0 B16R1.608 CC(C)CCNC(=N)NCc1ccccc1 Amb20631903 [0,0,0,0,0,0|3,0,1]=4 1 B16R1.608 CC(C)CCNC(=N)NCc1ccccc1 Amb25250551 [0,0,0,0,0,0|3,0,1]=4 2 B16R1.608 CC(C)CCNC(=O)C=Cc1ccc[n]c1 Amb20902240 [0,0,0,0,0,0|2,0,0]=2 3 B16R1.608 CC(C)CCNC(=O)CCc1ccc[n]c1 Amb20744768 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.608 CC(C)CCNC(=O)\C=C\c1cc[n]cc1 Amb20923379 [0,0,0,0,0,0|2,0,0]=2 5 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 Amb24732237 [0,0,0,0,0,0|3,0,1]=4 6 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 Amb25308502 [0,0,0,0,0,0|3,0,1]=4 7 B16R1.608 CC(C)NCCC(=O)OCc1ccccc1 Amb24399475 [0,0,0,0,0,0|3,0,1]=4 8 B16R1.608 CC(CCNC(=O)CCc1ccccn1)C Amb16919563 [0,0,0,0,0,0|2,0,2]=4 9 B16R1.608 CC(CCNC(=O)CNc1ccccc1)C Amb17141362 [0,0,0,0,0,0|2,0,1]=3 10 B16R1.608 CC(CCNC(=O)COc1ccccc1)C Amb1810485 [0,0,0,0,0,0|2,0,1]=3 11 B16R1.608 CC(CCNC(=O)NCc1ccccc1)C Amb16800199 [0,0,0,0,0,0|2,0,1]=3 12 B16R1.608 CC(CCNC(=O)NCc1ccccn1)C Amb11256545 [0,0,0,0,0,0|3,0,1]=4 13 B16R1.608 CC(CCNC(=O)NCc1cccnc1)C Amb11256546 [0,0,0,0,0,0|3,0,1]=4 14 B16R1.608 CC(CCNC(=O)NCc1ccncc1)C Amb16800211 [0,0,0,0,0,0|3,0,1]=4 15 B16R1.608 CC(N)CCNC(=O)OCc1ccccc1 Amb22754262 [0,0,0,0,0,0|3,0,1]=4 16 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 Amb25708920 [0,0,0,0,0,0|3,0,1]=4 17 B16R1.608 CC(O)CCNC(=O)OCc1ccccc1 Amb25287766 [0,0,0,0,0,0|3,0,1]=4 18 B16R1.608 CC(OCNC(=O)OCc1ccccc1)C Amb10066980 [0,0,0,0,0,0|3,0,1]=4 19 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 Amb25226008 [0,0,0,0,0,0|3,0,1]=4 20 B16R1.608 CN(CCNC(=O)CSc1ccccc1)C Amb1210305 [0,0,0,0,0,0|3,0,1]=4 21 B16R1.608 CN(CCNC(=O)NCc1ccccc1)C Amb16864521 [0,0,0,0,0,0|3,0,1]=4 22 B16R1.608 CN(CCOC(=O)CCc1ccccc1)C Amb10824127 [0,0,0,0,0,0|1,0,2]=3 23 B16R1.608 CN(CCOC(=O)\C=C\c1ccccc1)C Amb1869500 [0,0,0,0,0,0|1,0,0]=1 24 B16R1.608 C[C@@H](N)CCNC(=O)OCc1ccccc1 Amb22831778 [0,0,0,0,0,0|3,0,1]=4 25 B16R1.608 O=C(\C=C\c1ccccc1)NCCC(=O)O Amb1211750 [0,0,0,0,0,0|3,0,1]=4 26 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [1,0,0,0,0,0|1,0,2]=4 27 B15R1.78 CC=CCOC(=O)C=Cc1ccccc1 Amb21195575 [1,0,0,0,0,0|0,0,2]=3 28 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [1,0,0,0,0,0|2,0,1]=4 29 B15R1.78 CCCCNC(=O)C=Cc1ccc[n]c1 Amb20911325 [1,0,0,0,0,0|2,0,0]=3 30 B15R1.78 CCCCNC(=O)CNc1ccccc1 Amb17140118 [1,0,0,0,0,0|2,0,1]=4 31 B15R1.78 CCCCNC(=O)CSc1ccccc1 Amb1229680 [1,0,0,0,0,0|2,0,1]=4 32 B15R1.78 CCCCNC(=O)NCc1ccccc1 Amb2236966 [1,0,0,0,0,0|2,0,1]=4 33 B15R1.78 CCCCOC(=O)COc1ccccc1 Amb22269146 [1,0,0,0,0,0|1,0,1]=3 34 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [1,0,0,0,0,0|1,0,1]=3 35 B15R1.78 O=C(NCc1ccccc1)OCCCCl Amb24758392 [1,0,0,0,0,0|2,0,1]=4 36 B17R1.675 CC(CCNC(=O)\C=C(\c1ccccc1)/C)C Amb16797109 [0,1,0,0,0,0|1,0,0]=2 37 B17R1.675 CC(CCNC(=S)NC(=O)c1ccccc1)C Amb1789652 [0,1,0,0,0,0|2,1,0]=4 38 B17R1.675 CC(c1ccccc1)NC(=O)NCCC(C)C Amb16800203 [0,1,0,0,0,0|2,0,1]=4 39 B17R1.675 CN(CCNC(=O)\C=C(\c1ccccc1)/C)C Amb16797065 [0,1,0,0,0,0|2,0,0]=3 40 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(F)cc1 Amb17699948 [0,1,0,0,0,0|1,0,0]=2 41 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(Cl)cc1 Amb21187180 [0,1,0,0,0,0|1,0,2]=4 42 B17R1.1079 CC(C)CCNC(=O)COc1ccc(Cl)cc1 Amb17775327 [0,1,0,0,0,0|2,0,1]=4 43 B17R1.1079 CC(CCNC(=O)CCc1ccc(cc1)C)C Amb10694127 [0,1,0,0,0,0|1,0,2]=4 44 B17R1.1079 CC(CCNC(=O)CCc1ccc(cc1)F)C Amb16960195 [0,1,0,0,0,0|1,0,2]=4 45 B17R1.1079 CC(CCNC(=O)CNc1ccc(cc1)C)C Amb17157832 [0,1,0,0,0,0|2,0,1]=4 46 B17R1.1079 CC(CCNC(=O)CNc1ccc(cc1)Cl)C Amb17162030 [0,1,0,0,0,0|2,0,1]=4 47 B17R1.1079 CC(CCNC(=O)CNc1ccc(cc1)F)C Amb17158631 [0,1,0,0,0,0|2,0,1]=4 48 B17R1.1079 CC(CCNC(=O)NCc1ccc(cc1)C)C Amb16800202 [0,1,0,0,0,0|2,0,1]=4 49 B17R1.1079 CC(CCNC(=O)NCc1ccc(cc1)Cl)C Amb16800208 [0,1,0,0,0,0|2,0,1]=4 50 B17R1.1079 CC(CCNC(=O)NCc1ccc(cc1)F)C Amb16800206 [0,1,0,0,0,0|2,0,1]=4 51 B17R1.1079 CC(N)CCNC(=O)C=Cc1ccc(Cl)cc1 Amb23966038 [0,1,0,0,0,0|2,0,0]=3 52 B17R1.1079 CC(N)CCNC(=O)C=Cc1ccc(F)cc1 Amb23966034 [0,1,0,0,0,0|2,0,0]=3 53 B17R1.1079 CN(C)CCOC(=O)COc1ccc(F)cc1 Amb21874174 [0,1,0,0,0,0|2,0,1]=4 54 B17R1.1079 CN(CCOC(=O)COc1ccc(cc1)Cl)C Amb1869512 [0,1,0,0,0,0|2,0,1]=4 55 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C Amb19670074 [0,1,0,0,0,0|2,0,1]=4 56 B17R1.1218 CNC(C)CCNC(=O)NCc1ccccc1 Amb24590306 [0,1,0,0,0,0|2,0,1]=4 57 B17R1.1218 COC(=O)CCNC(=O)\C=C\c1ccccc1 Amb23504766 [0,1,0,0,0,0|2,0,1]=4 58 B17R1.1218 CSC(C)CCNC(=O)NCc1ccccc1 Amb25090508 [0,1,0,0,0,0|2,0,1]=4 59 B17R1.1218 CSC(C)CCNC(=O)OCc1ccccc1 Amb25173383 [0,1,0,0,0,0|2,0,1]=4 60 B17R1.5010 CN(CCC(C)C)C(=O)OCc1ccccc1 Amb24413322 [0,1,0,0,0,0|2,0,1]=4 61 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1O Amb21219788 [0,1,0,0,0,0|1,0,2]=4 62 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl Amb20676431 [0,1,0,0,0,0|2,0,1]=4 63 B17R1.9015 CC(CCNC(=O)CCc1ccccc1F)C Amb16960196 [0,1,0,0,0,0|1,0,2]=4 64 B17R1.9015 CC(CCNC(=O)CNc1ccccc1C)C Amb17157826 [0,1,0,0,0,0|2,0,1]=4 65 B17R1.9015 CC(CCNC(=O)CNc1ccccc1Cl)C Amb17162024 [0,1,0,0,0,0|2,0,1]=4 66 B17R1.9015 CC(CCNC(=O)CNc1ccccc1F)C Amb17158625 [0,1,0,0,0,0|2,0,1]=4 67 B17R1.9015 CC(CCNC(=O)COc1ccccc1Br)C Amb17295697 [0,1,0,0,0,0|2,0,1]=4 68 B17R1.9015 CC(CCNC(=O)NCc1ccccc1C)C Amb16800200 [0,1,0,0,0,0|2,0,1]=4 69 B17R1.9015 CC(CCNC(=O)NCc1ccccc1Cl)C Amb16800207 [0,1,0,0,0,0|2,0,1]=4 70 B17R1.9015 CC(CCNC(=O)NCc1ccccc1F)C Amb16800205 [0,1,0,0,0,0|2,0,1]=4 71 B17R1.9015 Cc1ccccc1SCC(=O)NCCC(C)C Amb21128667 [0,1,0,0,0,0|2,0,1]=4 72 B17R1.9289 CC(C(=O)NCCC(C)C)Sc1ccccc1 Amb1550795 [0,1,0,0,0,0|2,0,1]=4 73 B17R1.9289 CC(CCNC(=O)C(=O)Cc1ccccc1)C Amb17408291 [0,1,0,0,0,0|1,0,1]=3 74 B17R1.9289 CC(CCNC(=O)N(Cc1ccccc1)C)C Amb16800204 [0,1,0,0,0,0|2,0,1]=4 75 B17R1.9289 CC(CCNC(=O)\C(=C\c1ccccc1)\C)C Amb1853631 [0,1,0,0,0,0|1,0,0]=2 76 B17R1.9289 CN(CCNC(=O)C(=O)Cc1ccccc1)C Amb17408617 [0,1,0,0,0,0|2,0,1]=4 77 B17R1.9289 CN(CCNC(=O)\C(=C\c1ccccc1)\C)C Amb16799066 [0,1,0,0,0,0|2,0,0]=3 78 B17R1.14359 CC(C)CCNC(=O)COc1cccc(Cl)c1 Amb22275526 [0,1,0,0,0,0|2,0,1]=4 79 B17R1.14359 CC(C)CCNC(=O)COc1cccc(F)c1 Amb22266120 [0,1,0,0,0,0|2,0,1]=4 80 B17R1.14359 CC(CCNC(=O)CCc1cccc(c1)Cl)C Amb16960194 [0,1,0,0,0,0|1,0,2]=4 81 B17R1.14359 CC(CCNC(=O)CCc1cccc(c1)F)C Amb16960308 [0,1,0,0,0,0|1,0,2]=4 82 B17R1.14359 CC(CCNC(=O)CNc1cccc(c1)C)C Amb17157829 [0,1,0,0,0,0|2,0,1]=4 83 B17R1.14359 CC(CCNC(=O)CNc1cccc(c1)Cl)C Amb17162027 [0,1,0,0,0,0|2,0,1]=4 84 B17R1.14359 CC(CCNC(=O)CNc1cccc(c1)F)C Amb17158628 [0,1,0,0,0,0|2,0,1]=4 85 B17R1.14359 CC(CCNC(=O)COc1cccc(c1)Br)C Amb17295694 [0,1,0,0,0,0|2,0,1]=4 86 B17R1.14359 CC(CCNC(=O)NCc1cccc(c1)C)C Amb16800201 [0,1,0,0,0,0|2,0,1]=4 87 B17R1.14359 CC(CCNC(=O)NCc1cccc(c1)Cl)C Amb16802459 [0,1,0,0,0,0|2,0,1]=4 88 B17R1.14359 CN(CCNC(=O)\C=C\c1cccc(c1)F)C Amb16207793 [0,1,0,0,0,0|2,0,0]=3 89 B17R1.14359 Cc1cc(CCC(=O)NCCC(C)C)ccc1 Amb21187179 [0,1,0,0,0,0|1,0,2]=4 90 B17R1.16221 CC(CCNS(=O)(=O)\C=C\c1ccccc1)C Amb19595 [0,1,0,0,0,0|2,0,0]=3 91 B17R1.16633 CC(C)C(C)CNC(=O)OCc1ccccc1 Amb24721967 [0,1,0,0,0,0|2,0,1]=4 92 B17R1.16633 CC(C)C(N)CNC(=O)NCc1ccccc1 Amb24690939 [0,1,0,0,0,0|2,0,1]=4 93 B17R1.16633 CC(C)C(O)CNC(=O)OCc1ccccc1 Amb25065000 [0,1,0,0,0,0|2,0,1]=4 94 B17R1.16633 CC(O)C(N)CNC(=O)C=Cc1ccccc1 Amb23988214 [0,1,0,0,0,0|2,0,0]=3 95 B17R1.40529 CC(C)(C)CCNC(=O)CNc1ccccc1 Amb25408375 [0,1,0,0,0,0|2,0,1]=4 96 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 Amb25281262 [0,1,0,0,0,0|2,0,1]=4 97 B17R1.40529 CC(C)(N)CCNC(=O)OCc1ccccc1 Amb19516362 [0,1,0,0,0,0|2,0,1]=4 98 B17R1.40529 CC(C)(N)CCNC(=O)OCc1ccccc1 Amb22406395 [0,1,0,0,0,0|2,0,1]=4 99 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 Amb24707214 [0,1,0,0,0,0|2,0,1]=4 100 B17R2.3231 CC1CN(CC1)C(=O)CNc2ccccc2 Amb25392325 [0,0,0,1,0,0|2,0,1]=4 101 B17R2.3231 CC1CN(CC1)C(=O)NCc2ccccc2 Amb24440566 [0,0,0,1,0,0|2,0,1]=4 102 B17R2.3231 