0 B17R1.14436 O=C(O)C=CC(=O)NCCC1=CC=CC(=C1)Cl MCULE-6556864971 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.14436 O=C(O)CCC(=O)NCCC1=CC(=CC=C1)Cl MCULE-2739643251 [0,0,0,0,0,0|0,0,2]=2 2 B16R1.18213 NC(=O)CCC(=O)NCCC1=CC=CC=C1 MCULE-2904946098 [1,0,0,0,0,0|1,0,2]=4 3 B16R1.18213 O=C(O)/C=C\C(=O)NCCC1=CC=NC=C1 MCULE-6806427132 [1,0,0,0,0,0|1,0,0]=2 4 B16R1.18213 O=C(O)C=CC(=O)NCCC1=CC=CC=C1 MCULE-4076517092 [1,0,0,0,0,0|0,0,0]=1 5 B16R1.18213 O=C(O)C=CC(=O)NCCC1=CC=NC=C1 MCULE-3943789361 [1,0,0,0,0,0|1,0,0]=2 6 B16R1.18213 O=C(O)C=CC(=O)NN=CC1=CC=CC=C1 MCULE-6286425657 [1,0,0,0,0,0|1,0,1]=3 7 B16R1.18213 O=C(O)CCC(=O)NCCC1=CC=CC=C1 MCULE-4942912215 [1,0,0,0,0,0|0,0,2]=3 8 B16R1.18213 O=C(O)CCC(=O)NCCC1=CC=NC=C1 MCULE-3831604662 [1,0,0,0,0,0|1,0,2]=4 9 B16R1.18213 O=C(O)CCC(=O)OCCC1=CC=CC=C1 MCULE-4207075215 [1,0,0,0,0,0|1,0,2]=4 10 B16R1.18213 O=C([O-])CCC(=O)NCCC1=CC=CC=C1 MCULE-4657860413 [1,0,0,0,0,0|0,0,3]=4 11 B16R1.18213 O=C([O-])CCC(=O)NCCC1=CC=CC=C1 MCULE-5612687043 [1,0,0,0,0,0|0,0,3]=4 12 B18R1.17702 CC1=CC(=CC=C1)C(=O)NNC(=O)/C=C/C(=O)O MCULE-9059859259 [0,1,0,0,0,0|2,0,1]=4 13 B18R1.17702 CC1=CC(=CC=C1)C(=O)NNC(=O)C=CC(=O)O MCULE-1004676910 [0,1,0,0,0,0|2,0,1]=4 14 B18R1.17702 O=C(O)/C=C/C(=O)NNC(=O)C1=CC(=CC=C1)Br MCULE-5899164537 [0,1,0,0,0,0|1,1,1]=4 15 B18R1.17702 O=C(O)/C=C/C(=O)NNC(=O)C1=CC(=CC=C1)Cl MCULE-4638388022 [0,1,0,0,0,0|1,0,1]=3 16 B18R1.17702 O=C(O)C=CC(=O)NNC(=O)C1=CC(=CC=C1)Br MCULE-3643432084 [0,1,0,0,0,0|1,1,1]=4 17 B18R1.17702 O=C(O)C=CC(=O)NNC(=O)C1=CC(=CC=C1)Cl MCULE-5721562078 [0,1,0,0,0,0|1,0,1]=3 18 B18R2.269 ClC1=CC=C(C=C1)NCCC2=CC=CC(=C2)Cl MCULE-3387695170 [0,0,0,1,0,0|3,0,0]=4 19 B18R2.269 FC1=CC=C(C=C1)NCCC2=CC=CC(=C2)Cl MCULE-2580071168 [0,0,0,1,0,0|3,0,0]=4 20 B18R2.4015 O=C(O)CCC(=O)N1CCC2=CC(=CC=C12)F MCULE-3583474133 [0,0,0,1,0,0|0,1,2]=4 21 B16R1.6878 O=C(O)C=CC(=O)NCCN1C=C(C=N1)Br MCULE-6576428680 [0,0,0,0,1,0|2,1,0]=4 22 B16R1.11227 O=C(O)C=CC(=O)NCC1=CC=CC(=C1)Cl MCULE-2014659124 [0,0,0,0,1,0|0,0,0]=1 23 B16R1.11227 O=C(O)CCC(=O)NCC1=CC(=CC=C1)Br MCULE-8114696117 [0,0,0,0,1,0|0,1,2]=4 24 B18R1.9965 O=C(O)CCCC(=O)NCCC1=CC=CC(=C1)Cl MCULE-3695724722 [0,0,0,0,0,1|0,0,2]=3 25 B18R1.9965 O=C(O)COCC(=O)NCCC1=CC=CC(=C1)Cl MCULE-3839688167 [0,0,0,0,0,1|0,0,2]=3 26 B17R1.1143 O=C(O)C=CC(=O)NCCC1=CC=C(C=C1)Cl MCULE-2176222655 [1,1,0,0,0,0|0,0,0]=2 27 B17R1.1143 O=C(O)CCC(=O)NCCC1=CC=C(C=C1)Cl MCULE-7179030188 [1,1,0,0,0,0|0,0,2]=4 28 B17R1.1327 CC(=NNC(=O)C=CC(=O)O)C1=CC=CC=C1 MCULE-5974037488 [1,1,0,0,0,0|1,0,1]=4 29 B17R1.1327 O=C(O)C=CC(=O)NNC(=O)C1=CC=CC=C1 MCULE-7289845687 [1,1,0,0,0,0|1,0,1]=4 30 B17R1.5005 CC(CC1=CC=CC=C1)NC(=O)C=CC(=O)O MCULE-3896303236 [1,1,0,0,0,0|0,0,0]=2 31 B17R1.5005 NC(=O)C=CC(=O)NC(=O)CC1=CC=CC=C1 MCULE-8683236033 [1,1,0,0,0,0|1,0,1]=4 32 B17R1.5005 O=C(O)C=CC(=O)NC(=O)NC1=CC=CC=C1 MCULE-2131595230 [1,1,0,0,0,0|1,0,1]=4 33 B17R1.16303 CC(NC(=O)NCCC1=CC=CC=C1)C(=O)O MCULE-3418543275 [1,1,0,0,0,0|1,0,1]=4 34 B17R1.16303 C[C@H](NC(=O)NCCC1=CC=CC=C1)C(=O)O MCULE-6688236350 [1,1,0,0,0,0|1,0,1]=4 35 B17R1.16318 CC(=CC(=O)O)C(=O)NCCC1=CC=CC=C1 MCULE-9234499595 [1,1,0,0,0,0|0,0,0]=2 36 B17R1.26833 COC(=O)C=CC(=O)NCCC1=CC=CC=C1 MCULE-7600322349 [1,1,0,0,0,0|0,0,0]=2 37 B17R1.1062 O=C(O)C=CC(=O)NCC1=CC=C(C(=C1)Cl)Cl MCULE-2717505343 [0,1,0,0,1,0|0,0,0]=2 38 B17R1.28454 COC1=CC(=CC=C1)CNC(=O)C=CC(=O)O MCULE-3663925789 [0,1,0,0,1,0|1,0,0]=3 39 B19R1.58597 CCOC(=O)CNC(=O)NCCC1=CC=CC(=C1)Cl MCULE-8808938552 [0,2,0,0,0,0|1,0,1]=4 40 B17R1.14600 O=C(O)C=CC(=O)NCC1=C(C=C(C=C1)Cl)Cl MCULE-9260550045 [0,0,1,1,0,0|1,0,1]=4 41 B17R2.41856 O=C(O)C1=CC=CN1CC2=CC=CC(=C2)Cl MCULE-6528682674 [1,0,0,1,0,0|2,0,0]=4 42 B17R2.41855 NC1=CC(=CC=C1)CN2NC(=O)C=CC2=O MCULE-5680313291 [1,0,0,1,0,0|2,0,0]=4 43 B17R2.216 OC1=CC=C(C=C1)NCCC2=CC=CC=C2 MCULE-4210602890 [1,0,0,1,0,0|2,0,0]=4 44 B17R2.216 OC1=CC=C(C=C1)NCCC2=CC=CC=C2 MCULE-5039316984 [1,0,0,1,0,0|2,0,0]=4 45 B17R2.877 O=C(O)/C=C/C(=O)N1CCC2=C1C=CC=C2 MCULE-8483307371 [1,0,0,1,0,0|0,0,0]=2 46 B17R2.877 O=C(O)C=CC(=O)N1C=NC2=CC=CC=C12 MCULE-1554255081 [1,0,0,1,0,0|1,0,1]=4 47 B17R2.877 O=C(O)C=CC(=O)N1CCC2=C1C=CC=C2 MCULE-9262530949 [1,0,0,1,0,0|0,0,0]=2 48 B17R2.877 O=C(O)CCC(=O)N1CCC2=C1C=CC=C2 MCULE-8578773876 [1,0,0,1,0,0|0,0,2]=4 49 B17R2.877 O=C(O)CNC(=O)N1CCC2=C1C=CC=C2 MCULE-6661702262 [1,0,0,1,0,0|1,0,1]=4 50 B17R2.19563 O=C(O)C1C(=O)NCC1C2=CC(=CC=C2)F MCULE-3306929704 [0,0,0,1,1,0|0,1,1]=4 51 B17R2.3375 O=C1CC(C(N1)C(=O)O)C2=CC=CC(=C2)Cl MCULE-8652681150 [0,0,0,1,1,0|1,0,1]=4 52 B17R2.3375 O=C1NC(=C(N1)C2=CC(=CC=C2)Cl)C(=O)O MCULE-7566276611 [0,0,0,1,1,0|1,0,1]=4 53 B19R2.4370 O=C(NCCC1=CC(=CC=C1)Cl)C2=CC=C(O2)Br MCULE-8696987858 [0,0,0,1,0,1|1,0,0]=3 54 B19R2.101667 O=C(O)C1CC(=O)N(C1)CCC2=CC=CC(=C2)Cl MCULE-3811445443 [0,1,0,1,0,0|0,0,2]=4 55 B15R1.5919 NC(=O)C=CC(=O)NCC1=CC=CC=C1 MCULE-6445222201 [1,0,0,0,1,0|1,0,0]=3 56 B15R1.5919 O=C(O)/C=C/C(=O)NCC1=CC=CC=C1 MCULE-1517279934 [1,0,0,0,1,0|0,0,0]=2 57 B15R1.5919 O=C(O)/C=C/C(=O)NNC1=CC=CC=C1 MCULE-2228904226 [1,0,0,0,1,0|1,0,0]=3 58 B15R1.5919 O=C(O)/C=C\C(=O)NCC1=CC=CC=C1 MCULE-9804411077 [1,0,0,0,1,0|0,0,0]=2 59 B15R1.5919 O=C(O)C=CC(=O)NCC1=CC=CC=C1 MCULE-6921789813 [1,0,0,0,1,0|0,0,0]=2 60 B15R1.5919 O=C(O)C=CC(=O)NCC1=CC=CN=C1 MCULE-9318109226 [1,0,0,0,1,0|1,0,0]=3 61 B15R1.5919 O=C(O)C=CC(=O)NCC1=CC=NC=C1 MCULE-6889782347 [1,0,0,0,1,0|1,0,0]=3 62 B15R1.5919 O=C(O)C=CC(=O)NCC1=NC=CC=C1 MCULE-8573433739 [1,0,0,0,1,0|1,0,0]=3 63 B15R1.5919 O=C(O)C=CC(=O)NNC1=CC=CC=C1 MCULE-3403758781 [1,0,0,0,1,0|1,0,0]=3 64 B15R1.5919 O=C(O)CCC(=O)NCC1=CC=CC=C1 MCULE-8513990714 [1,0,0,0,1,0|0,0,2]=4 65 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 MCULE-5429563264 [1,0,0,0,1,0|1,0,1]=4 66 B15R1.5919 