0 B17R1.14436 O=C(CCC(=O)C)NCCc1cccc(c1)Cl Amb16886503 [0,0,0,0,0,0|1,0,2]=3 1 B17R1.14436 O=C(CCC(=O)O)NCCc1cccc(c1)C Amb13881936 [0,0,0,0,0,0|1,0,2]=3 2 B16R1.119 C=CCNC(=O)NCCc1cc(Cl)ccc1 Amb21196206 [1,0,0,0,0,0|2,0,1]=4 3 B16R1.119 OCCCC(=O)NCCc1cccc(c1)Cl Amb17410496 [1,0,0,0,0,0|0,0,3]=4 4 B16R1.18213 O=C(CCC(=O)C)NCCc1ccccc1 Amb16886476 [1,0,0,0,0,0|1,0,2]=4 5 B16R1.18213 O=C(CCC(=O)N)NCCc1ccccc1 Amb17143785 [1,0,0,0,0,0|1,0,2]=4 6 B16R1.18213 O=C(CCC(=O)O)NCCc1ccccc1 Amb1783860 [1,0,0,0,0,0|0,0,2]=3 7 B16R1.18213 O=C(CCC(=O)O)NCCc1ccncc1 Amb1061391 [1,0,0,0,0,0|1,0,2]=4 8 B16R1.18213 O=C(CCC(=O)[O-])NCCc1ccccc1 Amb1011437 [1,0,0,0,0,0|0,0,3]=4 9 B16R1.18213 O=C(\C=C/C(=O)O)NCCc1ccncc1 Amb1061017 [1,0,0,0,0,0|1,0,0]=2 10 B16R1.18213 OC(=O)\C=C/C(=O)NOCc1ccccc1 Amb24515926 [1,0,0,0,0,0|1,0,0]=2 11 B16R1.18213 OC(=O)\C=C\C(=O)N\N=C\c1ccccc1 Amb22360501 [1,0,0,0,0,0|1,0,1]=3 12 B18R1.10370 OC(=O)CCC(=O)NCCc1cc(Br)ccc1F Amb25634179 [0,1,0,0,0,0|0,1,2]=4 13 B18R1.17702 O=C(NNC(=O)c1cccc(c1)Br)\C=C/C(=O)O Amb2459376 [0,1,0,0,0,0|1,1,1]=4 14 B18R1.17750 OC(=O)\C=C\C(=O)NC(=O)Nc1cccc(Cl)c1 Amb23914541 [0,1,0,0,0,0|1,0,1]=3 15 B18R1.32363 OC(=O)CCC(=O)NCCc1cc(F)c(F)cc1 Amb25541489 [0,1,0,0,0,0|0,1,2]=4 16 B18R2.269 Clc1cc(CCNc2ccc(Cl)cc2)ccc1 Amb22494584 [0,0,0,1,0,0|3,0,0]=4 17 B18R2.269 Fc1ccc(cc1)NCCc2cccc(Cl)c2 Amb22754227 [0,0,0,1,0,0|3,0,0]=4 18 B18R2.4015 OC(=O)CCC(=O)N1CCc2c1ccc(c2)Br Amb17597583 [0,0,0,1,0,0|0,1,2]=4 19 B18R2.4015 OC(=O)CCC(=O)N1CCc2cc(Cl)ccc12 Amb18877993 [0,0,0,1,0,0|0,0,2]=3 20 B18R2.59662 Cc1cccc2CCN(c21)C(=O)CCC(O)=O Amb24842644 [0,0,0,1,0,0|1,0,2]=4 21 B18R2.65833 Cc1cc(C(O)=O)[n](Cc2cc(Cl)ccc2)[n]1 Amb18072845 [0,0,0,1,0,0|2,0,1]=4 22 B16R1.82 CC(C)=CC(=O)NCCc1cccc(F)c1 Amb21156478 [0,0,0,0,1,0|2,1,0]=4 23 B16R1.6878 OC(=O)\C=C/C(=O)NCCn1cc(cn1)Br Amb10790655 [0,0,0,0,1,0|2,1,0]=4 24 B16R1.11227 Cc1cc(CCC(=O)NCC(O)=O)ccc1 Amb24777273 [0,0,0,0,1,0|2,0,1]=4 25 B16R1.11227 O=C(NCc1cccc(c1)Br)CCC(=O)O Amb1840074 [0,0,0,0,1,0|0,1,2]=4 26 B16R1.11227 O=C(NCc1cccc(c1)C)NCC(=O)O