C[C@H]1CN(CC1)C(=O)OCc2ccccc2 Amb25204589 [0,0,0,1,0,0|2,0,1]=4 103 B17R2.3231 OC1CN(CC1)C(=O)\C=C\c2ccccc2 Amb22172941 [0,0,0,1,0,0|2,0,0]=3 104 B17R2.3919 CC1CC1CNC(=O)CNc2ccccc2 Amb24780500 [0,0,0,1,0,0|2,0,1]=4 105 B17R2.3919 CC1CC1CNC(=O)NCc2ccccc2 Amb11365142 [0,0,0,1,0,0|2,0,1]=4 106 B17R2.5233 CC1CC(C1)NC(=O)CNc2ccccc2 Amb24780571 [0,0,0,1,0,0|2,0,1]=4 107 B17R2.5233 CC1CC(C1)NC(=O)NCc2ccccc2 Amb24373767 [0,0,0,1,0,0|2,0,1]=4 108 B17R2.5233 CC1CC(C1)NC(=O)OCc2ccccc2 Amb25186843 [0,0,0,1,0,0|2,0,1]=4 109 B17R2.5233 NC1CC(C1)OC(=O)NCc2ccccc2 Amb25168529 [0,0,0,1,0,0|2,0,1]=4 110 B17R2.5385 CC(C)NCc1c(O)ccc2ccccc21 Amb20673458 [0,0,0,1,0,0|2,0,1]=4 111 B17R2.5385 CC(CCN1C(=O)CNc2c1cccc2)C Amb17468877 [0,0,0,1,0,0|2,0,1]=4 112 B17R2.5669 CN(C)CCSc1cc2ccccc2cc1 Amb21977815 [0,0,0,1,0,0|2,1,0]=4 113 B17R2.5669 CN(N)CCOc1cc2ccccc2cc1 Amb18067193 [0,0,0,1,0,0|3,0,0]=4 114 B17R2.45566 O=C(NCCC1CC1)OCc2ccccc2 Amb24677258 [0,0,0,1,0,0|2,0,1]=4 115 B15R1.503 CC(C)CCOC(=O)CCc1ccco1 Amb19884047 [0,0,0,0,1,0|1,0,2]=4 116 B15R1.503 CN(CCNC(=O)\C=C\c1cccs1)C Amb16207598 [0,0,0,0,1,0|3,0,0]=4 117 B15R1.503 CN(CCOC(=O)\C=C\c1ccco1)C Amb1869504 [0,0,0,0,1,0|2,0,0]=3 118 B15R1.1081 CC(CCNC(=O)Nc1cccnc1)C Amb11256371 [0,0,0,0,1,0|3,0,0]=4 119 B15R1.1081 CC(CCNC(=O)Nc1ccncc1)C Amb11386294 [0,0,0,0,1,0|3,0,0]=4 120 B15R1.1081 CC(CCNC(=S)Nc1ccccc1)C Amb1625232 [0,0,0,0,1,0|2,1,0]=4 121 B15R1.1081 CC(CCSC(=O)Nc1ccccc1)C Amb10809849 [0,0,0,0,1,0|1,1,0]=3 122 B15R1.1081 CN(C)CCCC(=O)Cc1ccccc1 Amb22045151 [0,0,0,0,1,0|2,0,1]=4 123 B15R1.1081 CN(C)CCNC(=O)Oc1ccccc1 Amb22265754 [0,0,0,0,1,0|3,0,0]=4 124 B15R1.1081 CN(CCNC(=O)Nc1ccccc1)C Amb1207115 [0,0,0,0,1,0|3,0,0]=4 125 B15R1.1081 CN(CCOC(=O)Cc1ccccc1)C Amb1869505 [0,0,0,0,1,0|1,0,1]=3 126 B15R1.1081 C\C(\CNCC(C)C)=C/c1ccccc1 Amb20673696 [0,0,0,0,1,0|3,0,0]=4 127 B15R1.1081 C\C(\CNCC(C)C)=C/c1ccccc1 Amb20673697 [0,0,0,0,1,0|3,0,0]=4 128 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 Amb21683356 [0,0,0,0,1,0|1,0,1]=3 129 B15R1.5919 CC(C)CNC(=O)C=Cc1ccc[n]c1 Amb20911624 [0,0,0,0,1,0|2,0,0]=3 130 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 Amb25388154 [0,0,0,0,1,0|2,0,1]=4 131 B15R1.5919 CC(C)COC(=O)COc1ccccc1 Amb22732187 [0,0,0,0,1,0|1,0,1]=3 132 B15R1.5919 CC(C)OCC(=O)C#Cc1ccccc1 Amb24391067 [0,0,0,0,1,0|1,0,2]=4 133 B15R1.5919 CC(CCC(=O)C#Cc1ccccc1)C Amb10562234 [0,0,0,0,1,0|0,0,2]=3 134 B15R1.5919 CC(CCC(=O)CCc1ccccc1)C Amb10561852 [0,0,0,0,1,0|0,0,2]=3 135 B15R1.5919 CC(CCC(=O)NCc1ccccc1)O Amb17338796 [0,0,0,0,1,0|2,0,1]=4 136 B15R1.5919 CC(CNC(=O)NCc1ccccc1)C Amb16864321 [0,0,0,0,1,0|2,0,1]=4 137 B15R1.5919 CC(N)CCC(=O)C#Cc1ccccc1 Amb25772326 [0,0,0,0,1,0|1,0,2]=4 138 B15R1.5919 CC(N)CCC(=O)NCc1ccccc1 Amb25269991 [0,0,0,0,1,0|2,0,1]=4 139 B15R1.5919 CC(N)CCC(=O)OCc1ccccc1 Amb25671189 [0,0,0,0,1,0|2,0,1]=4 140 B15R1.5919 CC(OCC(=O)NCc1ccccc1)C Amb12264978 [0,0,0,0,1,0|2,0,1]=4 141 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 Amb24401553 [0,0,0,0,1,0|2,0,1]=4 142 B15R1.5919 CN(C)CCC(=O)\C=C\c1ccccc1 Amb22269286 [0,0,0,0,1,0|1,0,0]=2 143 B15R1.5919 CN(\C=C\C(=O)\C=C\c1ccccc1)C Amb2386553 [0,0,0,0,1,0|1,0,2]=4 144 B15R1.5919 CN(\C=N\C(=O)\C=C\c1ccccc1)C Amb2439281 [0,0,0,0,1,0|2,0,1]=4 145 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [0,0,0,0,1,0|2,0,1]=4 146 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [0,0,0,0,1,0|2,0,1]=4 147 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccc[n]c1 Amb21462681 [0,0,0,0,0,1|2,0,0]=3 148 B17R1.1324 CC(C)CCCNC(=O)COc1ccccc1 Amb21658671 [0,0,0,0,0,1|2,0,1]=4 149 B17R1.1324 CC(C)NCCCC(=O)NCc1ccccc1 Amb25810772 [0,0,0,0,0,1|2,0,1]=4 150 B17R1.1324 CC(C)NCCCC(=O)OCc1ccccc1 Amb25025551 [0,0,0,0,0,1|2,0,1]=4 151 B17R1.1324 CC(C)OCCNC(=O)CNc1ccccc1 Amb25407275 [0,0,0,0,0,1|2,0,1]=4 152 B17R1.1324 CC(C)SCCNC(=O)OCc1ccccc1 Amb24743096 [0,0,0,0,0,1|2,0,1]=4 153 B17R1.1324 CC(OCCNC(=O)NCc1ccccc1)C Amb16979678 [0,0,0,0,0,1|2,0,1]=4 