0 B17R2.73242 COC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-2306678599 [0,0,0,0,0,0|0,0,2]=2 1 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCN(C)C MCULE-1161800007 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.73242 COC1=CC=C2NC=C(C2=C1)C=CC(=O)O MCULE-1667582656 [0,0,0,0,0,0|0,0,2]=2 4 B17R2.73242 COC1=CC=C2NC=C(C2=C1)C=C[N+](=O)[O-] MCULE-2466718683 [0,0,0,0,0,0|1,0,3]=4 5 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.73242 COC1=NN2C(=NN=C2CCC(=O)O)C=C1 MCULE-1725554954 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [1,0,0,0,0,0|2,0,0]=3 8 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.15551 CC1=CC2=C(C=C1)C=NN2CCC(=O)O MCULE-4087538354 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.15551 CC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-3649831392 [1,0,0,0,0,0|0,0,2]=3 11 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [1,0,0,0,0,0|1,0,0]=2 12 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [1,0,0,0,0,0|0,0,0]=1 13 B16R2.15551 O=C(O)/C=C/C1=CNC2=C1C=C(C=C2)Cl MCULE-8006257909 [1,0,0,0,0,0|1,0,2]=4 14 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [1,0,0,0,0,0|1,0,0]=2 15 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [1,0,0,0,0,0|1,0,0]=2 16 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [1,0,0,0,0,0|0,0,0]=1 17 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [1,0,0,0,0,0|1,0,0]=2 19 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Br MCULE-8839357052 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl MCULE-8962558505 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)F MCULE-6235603955 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.163638 COC1=CC2=C(C=C1)NC=C2CCCN MCULE-2167200158 [1,0,0,0,0,0|1,0,1]=3 23 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3192966428 [0,1,0,0,0,0|2,0,0]=3 24 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5506193077 [0,1,0,0,0,0|2,0,0]=3 25 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2671601746 [0,1,0,0,0,0|2,0,0]=3 26 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-8691474763 [0,1,0,0,0,0|2,0,0]=3 27 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8749450223 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8921805244 [0,1,0,0,0,0|2,0,1]=4 29 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(F)F MCULE-2134459845 [0,1,0,0,0,0|2,0,1]=4 30 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(F)F MCULE-2248436048 [0,1,0,0,0,0|2,0,1]=4 31 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-2815754631 [0,1,0,0,0,0|2,0,1]=4 32 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-6652456311 [0,1,0,0,0,0|2,0,1]=4 33 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(F)F MCULE-2452542145 [0,1,0,0,0,0|2,0,1]=4 34 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(F)F MCULE-3636846053 [0,1,0,0,0,0|2,0,1]=4 35 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-5728347170 [0,1,0,0,0,0|0,0,0]=1 36 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8098871559 [0,1,0,0,0,0|0,0,0]=1 37 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8897714296 [0,1,0,0,0,0|0,0,0]=1 38 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-3047279016 [0,1,0,0,0,0|0,0,0]=1 39 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-7513297188 [0,1,0,0,0,0|0,0,0]=1 40 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-2186418042 [0,1,0,0,0,0|0,0,0]=1 41 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7726461775 [0,1,0,0,0,0|0,0,0]=1 42 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1598609422 [0,1,0,0,0,0|0,0,0]=1 43 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-5668606434 [0,1,0,0,0,0|2,0,0]=3 44 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-6157538705 [0,1,0,0,0,0|2,0,0]=3 45 