Amb1133538 [0,0,0,0,1,0|2,0,1]=4 27 B18R1.9965 O=C(CCNC(=O)C)NCCc1cccc(c1)Cl Amb16865249 [0,0,0,0,0,1|1,0,2]=4 28 B18R1.9965 O=C(NCCC(=O)O)NCCc1cccc(c1)Cl Amb17042895 [0,0,0,0,0,1|0,0,2]=3 29 B18R1.9965 O=C(NCCc1cccc(c1)C)CCCC(=O)O Amb17412788 [0,0,0,0,0,1|1,0,2]=4 30 B18R1.9965 OC(=O)CCNC(=O)NCCc1cc(O)ccc1 Amb25638238 [0,0,0,0,0,1|1,0,2]=4 31 B18R1.17766 O=C(NCC(=O)O)CCCSc1cccc(c1)Cl Amb17148868 [0,0,0,0,0,1|2,0,1]=4 32 B18R1.17766 OC(=O)CCC(=O)NCCNc1cc(Br)ccc1 Amb24980992 [0,0,0,0,0,1|0,1,2]=4 33 B18R1.17766 OC(=O)CCC(=O)NCCOc1cccc(Br)c1 Amb25520776 [0,0,0,0,0,1|0,1,2]=4 34 B15R1.504 OC(=O)\C=C\CNOCc1ccccc1 Amb25825473 [2,0,0,0,0,0|1,0,1]=4 35 B15R1.504 OC(=O)\C=C\SCCCc1ccccc1 Amb22448091 [2,0,0,0,0,0|2,0,0]=4 36 B17R1.1832 CC=CC=CC(=O)NCCc1cccc(F)c1 Amb21156481 [1,1,0,0,0,0|1,1,0]=4 37 B17R1.1143 O=C(CCC(=O)O)NCCc1ccc(cc1)Cl Amb1841054 [1,1,0,0,0,0|0,0,2]=4 38 B17R1.5005 CC(Cc1ccccc1)NC(=O)CCC(O)=O Amb20207624 [1,1,0,0,0,0|0,0,2]=4 39 B17R1.5005 O=C(Nc1ccccc1)NC(=O)\C=C\C(=O)O Amb2221267 [1,1,0,0,0,0|1,0,1]=4 40 B17R1.5010 CN(C(=O)CCC(=O)O)CCc1ccccc1 Amb17408867 [1,1,0,0,0,0|0,0,2]=4 41 B17R1.11270 O=C(CCC(=O)O)NCCc1ccccc1C Amb13881935 [1,1,0,0,0,0|0,0,2]=4 42 B17R1.16318 O=C(\C(=C/C(=O)O)\C)NCCc1ccccc1 Amb2542695 [1,1,0,0,0,0|0,0,0]=2 43 B17R1.14430 CC(C(O)=O)C(=O)NCCc1cccc(Cl)c1 Amb24793048 [0,1,0,0,1,0|0,0,1]=3 44 B17R1.14430 Cc1cccc(CCNC(=O)C(C)C(O)=O)c1 Amb24793042 [0,1,0,0,1,0|1,0,1]=4 45 B17R1.1062 OC(=O)CCC(=O)NCc1ccc(F)c(Cl)c1 Amb18904552 [0,1,0,0,1,0|0,0,2]=4 46 B17R1.1403 COC(=O)CCC(=O)NCc1cccc(c1)Cl Amb17414646 [0,1,0,0,1,0|0,0,2]=4 47 B17R1.1403 COC(=O)CNC(=O)CCc1cccc(Cl)c1 Amb21691139 [0,1,0,0,1,0|1,0,1]=4 48 B17R1.9099 OC(=O)CNC(=O)CCc1cc(Cl)ccc1Br Amb25574049 [0,1,0,0,1,0|1,0,1]=4 49 B17R1.9099 Oc1ccc(cc1CCC(=O)NCC(=O)O)Cl Amb17146042 [0,1,0,0,1,0|1,0,1]=4 50 B17R1.14342 OC(=O)C=CC(=O)NCc1cccc(Cl)c1Cl Amb22463560 [0,1,0,0,1,0|0,0,0]=2 51 B17R1.14407 CC(Cc1cccc(Cl)c1)C(=O)NCC(O)=O Amb25597275 [0,1,0,0,1,0|1,0,1]=4 52 B17R1.14407 OC(=O)\C=C\C(=O)N(Cc1cccc(c1)C)C