154 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccc[n]c1 Amb20911430 [0,0,0,0,0,1|3,0,0]=4 155 B17R1.1324 CN(C)CCONC(=O)NCc1ccccc1 Amb25839170 [0,0,0,0,0,1|2,0,1]=4 156 B17R1.1324 CN(C)CCONC(=O)OCc1ccccc1 Amb24625515 [0,0,0,0,0,1|2,0,1]=4 157 B17R1.1324 CN(CCCOC(=O)CCc1ccccc1)C Amb10824096 [0,0,0,0,0,1|1,0,2]=4 158 B17R1.1324 CN(CCCOC(=O)COc1ccccc1)C Amb1869509 [0,0,0,0,0,1|2,0,1]=4 159 B17R1.1324 CN(CCCOC(=O)\C=C\c1ccccc1)C Amb1869501 [0,0,0,0,0,1|1,0,0]=2 160 B17R1.1324 O=C(OCc1ccccc1)NCCOC(C)C Amb16963759 [0,0,0,0,0,1|2,0,1]=4 161 B17R1.16611 CC(C)CCCC(=O)COCc1ccccc1 Amb24738885 [0,0,0,0,0,1|1,0,2]=4 162 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 Amb21128646 [0,0,0,0,0,1|1,0,2]=4 163 B17R1.16611 CC(C)CCNC(=O)CNCc1ccccc1 Amb25744763 [0,0,0,0,0,1|1,0,2]=4 164 B17R1.16611 CC(CCNC(=O)CCNc1ccccc1)C Amb15707792 [0,0,0,0,0,1|1,0,2]=4 165 B17R1.16611 CC(CCNC(=O)NCCc1ccccc1)C Amb16800212 [0,0,0,0,0,1|1,0,2]=4 166 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [2,0,0,0,0,0|1,0,1]=4 167 B14R1.156 CCCCC(=O)NNc1ccccc1 Amb22445767 [2,0,0,0,0,0|2,0,0]=4 168 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [2,0,0,0,0,0|1,0,1]=4 169 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [2,0,0,0,0,0|1,0,1]=4 170 B14R1.156 N#CCOC(=O)\C=C/c1ccccc1 Amb2422957 [2,0,0,0,0,0|1,0,1]=4 171 B16R1.35 CCCCCC(=O)NC(=S)c1ccccc1 Amb22476909 [1,1,0,0,0,0|2,0,0]=4 172 B16R1.35 CCCCNC(=O)\C=C(\c1ccccc1)/C Amb16797053 [1,1,0,0,0,0|1,0,0]=3 173 B16R1.35 COCCNC(=O)\C=C(\c1ccccc1)/C Amb16797061 [1,1,0,0,0,0|2,0,0]=4 174 B16R1.51 CCCCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17736612 [1,1,0,0,0,0|1,0,0]=3 175 B16R1.51 COCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495190 [1,1,0,0,0,0|2,0,0]=4 176 B16R1.51 COCCNC(=O)\C=C\c1ccc(cc1)C Amb2458966 [1,1,0,0,0,0|2,0,0]=4 177 B16R1.51 Cc1ccc(\C=C\C(=O)CCCCC)cc1 Amb22487148 [1,1,0,0,0,0|1,0,0]=3 178 B16R1.51 Cc1ccc(\C=C\C(=O)NCCCN)cc1 Amb18619963 [1,1,0,0,0,0|2,0,0]=4 179 B16R1.52 CCCCOC(=O)COc1cc(N)ccc1 Amb23003491 [1,1,0,0,0,0|1,0,1]=4 180 B16R1.52 CCCCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10554287 [1,1,0,0,0,0|1,0,0]=3 181 B16R1.52 CCCCOC(=O)\C=C\c1cccc(O)c1 Amb22433227 [1,1,0,0,0,0|0,0,0]=2 182 B16R1.52 COCCNC(=O)\C=C\c1cccc(c1)N Amb17141268 [1,1,0,0,0,0|2,0,0]=4 183 B16R1.52 CSCCNC(=O)\C=C\c1cccc(O)c1 Amb24232085 [1,1,0,0,0,0|2,0,0]=4 184 B16R1.52 Cc1cc(C=CC(=O)NCCOC)ccc1 Amb20692657 [1,1,0,0,0,0|2,0,0]=4 185 B16R1.688 CCCCCNC(=O)C=Cc1ccc[n]c1 Amb20902142 [1,1,0,0,0,0|2,0,0]=4 186 B16R1.688 CCCCCOC(=O)C=Cc1ccccc1 Amb15758314 [1,1,0,0,0,0|0,0,0]=2 187 B16R1.688 CCNCCOC(=O)NCc1ccccc1 Amb24760004 [1,1,0,0,0,0|1,0,1]=4 188 B16R1.688 COCCCNC(=O)C=Cc1ccc[n]c1 Amb20911383 [1,1,0,0,0,0|2,0,0]=4 189 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 Amb15702141 [1,1,0,0,0,0|1,0,0]=3 190 B16R1.688 COCCCNC(=O)\C=C\c1cc[n]cc1 Amb20923375 [1,1,0,0,0,0|2,0,0]=4 191 B16R1.688 NCCCCNC(=O)\C=C\c1ccccc1 Amb18619997 [1,1,0,0,0,0|1,0,0]=3 192 B16R1.688 NCCCCOC(=O)NCc1ccccc1 Amb24515925 [1,1,0,0,0,0|1,0,1]=4 193 B16R1.1216 CCCCNC(=O)C(=O)Cc1ccccc1 Amb17405255 [1,1,0,0,0,0|1,0,1]=4 194 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 Amb1807183 [1,1,0,0,0,0|2,0,0]=4 195 B16R1.1216 COCCNC(=O)\C(=C\c1ccccc1)\C Amb1864602 [1,1,0,0,0,0|2,0,0]=4 196 B16R1.1216 C\C(=C\c1ccccc1)\C(=O)NCCOC Amb22524345 [1,1,0,0,0,0|2,0,0]=4 197 B16R1.1696 COCCNC(=O)\C=C\c1ccccc1Br Amb10468601 [1,1,0,0,0,0|2,0,0]=4 198 B16R1.20527 CCCCNS(=O)(=O)\C=C\c1ccccc1 Amb17903 [1,1,0,0,0,0|2,0,0]=4 199 B16R1.6929 CC(C)CC(=O)OC\C=C\c1ccccc1 Amb22336750 [1,1,0,0,0,0|0,0,2]=4 200 B16R1.7612 CC(CCNC(=O)\C(=C\c1cccs1)\C)C Amb16799037 [0,1,0,0,1,0|2,0,0]=4 201 B16R1.613 CC(CCNC(=O)N(c1ccccc1)C)C Amb16800248 [0,1,0,0,1,0|2,0,0]=4 202 B16R1.1067 CC(CCNC(=O)Nc1ccc(cc1)C)C Amb11224075 [0,1,0,0,1,0|2,0,0]=4 203 B16R1.1067 CC(CCNC(=O)Nc1ccc(cc1)F)C Amb11224074 [0,1,0,0,1,0|2,0,0]=4 204 B16R1.4132 