B18R2.120970 N#CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-3478591992 [0,1,0,0,0,0|2,0,0]=3 46 B18R2.120972 CCN(C)CCC1=CNC2=CC=C(C=C12)OC MCULE-7703394567 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.120972 COC(=O)CCC1=CNC2=C1C=C(C=C2)OC MCULE-6932210826 [0,1,0,0,0,0|0,0,0]=1 48 B18R2.173884 COC1=CC2=C(C=C1)SC(=[N+]2CCC(=O)O)C MCULE-1481024424 [0,1,0,0,0,0|2,0,0]=3 49 B18R2.173884 COC1=CC2=C(C=C1)SC(=[N+]2CCC(=O)O)C MCULE-8022461072 [0,1,0,0,0,0|2,0,0]=3 50 B18R2.173884 COC1=CC=C2NC(=C(C2=C1)CCN(C)C)C MCULE-9784764268 [0,1,0,0,0,0|3,0,0]=4 51 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-5107317842 [0,1,0,0,0,0|3,0,0]=4 52 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-7676087631 [0,1,0,0,0,0|3,0,0]=4 53 B18R2.1371375 O=C(O)CCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-7029699881 [0,1,0,0,0,0|2,0,0]=3 54 B16R1.2 COC1=CC=C(C=C1)CCCCCC(=O)O MCULE-2307018991 [0,0,1,0,0,0|1,0,2]=4 55 B16R1.2 COC1=CC=C(C=C1)COCCCC(=O)O MCULE-8311662807 [0,0,1,0,0,0|2,0,1]=4 56 B16R1.5381 CCN(CCC(=O)O)C1=CC(=CC=C1)OC MCULE-1117120478 [0,0,1,0,0,0|2,0,1]=4 57 B16R1.5681 COC1=CC(=C(C=C1)OC)CCCC(=O)O MCULE-2948489164 [0,0,1,0,0,0|1,0,2]=4 58 B16R1.5681 COC1=CC=C(C(=C1)OCCC(=O)O)OC MCULE-5401485289 [0,0,1,0,0,0|2,0,1]=4 59 B16R1.5681 COC1=CC=C(C(=C1)SCCC(=O)O)OC MCULE-9096147675 [0,0,1,0,0,0|2,0,1]=4 60 B16R1.20153 COC1=CC=C(C(=C1)C(=O)CCC(=O)O)O MCULE-9270898282 [0,0,1,0,0,0|2,0,0]=3 61 B18R3.172984 COC1=CC2=C(C=C1)NC3=C2CCC(=O)C3 MCULE-8083337091 [0,0,0,1,0,0|1,0,0]=2 62 B16R2.42567 CCC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-6001520163 [0,0,0,0,1,0|1,0,0]=2 63 B16R2.42567 CCC1=CC=C2OC=C(C2=C1)CC(=O)N MCULE-6682829780 [0,0,0,0,1,0|3,0,0]=4 64 B16R2.42567 CCC1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-5885758404 [0,0,0,0,1,0|2,0,0]=3 65 B16R2.42567 CCC1=CC=C2ON=C(C2=C1)CC(=O)O MCULE-8992668231 [0,0,0,0,1,0|3,0,0]=4 66 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-3391234212 [0,0,0,0,1,0|1,0,0]=2 67 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-9997753194 [0,0,0,0,1,0|0,0,0]=1 68 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CN(C)C MCULE-4301474786 [0,0,0,0,1,0|3,0,0]=4 69 B16R2.42567 COC1=CC2=C(C=C1)NN=C2CC(=O)O MCULE-3956463264 [0,0,0,0,1,0|1,0,0]=2 70 B16R2.42567 COC1=CC=C2CCC(=CC(=O)O)C2=C1 MCULE-1154309397 [0,0,0,0,1,0|1,0,2]=4 71 B16R2.42567 COC1=CC=C2CCC(C2=C1)CC(=O)O MCULE-7336795374 [0,0,0,0,1,0|1,0,2]=4 72 B16R2.42567 COC1=CC=C2NC=C(C2=C1)CC(C)N MCULE-9717144052 [0,0,0,0,1,0|2,0,1]=4 73 B16R2.42567 COC1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-4975434460 [0,0,0,0,1,0|1,0,0]=2 74 B16R2.42567 COC1=CC=C2OCC(C2=C1)CC(=O)O MCULE-6409799979 [0,0,0,0,1,0|1,0,2]=4 75 B16R2.42567 COC1=CC=C2ON=C(C2=C1)CC(=O)O MCULE-6525084029 [0,0,0,0,1,0|2,0,0]=3 76 B18R2.120971 CCC1=CC=C2SC=C(C2=C1)CCNC(=O)C MCULE-3758918719 [0,0,0,0,0,1|3,0,0]=4 77 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [0,0,0,0,0,1|0,0,0]=1 78 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [0,0,0,0,0,1|2,0,0]=3 79 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [0,0,0,0,0,1|2,0,0]=3 80 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,0,0,0,0,1|1,0,0]=2 81 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [0,0,0,0,0,1|1,0,0]=2 82 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [0,0,0,0,0,1|2,0,1]=4 83 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [0,0,0,0,0,1|2,0,1]=4 84 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-7990269939 [0,0,0,0,0,1|2,0,0]=3 85 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-8644135623 [0,0,0,0,0,1|2,0,0]=3 86 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [0,0,0,0,0,1|2,0,0]=3 87 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CNCC(C)C MCULE-2687251430 [0,0,0,0,0,1|2,0,1]=4 88 B15R1.65 COC1=CC(=CC=C1)C(=O)NCC(=O)O MCULE-7671357382 [1,0,1,0,0,0|2,0,0]=4 89 B15R1.65 COC1=CC=CC(=C1)C(=O)CCC(=O)O MCULE-7252306198 [1,0,1,0,0,0|1,0,0]=3 90 B15R1.65 COC1=CC=CC(=C1)N(C)CCC(=O)O MCULE-1748186949 [1,0,1,0,0,0|1,0,1]=4 91 B15R1.65 CSC1=CC=CC(=C1)C(=O)CCC(=O)O MCULE-4216544952 [1,0,1,0,0,0|1,1,0]=4 92 B15R1.1925 COC1=CC(=C(C=C1)Cl)NCCC(=O)O MCULE-2940425679 [1,0,1,0,0,0|2,0,0]=4 93 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O MCULE-9528888610 [1,0,1,0,0,0|2,0,0]=4 94 B15R1.8420 CC1=CC(=C(C=C1)O)C(=O)CCC(=O)O MCULE-3125812363 [1,0,1,0,0,0|2,0,0]=4 95 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [2,0,0,0,0,0|1,0,0]=3 96 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [2,0,0,0,0,0|2,0,0]=4 97 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [2,0,0,0,0,0|1,0,0]=3 98 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [2,0,0,0,0,0|2,0,0]=4 99 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [2,0,0,0,0,0|0,0,2]=4 100 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [2,0,0,0,0,0|0,0,2]=4 101 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [2,0,0,0,0,0|0,0,2]=4 102 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [2,0,0,0,0,0|0,0,0]=2 103 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [2,0,0,0,0,0|1,0,0]=3 104 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [2,0,0,0,0,0|1,0,0]=3 105 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [2,0,0,0,0,0|2,0,0]=4 106 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [2,0,0,0,0,0|0,0,2]=4 107 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [2,0,0,0,0,0|2,0,0]=4 108 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [2,0,0,0,0,0|1,0,1]=4 109 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [2,0,0,0,0,0|1,0,1]=4 110 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [2,0,0,0,0,0|1,0,1]=4 111 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [2,0,0,0,0,0|2,0,0]=4 112 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [2,0,0,0,0,0|1,0,0]=3 113 B15R2.17719 CC1=CC=C2NC=C(C2=C1)CCCN MCULE-4520003199 [2,0,0,0,0,0|1,0,1]=4 114 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-1823155663 [2,0,0,0,0,0|2,0,0]=4 115 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-2918354234 [2,0,0,0,0,0|2,0,0]=4 116 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)Br MCULE-1084149320 [2,0,0,0,0,0|1,0,1]=4 117 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)F MCULE-4395974853 [2,0,0,0,0,0|1,0,1]=4 118 B15R2.17719 OCCCC1=CNC2=CC=C(C=C12)Cl MCULE-2821445160 [2,0,0,0,0,0|1,0,1]=4 119 B15R2.17719 [NH3+]CCCC1=CNC2=C1C=C(C=C2)C MCULE-6315348922 [2,0,0,0,0,0|1,0,1]=4 120 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-5726784334 [2,0,0,0,0,0|2,0,0]=4 121 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-6781556401 [2,0,0,0,0,0|2,0,0]=4 122 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-1712832438 [2,0,0,0,0,0|1,0,1]=4 123 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-8923729584 [2,0,0,0,0,0|1,0,1]=4 124 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-1993241198 [2,0,0,0,0,0|2,0,0]=4 125 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-7285259767 [2,0,0,0,0,0|2,0,0]=4 126 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCN MCULE-1605989886 [2,0,0,0,0,0|1,0,0]=3 127 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCO MCULE-1066911922 [2,0,0,0,0,0|0,0,0]=2 128 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CC[NH3+] MCULE-7366022899 [2,0,0,0,0,0|1,0,0]=3 129 B15R2.54412 COC1=CC=C2NC=C(C2=C1)C=NO MCULE-8825350022 [2,0,0,0,0,0|1,0,1]=4 130 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CC#N MCULE-3095608504 [2,0,0,0,0,0|1,0,1]=4 131 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CCN