O=C(O)CNC(=O)NCC1=CC=CC=C1 MCULE-3548003326 [1,0,0,0,1,0|1,0,1]=4 67 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 MCULE-4260473975 [1,0,0,0,1,0|1,0,1]=4 68 B15R1.9084 O=C(O)CC(=O)OCCC1=CC=CC=C1 MCULE-6115781203 [1,0,0,0,1,0|1,0,1]=4 69 B15R1.12292 O=C(O)C=CC(=O)NCCC1=CC=CO1 MCULE-6498017531 [1,0,0,0,1,0|1,0,0]=3 70 B15R1.120 C(=CC(=O)NC1=CC=CC(=C1)Br)C(=O)O MCULE-3163841143 [0,0,0,0,2,0|0,1,0]=3 71 B15R1.120 CC1=CC(=CC=C1)NC(=O)/C=C\C(=O)O MCULE-7187578103 [0,0,0,0,2,0|1,0,0]=3 72 B15R1.120 CC1=CC(=CC=C1)NC(=O)C=CC(=O)O MCULE-3212583756 [0,0,0,0,2,0|1,0,0]=3 73 B15R1.120 CC1=CC=CC(=C1)NC(=O)/C=C/C(=O)O MCULE-9364617775 [0,0,0,0,2,0|1,0,0]=3 74 B15R1.120 NC1=CC(=CC=C1)NC(=O)C=CC(=O)O MCULE-9381150191 [0,0,0,0,2,0|1,0,0]=3 75 B15R1.120 O=C(O)/C=C/C(=O)NC1=CC(=CC=C1)Cl MCULE-2037873078 [0,0,0,0,2,0|0,0,0]=2 76 B15R1.120 O=C(O)/C=C/C(=O)NC1=CC(=CC=C1)I MCULE-8576800893 [0,0,0,0,2,0|0,1,0]=3 77 B15R1.120 O=C(O)/C=C\C(=O)NC1=CC=CC(=C1)Cl MCULE-7546514298 [0,0,0,0,2,0|0,0,0]=2 78 B15R1.120 O=C(O)C=CC(=O)NC1=CC(=CC=C1)F MCULE-9854362741 [0,0,0,0,2,0|0,1,0]=3 79 B15R1.120 O=C(O)C=CC(=O)NC1=CC(=CC=C1)I MCULE-7315871661 [0,0,0,0,2,0|0,1,0]=3 80 B15R1.120 O=C(O)C=CC(=O)NC1=CC=CC(=C1)Cl MCULE-4519654936 [0,0,0,0,2,0|0,0,0]=2 81 B15R1.120 O=C(O)C=CC(=O)NC1=CC=CC(=C1)O MCULE-7951038169 [0,0,0,0,2,0|1,0,0]=3 82 B15R1.120 O=C(O)CCC(=O)NC1=CC(=CC=C1)Cl MCULE-3749976398 [0,0,0,0,2,0|0,0,2]=4 83 B15R1.120 O=C(O)CNC(=O)NC1=CC=CC(=C1)Cl MCULE-5945019271 [0,0,0,0,2,0|1,0,1]=4 84 B17R1.4992 O=C(O)C=CC(=O)NCCCC1=CC=CC=C1 MCULE-3394763921 [1,0,0,0,0,1|0,0,0]=2 85 B17R1.4992 O=C(O)CCC(=O)NCCCC1=CC=CC=C1 MCULE-1641338190 [1,0,0,0,0,1|0,0,2]=4 86 B17R1.16611 O=C(O)C=NNC(=S)NCCC1=CC=CC=C1 MCULE-6788242508 [1,0,0,0,0,1|1,1,0]=4 87 B17R1.16611 O=C(O)CCCC(=O)NCCC1=CC=CC=C1 MCULE-7995644220 [1,0,0,0,0,1|0,0,2]=4 88 B17R1.16611 O=C(O)COCC(=O)NCCC1=CC=CC=C1 MCULE-2322293211 [1,0,0,0,0,1|0,0,2]=4