Amb17157553 [0,1,0,0,1,0|1,0,0]=3 53 B19R1.145656 OC(=O)CCC(=O)NCC(O)c1cc(Cl)cc(Cl)c1 Amb25519250 [0,2,0,0,0,0|0,0,2]=4 54 B19R1.58597 CCOC(=O)CNC(=O)NCCc1cccc(c1)Cl Amb2136438 [0,2,0,0,0,0|1,0,1]=4 55 B17R2.41855 Nc1cc(CN2NC(=O)C=CC2=O)ccc1 Amb18281032 [1,0,0,1,0,0|2,0,0]=4 56 B17R2.150275 Cc1cccc(c1)CCN2C(=O)C=CC2=O Amb17404408 [1,0,0,1,0,0|1,0,0]=3 57 B17R2.150275 Clc1cccc(c1)CCN2C(=O)C=CC2=O Amb17409118 [1,0,0,1,0,0|0,0,0]=2 58 B17R2.150275 Clc1cccc(c1)CCN2C(=O)CCC2=O Amb17409758 [1,0,0,1,0,0|0,0,2]=4 59 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 Amb19374629 [1,0,0,1,0,0|2,0,0]=4 60 B17R2.877 OC(=O)\C=C/C(=O)N1CCc2c1cccc2 Amb16494480 [1,0,0,1,0,0|0,0,0]=2 61 B17R2.3350 OC(=O)[C@@H]1CC(=O)N[C@H]1Cc2ccccc2 Amb18168585 [1,0,0,1,0,0|0,0,2]=4 62 B17R2.5365 NC1=CN(CCc2ccccc2)C(=O)C=C1 Amb18030070 [1,0,0,1,0,0|2,0,0]=4 63 B17R2.5365 O=C1C=CC(=O)NN1CCc2cccc[n]2 Amb22346080 [1,0,0,1,0,0|2,0,0]=4 64 B17R2.3370 OC(=O)\C=C/1\CC(CC1)c2cc(Cl)ccc2 Amb18576136 [0,0,0,1,1,0|2,0,0]=4 65 B17R2.19563 OC(=O)C1C(CNC1=O)c2cc(F)ccc2 Amb21965142 [0,0,0,1,1,0|0,1,1]=4 66 B17R2.3375 OC(=O)C1NC(=O)CC1c2cc(Cl)ccc2 Amb21965091 [0,0,0,1,1,0|1,0,1]=4 67 B17R2.3375 OC(=O)C=1NC(=O)NC1c2cc(Cl)ccc2 Amb20243306 [0,0,0,1,1,0|1,0,1]=4 68 B17R2.3375 OC(=O)[C@@H]1CC(=O)N[C@H]1c2cc(Cl)ccc2 Amb18157186 [0,0,0,1,1,0|0,0,2]=4 69 B19R2.4370 Cc1ccc([s]1)C(=O)NCCc2cccc(Cl)c2 Amb20702948 [0,0,0,1,0,1|1,1,0]=4 70 B19R2.4370 Clc1cccc(c1)CCNC(=O)c2ccc(o2)C Amb13961509 [0,0,0,1,0,1|1,0,0]=3 71 B19R2.4370 Clc1cccc(c1)CCNC(=O)c2ccc(s2)Br Amb11229794 [0,0,0,1,0,1|1,1,0]=4 72 B19R2.4370 Clc1cccc(c1)CCNC(=O)c2nnc(o2)C Amb16923212 [0,0,0,1,0,1|2,0,0]=4 73 B19R2.4370 Fc1cccc(c1)CCNC(=O)c2ccc(o2)C Amb10615888 [0,0,0,1,0,1|1,1,0]=4 74 B19R2.4370 Fc1cccc(c1)CCNC(=O)c2ccc(o2)Cl Amb15943196 [0,0,0,1,0,1|1,1,0]=4 75 B19R2.4370 Oc1cccc(c1)CCNC(=O)c2ccc(o2)Br Amb15727304 [0,0,0,1,0,1|2,0,0]=4 76 B19R2.483225 Oc1[n]cc(C(O)=O)[n]1CCc2cccc(Cl)c2 Amb18884621 [0,0,0,1,0,1|0,0,1]=3 77 B19R2.483605 OC(=O)C1CC1C(=O)NCCc2cccc(Cl)c2 Amb23919172 [0,0,0,1,0,1|0,0,2]=4 78 B19R2.4514 OC(=O)CCC(=O)N1CCCc2cc(Cl)ccc12 Amb18885006 [0,0,0,1,0,1|0,0,2]=4 79 B19R2.48121 OC(=O)CC1C(=O)NCCN1c2cccc(c2)Cl Amb17040605 [0,0,0,1,0,1|0,0,2]=4 80 B19R2.635781 Nc1cc(Cl)cc2CCN(c21)C(=O)CCC(O)=O Amb18232044 [0,1,0,1,0,0|0,0,2]=4 81 B19R2.483262 CC1=C(C(O)=O)N(Cc2cc(Cl)ccc2)OC1=O Amb18592936 [0,1,0,1,0,0|2,0,0]=4 82 B19R2.101667 OC(=O)C1CC(=O)N(C1)CCc2cccc(c2)Cl Amb17362206 [0,1,0,1,0,0|0,0,2]=4 83 B19R2.483994 Cc1cc(CC=2NC(=O)C=C(N2)C(O)=O)ccc1 Amb18544172 [0,1,0,1,0,0|1,0,1]=4 84 B19R2.103501 OC(=O)C1=CC(=O)CCC1c2cccc(Cl)c2Cl Amb22472099 [0,1,0,1,0,0|1,0,0]=3 85 B19R2.485027 OC(=O)CCC(=O)N1Cc2ccc(Cl)cc2CC1 Amb24977878 [0,1,0,1,0,0|0,0,2]=4 86 B19R2.101316 CC=1C=CC(=O)N(CC(O)c2cccc(Cl)c2)N1 Amb22132435 [0,1,0,1,0,0|2,0,0]=4 87 B19R2.103497 OC(=O)C1=CC(=O)CCC1c2cc(Cl)c(Cl)cc2 Amb22460798 [0,1,0,1,0,0|1,0,0]=3 88 B15R1.5919 CC(=O)\C=C\C(=O)NCc1ccccc1 Amb24512792 [1,0,0,0,1,0|1,0,0]=3 89 B15R1.5919 O=C(C=CC(=O)O)NCc1ccncc1 Amb13995437 [1,0,0,0,1,0|1,0,0]=3 90 B15R1.5919 O=C(NCC(=O)O)CCc1ccccc1 Amb1128265 [1,0,0,0,1,0|1,0,1]=4 91 B15R1.5919 O=C(NCc1cccnc1)\C=C/C(=O)O Amb2579742 [1,0,0,0,1,0|1,0,0]=3 92 B15R1.5919 O=C(NCc1cccnc1)\C=C\C(=O)O Amb1234977 [1,0,0,0,1,0|1,0,0]=3 93 B15R1.5919 O=C(\C=C/C(=O)N)NCc1ccccc1 Amb1235090 [1,0,0,0,1,0|1,0,0]=3 94 B15R1.5919 O=C(\C=C/C(=O)O)NCc1ccccc1 Amb1255069 [1,0,0,0,1,0|0,0,0]=2 95 B15R1.5919 O=C(\C=C\C(=O)N)NCc1ccccc1 Amb1251671 [1,0,0,0,1,0|1,0,0]=3 96 B15R1.5919 OC(=O)\C=N\C(=O)OCc1ccccc1 Amb24117918 [1,0,0,0,1,0|2,0,0]=4 97 B15R1.9084 O=C(C=C(C)C)NCCc1ccccc1 Amb2560676 [1,0,0,0,1,0|2,0,0]=4 98 B15R1.9084 O=C(CC(=O)C)NCCc1ccccc1 Amb1871453 [1,0,0,0,1,0|1,0,1]=4 99 B15R1.9084 OC(=O)CC(=O)NOCc1ccccc1 Amb25365206 [1,0,0,0,1,0|1,0,1]=4 100 B15R1.121 Brc1cccc(c1)CCNC(=O)C(=O)O Amb17420068 [0,0,0,0,2,0|0,1,0]=3 101 B15R1.121 Cc1cccc(c1)CCNC(=O)C(=O)O Amb17403418 [0,0,0,0,2,0|1,0,0]=3 102 B15R1.121 Clc1cccc(c1)CCNC(=O)C(=O)O Amb17048357 [0,0,0,0,2,0|0,0,0]=2 103 B15R1.8263 CC(C)=CC(=O)NCc1cccc(Cl)c1 Amb21129715 [0,0,0,0,2,0|2,0,0]=4 