MCULE-6141263456 [2,0,0,0,0,0|1,0,0]=3 132 B17R1.192 COC1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O MCULE-5654839650 [0,1,1,0,0,0|1,0,0]=3 133 B17R1.192 COC1=CC=C(C=C1)C=CC(=O)CCC(=O)O MCULE-1266465317 [0,1,1,0,0,0|1,0,0]=3 134 B17R1.192 COC1=CC=C(C=C1)C=CC(=O)NCC(=O)O MCULE-1973247837 [0,1,1,0,0,0|2,0,0]=4 135 B17R1.192 COC1=CC=C(C=C1)CNC(=O)CCC(=O)O MCULE-7693587957 [0,1,1,0,0,0|2,0,0]=4 136 B17R1.196 COC1=CC=C(C=C1)CC(=O)NCCC(=O)O MCULE-9890367376 [0,1,1,0,0,0|2,0,0]=4 137 B17R1.196 COC1=CC=C(C=C1)NC(=O)CCCC(=O)O MCULE-3551683770 [0,1,1,0,0,0|0,0,1]=3 138 B17R1.196 COC1=CC=C(C=C1)NC(=O)COCC(=O)O MCULE-1663012478 [0,1,1,0,0,0|1,0,1]=4 139 B17R1.196 COC1=CC=C(C=C1)NC(=O)CSCC(=O)O MCULE-3035185144 [0,1,1,0,0,0|1,0,1]=4 140 B17R1.196 COC1=CC=C(C=C1)NC(=O)NCCC(=O)O MCULE-8190052295 [0,1,1,0,0,0|1,0,0]=3 141 B17R1.6698 COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O MCULE-9749769636 [0,1,1,0,0,0|1,0,1]=4 142 B17R1.6696 COC(=O)CCC(=O)C1=CC(=CC=C1Cl)OC MCULE-6002277236 [0,1,1,0,0,0|2,0,0]=4 143 B17R2.25454 CC1=C(C2=C(C=C1)NC=C2CCC(=O)O)Br MCULE-1270561973 [1,1,0,0,0,0|0,0,0]=2 144 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)Cl)Cl MCULE-6805502081 [1,1,0,0,0,0|1,0,0]=3 145 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)I)F MCULE-9386818531 [1,1,0,0,0,0|1,0,0]=3 146 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [1,1,0,0,0,0|1,0,0]=3 147 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [1,1,0,0,0,0|0,0,0]=2 148 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [1,1,0,0,0,0|0,0,0]=2 149 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [1,1,0,0,0,0|0,0,0]=2 150 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [1,1,0,0,0,0|0,0,0]=2 151 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [1,1,0,0,0,0|0,0,0]=2 152 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [1,1,0,0,0,0|1,0,0]=3 153 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [1,1,0,0,0,0|1,0,0]=3 154 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [1,1,0,0,0,0|1,0,0]=3 155 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [1,1,0,0,0,0|1,0,0]=3 156 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [1,1,0,0,0,0|1,0,0]=3 157 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [1,1,0,0,0,0|1,0,0]=3 158 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [1,1,0,0,0,0|1,0,0]=3 159 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [1,1,0,0,0,0|1,0,0]=3 160 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [1,1,0,0,0,0|0,0,0]=2 161 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [1,1,0,0,0,0|1,0,0]=3 162 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [1,1,0,0,0,0|1,0,0]=3 163 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [1,1,0,0,0,0|1,0,0]=3 164 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [1,1,0,0,0,0|1,0,0]=3 165 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [1,1,0,0,0,0|1,0,0]=3 166 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [1,1,0,0,0,0|1,0,0]=3 167 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [1,1,0,0,0,0|1,0,0]=3 168 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [1,1,0,0,0,0|0,0,0]=2 169 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [1,1,0,0,0,0|1,0,0]=3 170 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [1,1,0,0,0,0|1,0,0]=3 171 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [1,1,0,0,0,0|1,0,0]=3 172 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [1,1,0,0,0,0|1,0,0]=3 173 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [1,1,0,0,0,0|0,0,0]=2 174 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [1,1,0,0,0,0|1,0,0]=3 175 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [1,1,0,0,0,0|1,0,0]=3 176 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [1,1,0,0,0,0|0,0,0]=2 