CC(C)C(N)CCC(=O)Nc1ccccc1 Amb23536731 [0,1,0,0,1,0|2,0,0]=4 205 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl Amb23014129 [0,1,0,0,1,0|1,0,1]=4 206 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F Amb21128670 [0,1,0,0,1,0|1,0,1]=4 207 B16R1.7414 CC(CCNC(=O)Cc1ccccc1C)C Amb10671851 [0,1,0,0,1,0|1,0,1]=4 208 B16R1.7414 CC(CCNC(=O)Nc1ccccc1Br)C Amb11339843 [0,1,0,0,1,0|2,0,0]=4 209 B16R1.7414 CC(CCNC(=O)Nc1ccccc1C)C Amb11340109 [0,1,0,0,1,0|2,0,0]=4 210 B16R1.7414 CC(CCNC(=O)Nc1ccccc1Cl)C Amb11224005 [0,1,0,0,1,0|2,0,0]=4 211 B16R1.7414 CC(CCNC(=O)Nc1ccccc1F)C Amb11224003 [0,1,0,0,1,0|2,0,0]=4 212 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(Br)c1 Amb23111186 [0,1,0,0,1,0|1,0,1]=4 213 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(Cl)c1 Amb23090626 [0,1,0,0,1,0|1,0,1]=4 214 B16R1.11236 CC(C)CCOC(=O)Nc1cccc(O)c1 Amb22474212 [0,1,0,0,1,0|1,0,0]=3 215 B16R1.11236 CC(CCNC(=O)Nc1cccc(c1)C)C Amb11224004 [0,1,0,0,1,0|2,0,0]=4 216 B16R1.11236 CC(CCNC(=O)Nc1cccc(c1)F)C Amb11340719 [0,1,0,0,1,0|2,0,0]=4 217 B16R1.59031 O=C(Nc1ccccc1)OCCC(O)(C)C Amb1818283 [0,1,0,0,1,0|1,0,0]=3 218 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F Amb21126539 [0,1,0,0,1,0|1,0,1]=4 219 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F Amb21129758 [0,1,0,0,1,0|1,0,0]=3 220 B16R1.400 CC(CNC(=O)\C=C\c1ccccc1Br)C Amb11218658 [0,1,0,0,1,0|1,0,0]=3 221 B16R1.400 CC(CNC(=O)\C=C\c1ccccc1Cl)C Amb1831964 [0,1,0,0,1,0|1,0,0]=3 222 B16R1.1061 CC(C)CCC(=O)NCc1ccc(Cl)cc1 Amb21620022 [0,1,0,0,1,0|1,0,1]=4 223 B16R1.1061 CC(CCC(=O)CCc1ccc(cc1)C)C Amb10561851 [0,1,0,0,1,0|0,0,2]=4 224 B16R1.1771 CC(CNS(=O)(=O)\C=C\c1ccccc1)C Amb15839566 [0,1,0,0,1,0|2,0,0]=4 225 B16R1.4122 CC(C)C(C)CC(=O)NCc1ccccc1 Amb24443767 [0,1,0,0,1,0|1,0,1]=4 226 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 Amb21429934 [0,1,0,0,1,0|1,0,0]=3 227 B16R1.4122 CC(C)C(C)NC(=O)\C=C\c1ccccc1 Amb23329042 [0,1,0,0,1,0|1,0,0]=3 228 B16R1.4122 CC(C)C(N)CC(=O)OCc1ccccc1 Amb24596314 [0,1,0,0,1,0|1,0,1]=4 229 B16R1.4122 CC(C)[C@H](N)CC(=O)NCc1ccccc1 Amb25236872 [0,1,0,0,1,0|1,0,1]=4 230 B16R1.4122 O=C(NC(C(C)C)C)\C=C\c1cccnc1 Amb10630560 [0,1,0,0,1,0|2,0,0]=4 231 B16R1.6944 BrC(C(=O)NCc1ccccc1)CC(C)C Amb10574769 [0,1,0,0,1,0|1,0,1]=4 232 B16R1.6944 CC(C)C[C@@H](N)C(=O)NCc1ccccc1 Amb18528149 [0,1,0,0,1,0|1,0,1]=4 233 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCc1ccccc1 Amb19295780 [0,1,0,0,1,0|1,0,1]=4 234 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCc1ccccc1 Amb22230599 [0,1,0,0,1,0|1,0,1]=4 235 B16R1.6944 CC(C)C[C@@H](O)C(=O)OCc1ccccc1 Amb24582133 [0,1,0,0,1,0|1,0,1]=4 236 B16R1.6944 CC(C)C[C@H](O)C(=O)OCc1ccccc1 Amb24584124 [0,1,0,0,1,0|1,0,1]=4 237 B16R1.6944 CN(CC(C)C)C(=O)C=Cc1ccc[n]c1 Amb20961385 [0,1,0,0,1,0|2,0,0]=4 238 B16R1.6944 CN(CC(C)C)C(=O)C=Cc1ccccc1 Amb20961201 [0,1,0,0,1,0|1,0,0]=3 239 B16R1.6944 NC(C(=O)OCc1ccccc1)CC(C)C Amb16761838 [0,1,0,0,1,0|1,0,1]=4 240 B16R1.6944 NC(C(=O)OCc1ccccc1)CC(C)C Amb2228430 [0,1,0,0,1,0|1,0,1]=4 241 B16R1.6944 N[C@H](C(=O)OCc1ccccc1)CC(C)C Amb2404816 [0,1,0,0,1,0|1,0,1]=4 242 B16R1.7611 CC(C)CCC(=O)NC(C)c1ccccc1 Amb20692824 [0,1,0,0,1,0|1,0,1]=4 243 B16R1.7611 CC(CNC(=O)\C=C(\c1ccccc1)/C)C Amb16797054 [0,1,0,0,1,0|1,0,0]=3 244 B16R1.11227 CC(C)CCC(=O)NCc1cccc(Br)c1 Amb21263872 [0,1,0,0,1,0|1,0,1]=4 245 B16R1.11227 CC(C)CCC(=O)NCc1cccc(F)c1 Amb21263046 [0,1,0,0,1,0|1,0,1]=4 246 B16R1.11227 CC(C)COC(=O)COc1cccc(N)c1 Amb23003492 [0,1,0,0,1,0|1,0,1]=4 247 B16R1.11227 CC(CNC(=O)\C=C\c1cccc(c1)Br)C Amb11218663 [0,1,0,0,1,0|1,0,0]=3 248 B16R1.11227 CC(CNC(=O)\C=C\c1cccc(c1)N)C Amb17141100 [0,1,0,0,1,0|1,0,0]=3 249 B16R1.11227 Cc1cc(C=CC(=O)NCC(C)C)ccc1 Amb21129765 [0,1,0,0,1,0|1,0,0]=3 250 B16R1.11227 Cc1cc(CNC(=O)CCC(C)C)ccc1 Amb21807919 [0,1,0,0,1,0|1,0,1]=4 251 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 Amb25840066 [0,1,0,0,1,0|1,0,1]=4 252 B16R1.22556 CC(C)(N)CCC(=O)NCc1ccccc1 Amb24753623 [0,1,0,0,1,0|1,0,1]=4 253 B16R1.22556 O=C(C=Cc1ccccc1)OCC(Br)(Br)Br Amb22471678 [0,1,0,0,1,0|2,0,0]=4 254 B18R1.979 CN(C)CCCNC(=O)/C=C/c1ccc(C)cc1 Amb17774907 [0,1,0,0,0,1|2,0,0]=4 255 B18R1.979 CN(C)CCCNC(=O)/C=C/c1ccc(F)cc1 Amb17793034 [0,1,0,0,0,1|2,0,0]=4 256 B18R1.979 Cc1ccc(C=CC(=O)NCCCC(C)C)cc1 Amb21462556 [0,1,0,0,0,1|1,0,0]=3 257 B18R1.1152 CN(CCCNC(=O)\C=C(\c1ccccc1)/C)C Amb16797067 [0,1,0,0,0,1|2,0,0]=4 258 B18R1.4484 CC(N(CCOC(=O)\C=C\c1ccccc1)C)C Amb10073044 [0,1,0,0,0,1|0,0,0]=2 259 B18R1.4484 CC(N(CCOC(=O)\C=C\c1ccccc1)C)C Amb1821868 [0,1,0,0,0,1|0,0,0]=2 260 B18R1.10219 CN(C)CCCNC(=O)C=Cc1ccccc1Br Amb20689077 [0,1,0,0,0,1|2,0,0]=4 261 B18R1.17709 CN(C)CCCNC(=O)C=Cc1cccc(F)c1 Amb21128803 [0,1,0,0,0,1|2,0,0]=4 262 B18R1.20704 C\C(=C\c1ccccc1)\C(=O)NCCCN(C)C Amb22524344 [0,1,0,0,0,1|2,0,0]=4 263 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1c[n]ccc1 Amb20902369 [0,1,0,0,0,1|2,0,0]=4 264 B18R1.37165 CC(C)NC(=O)CNC(=O)\C=C\c1ccccc1 Amb22119817 [0,1,0,0,0,1|1,0,1]=4 265 B18R1.37165 CC(C)NC(=O)COC(=O)\C=C\c1ccccc1 Amb19955916 [0,1,0,0,0,1|0,0,1]=3 266 B18R1.10622 CC(CCNC(=O)NNC(=O)c1ccccc1)C Amb14001535 [0,1,0,0,0,1|2,0,0]=4 267 B18R1.26634 CC\C(=C/C(=O)NCCN(C)C)\c1ccccc1 Amb16797223 [0,2,0,0,0,0|2,0,0]=4 268 B18R1.978 CC(C)(C)CCOC(=O)COc1ccc(N)cc1 Amb23929330 [0,2,0,0,0,0|1,0,1]=4 269 B18R1.9307 CC(CCNC(=O)C(=O)Nc1ccc(cc1)C)C Amb1775599 [0,2,0,0,0,0|2,0,0]=4 270 B18R1.9307 CN(CCNC(=O)\C(=C\c1ccc(cc1)Cl)\C)C Amb16799174 [0,2,0,0,0,0|2,0,0]=4 271 B18R1.9309 CN(C(=O)COC(=O)\C=C\c1ccc(cc1)Cl)C Amb2268196 [0,2,0,0,0,0|1,0,1]=4 272 B18R1.32381 CC(CCNS(=O)(=O)C=Cc1ccc(cc1)C)C Amb11284662 [0,2,0,0,0,0|2,0,0]=4 273 B18R1.623 CCN(CCOC(=O)\C=C\c1ccccc1)CC Amb1817261 [0,2,0,0,0,0|1,0,0]=3 274 B18R1.7318 COc1ccccc1\C=C\C(=O)OCCN(C)C Amb21877186 [0,2,0,0,0,0|1,0,0]=3 275 B18R1.10218 CC(C)(C)CCOC(=O)COc1ccccc1N Amb23929331 [0,2,0,0,0,0|1,0,1]=4 276 B18R1.13972 CC(CCNC(=O)C(=O)Nc1ccccc1Cl)C Amb1771274 [0,2,0,0,0,0|2,0,0]=4 277 B18R1.13972 CC(CCNC(=O)C(=O)Nc1ccccc1F)C Amb1010442 [0,2,0,0,0,0|2,0,0]=4 278 B18R1.13972 CC(CCNC(=O)\C(=C\c1ccccc1F)\C)C Amb16799147 [0,2,0,0,0,0|1,0,0]=3 279 B18R1.13972 CN(CCNC(=O)\C(=C\c1ccccc1F)\C)C Amb16799109 [0,2,0,0,0,0|2,0,0]=4 280 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(Br)ccc1F Amb20688673 [0,2,0,0,0,0|1,0,0]=3 281 B18R1.26486 CC\C(=C/c1ccccc1)\C(=O)NCCN(C)C Amb16799213 [0,2,0,0,0,0|2,0,0]=4 282 B18R1.9968 O=C(\C=C\c1cccc(c1)Cl)OCC(=O)N(C)C Amb2268199 [0,2,0,0,0,0|1,0,1]=4 283 B18R1.17708 CC(C)(C)CCOC(=O)COc1cc(N)ccc1 Amb23929334 [0,2,0,0,0,0|1,0,1]=4 284 B18R1.39571 COc1cccc(c1)\C=C\C(=O)NCCN(C)C Amb16767539 [0,2,0,0,0,0|2,0,0]=4 285 B18R1.175302 CC(O)(CNC(=O)\C=C\c1ccc[n]c1)C(C)C Amb24272716 [0,2,0,0,0,0|2,0,0]=4 286 B18R1.175302 CC(O)(CNC(=O)\C=C\c1ccccc1)C(C)C Amb24272717 [0,2,0,0,0,0|1,0,0]=3 287 B18R1.175302 CN(C(CNC(=O)\C=C\c1ccccc1)(C)C)C Amb10612490 [0,2,0,0,0,0|2,0,0]=4 288 B16R1.12527 CC(CCOC(=O)N\C=C\c1ccco1)C Amb2418555 [0,0,1,1,0,0|2,0,0]=4 289 B16R1.7492 CC(CCOC(=O)c1cc(Br)ccc1O)C Amb16232946 [0,0,1,1,0,0|2,0,0]=4 290 B16R1.7492 CC(CCOC(=O)c1cc(I)ccc1O)C Amb16232947 [0,0,1,1,0,0|2,0,0]=4 291 B16R1.7492 CC(CCOC(=O)c1cc(N)ccc1Cl)C Amb17307883 [0,0,1,1,0,0|2,0,0]=4 292 B16R2.2238 O=C(C=Cc1ccc[n]c1)N2CCCC2 Amb20911088 [1,0,0,1,0,0|2,0,0]=4 293 B16R2.2441 BrCCCOc1ccc2c(c1)cccc2 Amb2231590 [1,0,0,1,0,0|2,0,0]=4 294 B16R2.2441 CCCCOc1cc2ccc[n]c2cc1 Amb19108435 [1,0,0,1,0,0|2,0,0]=4 295 B16R2.2441 NCCCOc1ccc2c(c1)cccc2 Amb1135799 [1,0,0,1,0,0|2,0,0]=4 296 B16R2.2441 SCCCOc1ccc2c(c1)cccc2 Amb17243345 [1,0,0,1,0,0|2,0,0]=4 297 B16R2.30013 NCCCN1C(=O)C=Cc2ccccc12 Amb18563359 [1,0,0,1,0,0|2,0,0]=4 298 B16R2.30013 O=C1C=Cc2ccccc2N1CCCBr Amb24587078 [1,0,0,1,0,0|2,0,0]=4 299 B16R2.44148 O=C(NCc1ccccc1)OC2CCC2 Amb25335799 [1,0,0,1,0,0|1,0,1]=4 300 B16R2.44153 O=C(\C=C\c1ccccc1)NCC2CO2 Amb23557382 [1,0,0,1,0,0|2,0,0]=4 301 B16R2.44153 O=C(\C=C\c1cccnc1)NCC2CC2 Amb10708671 [1,0,0,1,0,0|2,0,0]=4 302 B16R2.179941 CC(Br)CCc1cccc2ccccc12 Amb25769583 [1,0,0,1,0,0|2,0,0]=4 303 B16R2.179941 CC(C)CC[n+]1cccc2ccccc12 Amb22732230 [1,0,0,1,0,0|1,0,0]=3 304 B16R2.179941 CC(Cl)CCc1cccc2ccccc12 Amb24660565 [1,0,0,1,0,0|2,0,0]=4 305 B16R2.179941 CC(NCc1cccc2c1cccc2)C Amb2118453 [1,0,0,1,0,0|2,0,0]=4 306 B16R2.27160 CC(C)CCOc1ccc2[nH]ccc2[n]1 Amb22481848 [0,0,0,1,1,0|2,0,0]=4 307 B16R2.2843 CC1CC(CC1)C(=O)Cc2ccccc2 Amb25859218 [0,0,0,1,1,0|1,0,1]=4 308 B16R2.4003 CC(C)CCN1C(=O)Nc2ccccc12 Amb18034261 [0,0,0,1,1,0|2,0,0]=4 309 B16R2.4003 CC(C)CCN1C(=O)Oc2ccccc12 Amb19806278 [0,0,0,1,1,0|2,0,0]=4 310 B16R2.4003 CC(CCn1c(=O)oc2c1cccc2)C Amb1420621 [0,0,0,1,1,0|2,0,0]=4 311 B16R2.317 CC1CC(Cc2ccccc2)C(=O)CC1 Amb24415227 [0,0,0,1,1,0|0,0,2]=4 312 B16R2.317 CC1C\C(=C/c2ccccc2)\C(=O)CC1 Amb21994095 [0,0,0,1,1,0|0,0,0]=2 313 B16R2.317 CN1C\C(=C/c2ccccc2)\C(=O)CC1 Amb23455774 [0,0,0,1,1,0|1,0,0]=3 314 B16R2.477 CC(Br)CCc1cc2ccccc2cc1 Amb24625117 [0,0,0,1,1,0|2,0,0]=4 315 B16R2.477 CC(C)COc1cc2ccccc2cc1 Amb22002684 [0,0,0,1,1,0|1,0,0]=3 316 B16R2.477 CC(Cl)CCc1ccc2ccccc2[n]1 Amb24575676 [0,0,0,1,1,0|2,0,0]=4 317 B16R2.477 CC(Cl)COc1cc2ccccc2cc1 Amb22339955 [0,0,0,1,1,0|2,0,0]=4 318 B16R2.477 CC(O)COc1cc2ccccc2cc1 Amb22339930 [0,0,0,1,1,0|2,0,0]=4 319 B16R2.477 CN(C)CCc1cc2ccccc2cc1 Amb22477286 [0,0,0,1,1,0|2,0,0]=4 320 B16R2.477 C[C@@H](N)COc1cc2ccccc2cc1 Amb18538578 [0,0,0,1,1,0|2,0,0]=4 321 B16R2.12599 CC1(C)COC(=N1)\C=C\c2ccccc2 Amb10573093 [0,0,0,1,1,0|1,0,0]=3 322 B18R2.6463 CC1CN(CCC1)C(=O)C=Cc2ccc[n]c2 Amb20911236 [0,0,0,1,0,1|2,0,0]=4 323 B18R2.6463 CC1CN(CCN1)C(=O)\C=C\c2ccccc2 Amb19892231 [0,0,0,1,0,1|1,0,0]=3 324 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccc[n]c2 Amb21738531 [0,0,0,1,0,1|2,0,0]=4 325 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccccc2 Amb20840991 [0,0,0,1,0,1|1,0,0]=3 326 B18R2.6573 CC(C)CNCc1c(O)ccc2ccccc12 Amb19890429 [0,0,0,1,0,1|1,0,1]=4 327 B18R2.6573 CN(CCOc1c(Cl)ccc2c1cccc2)C Amb1242609 [0,0,0,1,0,1|2,0,0]=4 328 B18R2.7182 CC(CCNC(=O)c1n[nH]c2c1cccc2)C Amb1384124 [0,0,0,1,0,1|2,0,0]=4 329 B18R2.7182 CN(CCNC(=O)c1csc2c1cccc2)C Amb2213902 [0,0,0,1,0,1|2,0,0]=4 330 B18R2.63530 Cc1cc(NCCC(C)C)[n]c2ccccc12 Amb20691902 [0,1,0,1,0,0|2,0,0]=4 331 B18R2.258 Cc1ccc(C=CC(=O)N2CC[C@@H](O)C2)cc1 Amb24020108 [0,1,0,1,0,0|2,0,0]=4 332 B18R2.258 O[C@@H]1CN(CC1)C(=O)C=Cc2ccc(Cl)cc2 Amb24020141 [0,1,0,1,0,0|2,0,0]=4 333 B18R2.258 O[C@@H]1CN(CC1)C(=O)C=Cc2ccc(F)cc2 Amb24019989 [0,1,0,1,0,0|2,0,0]=4 334 B18R2.258 O[C@H]1CN(CC1)C(=O)\C=C\c2ccc(F)cc2 Amb24187383 [0,1,0,1,0,0|2,0,0]=4 335 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2ccc[n]c2 Amb20911756 [0,1,0,1,0,0|2,0,0]=4 336 B18R2.253 CC1CCN(CC1)C(=O)\C=C/c2ccccc2 Amb1038154 [0,1,0,1,0,0|1,0,0]=3 337 B18R2.253 CC1CCN(CC1)C(=O)\C=C\c2cc[n]cc2 Amb20923425 [0,1,0,1,0,0|2,0,0]=4 338 B18R2.253 NC1CCN(CC1)C(=O)C=Cc2ccccc2 Amb17144343 [0,1,0,1,0,0|2,0,0]=4 339 B18R2.1364 NCC1CC(C1)OC(=O)NCc2ccccc2 Amb25025123 [0,1,0,1,0,0|1,0,1]=4 340 B18R2.2744 CSC1CN(CC1)C(=O)\C=C\c2ccccc2 Amb22717082 [0,1,0,1,0,0|1,0,0]=3 341 B18R2.29839 Cc1ccccc1C=CC(=O)N2C[C@@H](O)CC2 Amb24020010 [0,1,0,1,0,0|2,0,0]=4 342 B18R2.29839 O[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Br Amb24019949 [0,1,0,1,0,0|2,0,0]=4 343 B18R2.71602 CC(CCNC(=O)c1nc2n(c1)cccc2)C Amb15850709 [0,1,0,1,0,0|2,0,0]=4 344 B18R2.71602 CC(N)CCNC(=O)c1cc2ccccc2[s]1 Amb23965990 [0,1,0,1,0,0|2,0,0]=4 345 B18R2.71602 CC(N)CCNC(=O)c1cc2ccccc2o1 Amb23966036 [0,1,0,1,0,0|2,0,0]=4 346 B18R2.71602 CN(C)CCOC(=O)c1cc2ccccc2o1 Amb21874130 [0,1,0,1,0,0|1,0,0]=3 347 B18R2.71602 CN(CCNC(=O)c1cc2c([nH]1)cccc2)C Amb2153231 [0,1,0,1,0,0|2,0,0]=4 348 B18R2.71602 CN(CCNC(=O)c1cc2c(o1)cccc2)C Amb1951186 [0,1,0,1,0,0|2,0,0]=4 349 B18R2.6468 Cc1cc(C=CC(=O)N2CC[C@@H](O)C2)ccc1 Amb24020152 [0,1,0,1,0,0|2,0,0]=4 350 B18R2.6468 O[C@@H]1CN(CC1)C(=O)C=Cc2cccc(Br)c2 Amb24019977 [0,1,0,1,0,0|2,0,0]=4 351 B18R2.6468 