0,1]=4 125 B14R1.6402 CC(C)c1ccc(cc1)[C@H](C)C(O)=O Amb24649983 [0,0,0,0,2,0|0,0,2]=4 126 B14R1.6402 CC(c1ccc(cc1)C(C)C)C(=O)O Amb17087420 [0,0,0,0,2,0|0,0,2]=4 127 B14R1.6402 CC(c1ccc(cc1)C(C)O)C(O)=O Amb18651876 [0,0,0,0,2,0|1,0,1]=4 128 B14R1.6402 CC(c1ccc(cc1)C(O)=O)C(O)=O Amb22723391 [0,0,0,0,2,0|2,0,0]=4 129 B16R1.69 C=CCOc1ccc(cc1)\C=C(\C(=O)O)/C Amb16206722 [1,0,0,0,0,1|1,0,1]=4 130 B16R1.69 COCCc1ccc(cc1)OC(C(=O)O)C Amb1116237 [1,0,0,0,0,1|2,0,0]=4 131 B16R1.603 CC(=O)CCc1ccc(cc1)OCC(=O)O Amb1118038 [1,0,0,0,0,1|2,0,0]=4 132 B16R1.603 OC(=O)CNc1ccc(cc1)NCC(=O)O Amb17619306 [1,0,0,0,0,1|2,0,0]=4 133 B16R1.1287 CC(CCNc1ccc(cc1)CC(=O)O)C Amb17305897 [1,0,0,0,0,1|0,0,2]=4 134 B16R1.1287 CN(CCNc1ccc(cc1)CC(=O)O)C Amb17305914 [1,0,0,0,0,1|1,0,1]=4 135 B16R1.1287 OC(=O)CCNc1ccc(cc1)CC(=O)O Amb17305900 [1,0,0,0,0,1|2,0,0]=4 136 B16R1.1287 OC(=O)Cc1ccc(cc1)OC\C=C(\Cl)/C Amb16206708 [1,0,0,0,0,1|2,0,0]=4