104 B15R1.8263 C\C(=C/C(=O)O)\COc1cccc(c1)Cl Amb17247476 [0,0,0,0,2,0|2,0,0]=4 105 B15R1.8263 C\C(\CNc1cccc(Cl)c1)=C\C(O)=O Amb25250494 [0,0,0,0,2,0|2,0,0]=4 106 B15R1.120 Cc1cc(cc[n]1)NC(=O)\C=C/C(O)=O Amb24515831 [0,0,0,0,2,0|2,0,0]=4 107 B15R1.120 Nc1cc(ccc1)NC(=O)\C=C\C(O)=O Amb19748652 [0,0,0,0,2,0|1,0,0]=3 108 B15R1.120 O=C(Nc1cccc(c1)Br)\C=C/C(=O)O Amb1235101 [0,0,0,0,2,0|0,1,0]=3 109 B15R1.120 O=C(Nc1cccc(c1)Br)\C=C\C(=O)O Amb1922182 [0,0,0,0,2,0|0,1,0]=3 110 B15R1.120 O=C(Nc1cccc(c1)C)\C=C/C(=O)O Amb2459357 [0,0,0,0,2,0|1,0,0]=3 111 B15R1.120 O=C(Nc1cccc(c1)Cl)NCC(=O)O Amb1113877 [0,0,0,0,2,0|1,0,1]=4 112 B15R1.120 O=C(Nc1cccc(c1)F)\C=C/C(=O)O Amb1269962 [0,0,0,0,2,0|0,1,0]=3 113 B15R1.120 O=C(Nc1cccc(c1)I)\C=C\C(=O)O Amb1016536 [0,0,0,0,2,0|0,1,0]=3 114 B15R1.120 O=C(Nc1cccc(c1)O)\C=C/C(=O)O Amb1804671 [0,0,0,0,2,0|1,0,0]=3 115 B15R1.120 O=C(Nc1cccc(c1)O)\C=C\C(=O)O Amb1200104 [0,0,0,0,2,0|1,0,0]=3 116 B15R1.120 OC(=O)C=CC(=O)Nc1cccc(F)c1 Amb24094411 [0,0,0,0,2,0|0,1,0]=3 117 B15R1.120 OC(=O)\C=C/C(=O)Nc1cc(Cl)[n]c[n]1 Amb24725017 [0,0,0,0,2,0|2,0,0]=4 118 B15R1.120 OC(=O)\C=C/C(=O)Nc1cc[n]c(Br)c1 Amb24515933 [0,0,0,0,2,0|1,1,0]=4 119 B15R1.120 OC(=O)\C=C/C(=O)Nc1cc[n]c(Cl)c1 Amb22481080 [0,0,0,0,2,0|1,0,0]=3 120 B15R1.120 OC(=O)\C=C\C(=O)Nc1c[n]cc(F)c1 Amb25316370 [0,0,0,0,2,0|1,1,0]=4 121 B15R1.120 OC(=O)\C=C\C(=O)Nc1cc[n]c(Br)c1 Amb25172671 [0,0,0,0,2,0|1,1,0]=4 122 B15R1.120 OC(=O)\C=C\C(=O)Nc1cccc(Cl)[n]1 Amb25704712 [0,0,0,0,2,0|1,0,0]=3 123 B15R1.120 OC(=O)\C=C\C(=O)Nc1cccc(F)[n]1 Amb25783285 [0,0,0,0,2,0|1,1,0]=4 124 B17R1.16611 O=C(NCCC(=O)O)NCCc1ccccc1 Amb17042866 [1,0,0,0,0,1|0,0,2]=4 125 B17R1.16611 O=C(NCCc1ccccc1)CCCC(=O)O Amb1838357 [1,0,0,0,0,1|0,0,2]=4 126 B17R1.16611 O=C(NCCc1ccccc1)COCC(=O)O Amb1888835 [1,0,0,0,0,1|0,0,2]=4 127 B17R1.16611 OC(=O)\C=C\NC(=O)NCCc1ccccc1 Amb22960488 [1,0,0,0,0,1|0,0,0]=2 128 B17R1.16611 OC(=O)\C=N\NC(=S)NCCc1ccccc1 Amb19925673 [1,0,0,0,0,1|1,1,0]=4 129 B19R1.10253 O=C(NCCCC(=O)O)NCCc1cccc(c1)Cl Amb17043008 [0,0,0,0,0,2|0,0,2]=4