O[C@@H]1CN(CC1)C(=O)C=Cc2cccc(Cl)c2 Amb24019971 [0,1,0,1,0,0|2,0,0]=4 352 B18R2.6468 O[C@@H]1CN(CC1)C(=O)C=Cc2cccc(F)c2 Amb24019972 [0,1,0,1,0,0|2,0,0]=4 353 B18R2.273536 CN(C)CCOc1ccc2cc(N)ccc2[n]1 Amb23925323 [0,1,0,1,0,0|2,0,0]=4 354 B18R2.30825 CN(C)CC1(C)OC(=O)C=C1c2ccccc2 Amb22449213 [0,1,0,1,0,0|1,0,0]=3 355 B18R2.71948 CC(CN(C)C)Oc1cc2ccccc2cc1 Amb22339974 [0,1,0,1,0,0|2,0,0]=4 356 B18R2.12980 CC(C)[C@@H](N)COc1ccc2[n]cccc2c1 Amb18538736 [0,1,0,1,0,0|2,0,0]=4 357 B18R2.12980 CC(C)[C@@H](N)COc1ccc2ccccc2c1 Amb18538727 [0,1,0,1,0,0|1,0,0]=3 358 B18R2.12980 CC(COc1cc2ccccc2cc1)N(C)C Amb22339976 [0,1,0,1,0,0|2,0,0]=4 359 B18R2.14560 CC(CCOc1ccc2c(c1)cccc2)(N)C Amb17074908 [0,1,0,1,0,0|1,0,0]=3 360 B18R2.14560 CC(CCOc1ccc2c(c1)cccn2)(N)C Amb17074910 [0,1,0,1,0,0|2,0,0]=4 361 B14R1.158 CCCCCC(=O)Cc1ccccc1 Amb19061100 [1,0,0,0,1,0|1,0,1]=4 362 B14R1.422 CC(C)CCOCCc1ccccc1 Amb22732326 [1,0,0,0,1,0|0,0,2]=4 363 B14R1.422 CC(C)NCCC=Cc1ccccc1 Amb19072704 [1,0,0,0,1,0|1,0,1]=4 364 B14R1.422 CC(CNC\C=C\c1ccccc1)C Amb1922701 [1,0,0,0,1,0|1,0,1]=4 365 B14R1.422 CC(C\N=C\C=C\c1ccccc1)C Amb10570115 [1,0,0,0,1,0|1,0,0]=3 366 B14R1.420 CC(Br)CCCC(=O)c1ccccc1 Amb24065394 [0,0,0,0,2,0|2,0,0]=4 367 B14R1.420 CC(C)=CCOC(=O)c1ccccc1 Amb22230253 [0,0,0,0,2,0|0,0,2]=4 368 B14R1.420 CC(CCNC(=O)c1ccncc1)C Amb1954131 [0,0,0,0,2,0|2,0,0]=4 369 B14R1.420 CN(C)CCCC(=O)c1ccccc1 Amb24117967 [0,0,0,0,2,0|2,0,0]=4 370 B14R1.420 CN(C)CCOC(=O)c1ccccc1 Amb17778565 [0,0,0,0,2,0|1,0,0]=3 371 B14R1.420 CN(CCCC(=O)c1ccccc1)C Amb1951190 [0,0,0,0,2,0|2,0,0]=4 372 B14R1.420 CN(CCNC(=O)c1ccccc1)C Amb1206078 [0,0,0,0,2,0|2,0,0]=4 373 B14R1.420 C[NH+](C)CCOC(=O)c1c[nH+]ccc1 Amb24085516 [0,0,0,0,2,0|2,0,0]=4 374 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 Amb25108055 [0,0,0,0,2,0|1,0,0]=3 375 B14R1.423 CC(C)CCC(=S)Nc1ccccc1 Amb25844437 [0,0,0,0,2,0|1,1,0]=4 376 B14R1.423 CC(C)COC(=O)Nc1cccc[n]1 Amb24598251 [0,0,0,0,2,0|2,0,0]=4 377 B14R1.423 CC(C)CSC(=O)Nc1ccccc1 Amb25678526 [0,0,0,0,2,0|1,1,0]=4 378 B14R1.423 CC(CCC(=O)Nc1ccccc1)O Amb17336624 [0,0,0,0,2,0|2,0,0]=4 379 B14R1.423 CC(CCC(=O)Nc1cccnc1)C Amb15739642 [0,0,0,0,2,0|2,0,0]=4 380 B14R1.423 CC(CNC(=O)Nc1ccccc1)C Amb1233725 [0,0,0,0,2,0|2,0,0]=4 381 B14R1.423 CC(COC(=O)Nc1ccccc1)C Amb1017293 [0,0,0,0,2,0|1,0,0]=3 382 B14R1.423 CC(COC(=S)Nc1ccccc1)C Amb1039629 [0,0,0,0,2,0|1,1,0]=4 383 B14R1.423 CC(Cl)CCC(=O)Nc1ccccc1 Amb25743078 [0,0,0,0,2,0|2,0,0]=4 384 B14R1.423 CC(N)CCC(=O)Nc1ccccc1 Amb23536725 [0,0,0,0,2,0|2,0,0]=4 385 B14R1.423 CC(S)CCC(=O)Nc1ccccc1 Amb24601450 [0,0,0,0,2,0|2,0,0]=4 386 B14R1.423 CC(SCC(=O)Nc1ccccc1)C Amb2556743 [0,0,0,0,2,0|2,0,0]=4 387 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 Amb24499140 [0,0,0,0,2,0|2,0,0]=4 388 B14R1.423 C\C(\CNC(C)C)=C/c1ccccc1 Amb19892839 [0,0,0,0,2,0|2,0,0]=4 389 B14R1.423 C\C(\CNC(C)C)=C/c1ccccc1 Amb20673473 [0,0,0,0,2,0|2,0,0]=4 390 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,0,0,0,2,0|1,0,1]=4 391 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 Amb22346076 [0,0,0,0,2,0|0,0,0]=2 392 B14R1.818 CC(C)CC(=O)\C=C\c1ccccc1 Amb22731159 [0,0,0,0,2,0|0,0,0]=2 393 B14R1.818 CC(C)NC(=O)\C=C\c1ccc[n]c1 Amb25728495 [0,0,0,0,2,0|2,0,0]=4 394 B14R1.818 CC(C)NC(=S)\C=C\c1ccccc1 Amb25077260 [0,0,0,0,2,0|1,1,0]=4 395 B14R1.818 CC(C)OC(=O)NCc1ccccc1 Amb25798341 [0,0,0,0,2,0|1,0,1]=4 396 B14R1.818 CC(C)OC(=O)NNc1ccccc1 Amb22446043 [0,0,0,0,2,0|2,0,0]=4 397 B14R1.818 CC(C)OC(=O)OCc1ccccc1 Amb25185793 [0,0,0,0,2,0|1,0,1]=4 398 B16R1.1694 CCCCCC(=O)N\N=C\c1ccccc1 Amb1419526 [1,0,0,0,0,1|2,0,0]=4 399 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 Amb24586280 [1,0,0,0,0,1|0,0,2]=4 400 B16R1.1694 CCCCOC(=O)COCc1ccccc1 Amb25094860 [1,0,0,0,0,1|0,0,2]=4 401 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccc[s]1 Amb21462534 [0,0,0,0,1,1|2,0,0]=4 402 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccco1 Amb21462582 [0,0,0,0,1,1|2,0,0]=4