177 B17R2.39006 CC1=C(C=C2C(=C1)N=CN2CCC(=O)O)C MCULE-3453549828 [1,1,0,0,0,0|1,0,1]=4 178 B17R2.39006 CC1=C(C=C2C(=C1)N=CN2CCC(=O)O)C MCULE-8580451885 [1,1,0,0,0,0|1,0,1]=4 179 B17R2.39006 CC1=CC2=C(C=C1Br)C(=CN2)CCC(=O)O MCULE-4153664078 [1,1,0,0,0,0|1,0,0]=3 180 B17R2.39006 O=C(O)CCC1=CNC2=C1C=C(C(=C2)F)I MCULE-8699537217 [1,1,0,0,0,0|1,0,0]=3 181 B17R2.150937 CC1=C(C2=CC(=CC=C2N1)Cl)CCC(=O)O MCULE-3334002871 [1,1,0,0,0,0|1,0,0]=3 182 B17R2.150937 CC1=CC2=C(C=C1)NC(=C2CCC(=O)N)C MCULE-2971610625 [1,1,0,0,0,0|1,0,0]=3 183 B17R2.150937 CC1=CC=C2NC(=C(C2=C1)CCC(=O)O)C MCULE-9716733030 [1,1,0,0,0,0|0,0,0]=2 184 B17R2.150937 CC1=CC=C2OC(=O)N(C2=C1)CCC(=O)O MCULE-9981812039 [1,1,0,0,0,0|2,0,0]=4 185 B17R2.150937 CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O MCULE-6803429016 [1,1,0,0,0,0|2,0,0]=4 186 B17R2.150937 CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O MCULE-9282332815 [1,1,0,0,0,0|2,0,0]=4 187 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-1962792611 [1,1,0,0,0,0|1,0,0]=3 188 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-8328181453 [1,1,0,0,0,0|1,0,0]=3 189 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)F MCULE-6542444313 [1,1,0,0,0,0|1,0,0]=3 190 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)I MCULE-2361592011 [1,1,0,0,0,0|1,0,0]=3 191 B17R2.468168 O=C(O)CCC1=CNC2=C1C=C(C=C2F)Br MCULE-6551498960 [1,1,0,0,0,0|1,0,0]=3 192 B17R2.73215 CCC(N)CC1=CNC2=C1C=C(C=C2)OC MCULE-2412259414 [1,1,0,0,0,0|1,0,1]=4 193 B17R2.333142 CCOC1=CC=C2NC=C(C2=C1)CCCN MCULE-2808789812 [1,1,0,0,0,0|1,0,1]=4 194 B17R2.333142 CCOC1=CC=C2NC=C(C2=C1)CCCN MCULE-4902145099 [1,1,0,0,0,0|1,0,1]=4 195 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-8558500420 [1,1,0,0,0,0|2,0,0]=4 196 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-9490685032 [1,1,0,0,0,0|2,0,0]=4 197 B17R2.1053574 C=CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2336307719 [1,1,0,0,0,0|1,0,0]=3 198 B17R2.1053574 C=CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-9634785554 [1,1,0,0,0,0|1,0,0]=3 199 B17R2.1053574 C=CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-1289134668 [1,1,0,0,0,0|1,0,0]=3 200 B17R2.1053574 C=CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-7993611208 [1,1,0,0,0,0|1,0,0]=3 201 B17R2.1053574 CCC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6068424202 [1,1,0,0,0,0|1,0,1]=4 202 B17R2.1053574 CCC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-8745650775 [1,1,0,0,0,0|1,0,1]=4 203 B17R2.1053574 CCC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5028664267 [1,1,0,0,0,0|1,0,1]=4 204 B17R2.1053574 CCC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6699949858 [1,1,0,0,0,0|1,0,1]=4 205 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC#N MCULE-2823374375 [1,1,0,0,0,0|1,0,1]=4 206 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC#N MCULE-9609519291 [1,1,0,0,0,0|1,0,1]=4 207 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCF MCULE-3510438503 [1,1,0,0,0,0|1,0,1]=4 208 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCF MCULE-6968818814 [1,1,0,0,0,0|1,0,1]=4 209 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCN MCULE-1030035136 [1,1,0,0,0,0|1,0,1]=4 210 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCN MCULE-5952976098 [1,1,0,0,0,0|1,0,1]=4 211 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCO MCULE-7428887864 [1,1,0,0,0,0|0,0,1]=3 212 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCO MCULE-7614046156 [1,1,0,0,0,0|0,0,1]=3 213 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC#N MCULE-3591455516 [1,1,0,0,0,0|1,0,1]=4 214 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC#N MCULE-9885509392 [1,1,0,0,0,0|1,0,1]=4 215 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCF MCULE-5951524536 [1,1,0,0,0,0|1,0,1]=4 216 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCF MCULE-6803525621 [1,1,0,0,0,0|1,0,1]=4 217 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCN MCULE-1143327935 [1,1,0,0,0,0|1,0,1]=4 218 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCN MCULE-1247365475 [1,1,0,0,0,0|1,0,1]=4 219 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCO MCULE-1946229483 [1,1,0,0,0,0|0,0,1]=3 220 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCO MCULE-5527835208 [1,1,0,0,0,0|0,0,1]=3 221 B17R2.1231010 COC1=CC2=C(C=C1)NC=C2CCNC=O MCULE-9732735780 [1,1,0,0,0,0|0,0,0]=2 222 B17R2.11798 CC1=C(C2=C(N1)C=CC(=C2)C#N)CC(=O)O MCULE-1105134951 [0,1,0,0,1,0|2,0,0]=4 223 B17R2.11798 CCC1=CC=C2NC(=C(C2=C1)CC(=O)O)C MCULE-4314054418 [0,1,0,0,1,0|1,0,0]=3 224 B17R2.11798 CCC1=CC=C2OC(=C(C2=C1)CC(=O)O)Br MCULE-8807263114 [0,1,0,0,1,0|2,0,0]=4 225 B17R2.11798 COC1=CC2=C(C=C1)CC(=C2CC(=O)O)C MCULE-3825371703 [0,1,0,0,1,0|1,0,0]=3 226 B17R2.11798 COC1=CC2=C(C=C1)NC(=C2CC(=O)N)C MCULE-4934848359 [0,1,0,0,1,0|1,0,0]=3 227 B17R2.11798 COC1=CC=C2NC(=C(C2=C1)CC(=O)O)C MCULE-1767701374 [0,1,0,0,1,0|0,0,0]=2 228 B17R2.11798 COC1=CC=C2NC(=O)C(C2=C1)CC(=O)O MCULE-1656021598 [0,1,0,0,1,0|0,0,1]=3 229 B17R2.27792 CCOC1=CC=C2NC=C(C2=C1)CC(=O)O MCULE-6446305960 [0,1,0,0,1,0|0,0,0]=2 230 B17R2.73241 COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)N MCULE-9245915712 [0,1,0,0,1,0|1,0,1]=4 231 B17R2.73241 COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)O MCULE-7254074039 [0,1,0,0,1,0|0,0,1]=3 232 B17R2.429181 COC1=CC=C2C(=C1)C(=CN2C)CC(=O)O MCULE-2062937113 [0,1,0,0,1,0|0,0,0]=2 233 B17R2.1146278 CC(C)C1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-5366209146 [0,1,0,0,1,0|2,0,0]=4 234 B17R2.1146278 O=C(O)CC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-7406354138 [0,1,0,0,1,0|2,0,0]=4 235 B19R2.1486576 COC1=CC=C2NC(=O)C(=CC2=C1)CCC(=O)O MCULE-6140124662 [0,1,0,0,0,1|0,0,0]=2 236 B19R2.1486576 COC1=CC=C2NC(=O)C(=CC2=C1)COC(=O)C MCULE-7958548037 [0,1,0,0,0,1|2,0,0]=4 237 B19R2.1486576 COC1=CC=C2NC(=O)C(CC2=C1)CCC(=O)O MCULE-7317236412 [0,1,0,0,0,1|0,0,1]=3 238 B19R2.2513094 COC1=CC=C2C(=CC(=NC2=C1)SCC(=O)O)C MCULE-2368594601 [0,1,0,0,0,1|2,0,0]=4 239 B19R2.1485957 COC1=CC2=C(C=C1)N=C(C=C2SCC(=O)O)C MCULE-9201786232 [0,1,0,0,0,1|1,0,1]=4 240 B19R2.1550163 COC1=CC=C2C(=O)C=CN(C2=C1)CCC(=O)O MCULE-6100293213 [0,1,0,0,0,1|2,0,0]=4 241 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C MCULE-6206385471 [0,1,0,0,0,1|1,0,1]=4 242 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)Br MCULE-8845379004 [0,1,0,0,0,1|1,0,0]=3 243 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)I MCULE-4835944162 [0,1,0,0,0,1|1,0,0]=3 244 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)O MCULE-9178007419 [0,1,0,0,0,1|1,0,0]=3 245 B19R2.1606290 COC1=CC2=C(C=C1Cl)NC=C2CCNC(=O)C MCULE-6641400206 [0,1,0,0,0,1|1,0,0]=3 246 B19R2.1606290 COC1=CC2=C(C=C1O)NC=C2CCNC(=O)C MCULE-7431346677 [0,1,0,0,0,1|1,0,0]=3 247 B19R2.1645485 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-9630822678 [0,1,0,0,0,1|1,0,0]=3 248 B19R2.1645485 CCC(=O)NCCC1=CNC2=CC=C(C=C12)OC MCULE-5127778268 [0,1,0,0,0,1|1,0,0]=3 249 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7977300330 [0,1,0,0,0,1|1,0,0]=3 250 B19R2.1645485 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7374328716 [0,1,0,0,0,1|1,1,0]=4 251 B19R2.1645485 COC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-3623816185 [0,1,0,0,0,1|0,0,0]=2 252 B19R2.1645485 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCl MCULE-6749760943 [0,1,0,0,0,1|1,0,0]=3 253 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-4462085234 [0,1,0,0,0,1|1,0,0]=3 254 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-8963075267 [0,1,0,0,0,1|1,0,0]=3 255 B19R2.1645503 COC(=O)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3035885478 [0,2,0,0,0,0|0,0,0]=2 256 B19R2.1645503 COC(=O)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3990123306 [0,2,0,0,0,0|0,0,0]=2 257 B19R2.1645503 COC(=O)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-1217679962 [0,2,0,0,0,0|0,0,0]=2 258 B19R2.1645503 COC(=O)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-4366451566 [0,2,0,0,0,0|0,0,0]=2 259 B19R2.195244 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)OC MCULE-1488716335 [0,2,0,0,0,0|0,0,0]=2 260 B19R2.1014412 NC(CC1=CNC2=C1C=C(C=C2)N(=O)=O)C(=O)O MCULE-3508356634 [0,2,0,0,0,0|2,0,0]=4 261 B19R2.1014412 N[C@@H](CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O MCULE-8570181299 [0,2,0,0,0,0|2,0,0]=4 262 B19R2.2094859 COC(=O)CCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-1313515121 [0,2,0,0,0,0|2,0,0]=4 263 B19R2.6651977 CCOC(=O)CCC1=CNC2=C1C=C(C=C2)OC MCULE-5074059906 [0,2,0,0,0,0|0,0,0]=2 264 B19R2.92065 CC1=C(C2=CC(=CC=C2N1)C(=O)O)CCC(=O)O MCULE-7876527340 [0,2,0,0,0,0|2,0,0]=4 265 B19R2.6029980 O=C(O)CCC1=CNC2=CC=C(C=C12)C(F)(F)F MCULE-4967536885 [0,2,0,0,0,0|2,0,0]=4 266 B17R2.47 COC1=CC=C(C=C1)NC2=CC(=O)CCC2 MCULE-1307556234 [0,0,1,1,0,0|1,0,1]=4 267 B17R2.12011 COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 MCULE-3300625222 [0,0,1,1,0,0|1,0,1]=4 268 B17R2.2671 COC1=CC(=CC=C1)C2=NOC(C2)C(=O)O MCULE-6933280492 [0,0,1,1,0,0|2,0,0]=4 269 B17R2.63264 COC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-3507515472 [0,0,1,1,0,0|2,0,0]=4 270 B17R2.63264 N#CC1=CC=CC2=C1NC=C2CCC(=O)O MCULE-1923398788 [0,0,1,1,0,0|2,0,0]=4 271 B17R2.64914 COC1=CC2=C(C=C1)CC(CC2=O)C(=O)O MCULE-9898772619 [0,0,1,1,0,0|2,0,0]=4 272 B17R3.19747 O=C1CCC2=C(C1)NC3=C2C=C(C=C3)F MCULE-7410192469 [1,0,0,1,0,0|2,0,0]=4 273 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 MCULE-5586483608 [1,0,0,1,0,0|1,0,1]=4 274 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-4067050427 [1,0,0,1,0,0|2,0,0]=4 275 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-7776419556 [1,0,0,1,0,0|2,0,0]=4 276 B17R3.94530 COC1=CC2=C(C=C1)NC3=C2CCC3=O MCULE-3820987749 [1,0,0,1,0,0|0,0,0]=2 277 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@@H]3CCN3 MCULE-1582381661 [1,0,0,1,0,0|1,0,1]=4 278 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@@H]3CCN3 MCULE-4314646453 [1,0,0,1,0,0|1,0,1]=4 279 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@H]3CCN3 MCULE-3666815485 [1,0,0,1,0,0|1,0,1]=4 280 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@H]3CCN3 MCULE-6477269596 [1,0,0,1,0,0|1,0,1]=4 281 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3CNC(=O)N3 MCULE-2474753942 [0,0,0,1,0,1|1,0,0]=3 282 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3COC(=O)N3 MCULE-3628488278 [0,0,0,1,0,1|1,0,0]=3 283 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3CNC(=O)N3 MCULE-1721372163 [0,0,0,1,0,1|1,0,0]=3 284 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3COC(=O)N3 MCULE-5378371302 [0,0,0,1,0,1|1,0,0]=3 285 B15R1.4 COC1=CC=C(C=C1)/C=N/OCC(=O)O MCULE-5015263256 [0,0,1,0,1,0|2,0,0]=4 286 B15R1.4 COC1=CC=C(C=C1)C=NOCC(=O)O MCULE-5776717885 [0,0,1,0,1,0|2,0,0]=4 287 B15R1.4 COC1=CC=C(C=C1)CCCCC(=O)O MCULE-3892750400 [0,0,1,0,1,0|0,0,2]=4 288 B15R1.4 COC1=CC=C(C=C1)CNCCC(=O)O MCULE-1595133752 [0,0,1,0,1,0|1,0,1]=4 289 B15R1.4 COC1=CC=C(C=C1)CNCCC(=O)O MCULE-3472109308 [0,0,1,0,1,0|1,0,1]=4 290 B15R1.4 COC1=CC=C(C=C1)COCCC(=O)O MCULE-6934206859 [0,0,1,0,1,0|1,0,1]=4 291 B15R1.4 COC1=CC=C(C=C1)CSCCC(=O)O MCULE-8704764951 [0,0,1,0,1,0|1,0,1]=4 292 B15R1.4 COC1=CC=C(C=C1)NCCCC(=O)O MCULE-8818714469 [0,0,1,0,1,0|0,0,1]=3 293 B15R1.4 COC1=CC=C(C=C1)OCCCC(=O)O MCULE-1319227472 [0,0,1,0,1,0|1,0,1]=4 294 B15R1.4 COC1=CC=C(C=C1)SCCCC(=O)O MCULE-6314818871 [0,0,1,0,1,0|1,0,1]=4 295 B15R1.1882 COC1=CC(=C(C=C1)OC)CCC(=O)O MCULE-2219928795 [0,0,1,0,1,0|1,0,1]=4 296 B15R1.11744 COC(=O)C1=C(NC=C1CCC(=O)O)C MCULE-1731596279 [0,0,1,0,1,0|1,0,1]=4 297 B15R2.9410 CC(=O)CC1=CNC2=CC=C(C=C12)Cl MCULE-9615898504 [1,0,0,0,1,0|2,0,0]=4 298 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)C MCULE-7721591080 [1,0,0,0,1,0|2,0,0]=4 299 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O MCULE-5038335178 [1,0,0,0,1,0|1,0,1]=4 300 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O MCULE-6937293644 [1,0,0,0,1,0|1,0,1]=4 301 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-9176085989 [1,0,0,0,1,0|1,0,0]=3 302 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-1757765395 [1,0,0,0,1,0|0,0,0]=2 303 B15R2.9410 CC1=CC2=C(C=C1)SC=C2CC(=O)O MCULE-3895461249 [1,0,0,0,1,0|1,0,0]=3 304 B15R2.9410 CC1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-1336420816 [1,0,0,0,1,0|1,0,0]=3 305 B15R2.9410 CC1=CC=C2ON=C(C2=C1)CC(=O)O MCULE-5267416177 [1,0,0,0,1,0|2,0,0]=4 306 B15R2.9410 CC1=CN2C(=CN=C2C=C1)CC(=O)O MCULE-9081062761 [1,0,0,0,1,0|1,0,1]=4 307 B15R2.9410 NC(=O)CC1=CNC2=C1C=C(C=C2)Br MCULE-9805573352 [1,0,0,0,1,0|2,0,0]=4 308 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Br MCULE-7197362248 [1,0,0,0,1,0|1,0,0]=3 309 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl MCULE-6310723285 [1,0,0,0,1,0|1,0,0]=3 310 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)F MCULE-2430731854 [1,0,0,0,1,0|1,0,0]=3 311 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(N=C2)Cl MCULE-2050967010 [1,0,0,0,1,0|2,0,0]=4 312 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(N=C2)Cl MCULE-4430392183 [1,0,0,0,1,0|2,0,0]=4 313 B15R2.9410 O=C(O)CC1=CNC2=CC=C(C=C12)O MCULE-5193831459 [1,0,0,0,1,0|0,0,0]=2 314 B15R2.9410 O=C(O)CC1=CNC2=NC=C(C=C12)Br MCULE-3986082996 [1,0,0,0,1,0|2,0,0]=4 315 B15R2.9410 O=C(O)CC1=COC2=C1C=C(C=C2)F MCULE-7256135626 [1,0,0,0,1,0|2,0,0]=4 316 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br MCULE-2948177095 [1,0,0,0,1,0|2,0,0]=4 317 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl MCULE-9754763413 [1,0,0,0,1,0|2,0,0]=4 318 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)Br MCULE-5745706231 [1,0,0,0,1,0|2,0,0]=4 319 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)Cl MCULE-9136773619 [1,0,0,0,1,0|2,0,0]=4 320 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)F MCULE-3457719895 [1,0,0,0,1,0|2,0,0]=4 321 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)O MCULE-5879500600 [1,0,0,0,1,0|1,0,0]=3 322 B15R2.9410 O=C(O)CC1=NOC2=CC=C(C=C12)O MCULE-4620797319 [1,0,0,0,1,0|2,0,0]=4 323 B15R2.9410 O=C([O-])CC1=CNC2=C1C=C(C=C2)O MCULE-2088824557 [1,0,0,0,1,0|0,0,1]=3 324 B15R2.3137 CCC1=CC2=C(C=C1)OC=C2C(=O)O MCULE-2043878089 [0,0,0,0,2,0|2,0,0]=4 325 B15R2.3137 CCC1=CC=C2NC=C(C2=N1)C(=O)O MCULE-5021027451 [0,0,0,0,2,0|2,0,0]=4 326 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)O MCULE-8485866109 [0,0,0,0,2,0|0,0,0]=2 327 B15R2.3137 COC1=CC2=C(C=C1)NN=C2C(=O)O MCULE-8094635282 [0,0,0,0,2,0|1,0,0]=3 328 B15R2.3137 COC1=CC2=C(C=C1)OC=C2C(=O)C MCULE-9681383458 [0,0,0,0,2,0|2,0,0]=4 329 B15R2.3137 COC1=CC2=C(C=C1)OC=C2C(=O)O MCULE-3386556434 [0,0,0,0,2,0|1,0,0]=3 330 B15R2.3137 COC1=CC2=C(C=N1)NC=C2C(=O)O MCULE-2122086175 [0,0,0,0,2,0|1,0,0]=3 331 B15R2.3137 COC1=CC2=C(C=NN2C=C1)C(=O)O MCULE-5131961234 [0,0,0,0,2,0|1,0,1]=4 332 B15R2.3137 COC1=CC2=C(N=C1)NC=C2C(=O)C MCULE-3210771052 [0,0,0,0,2,0|2,0,0]=4 333 B15R2.3137 COC1=CC=C2NC=C(C2=C1)C(=O)C MCULE-1242008294 [0,0,0,0,2,0|1,0,0]=3 334 B15R2.3137 COC1=CC=C2NC=C(C2=N1)C(=O)C MCULE-3019487996 [0,0,0,0,2,0|2,0,0]=4 335 B15R2.3137 COC1=CC=C2ON=C(C2=C1)C(=O)O MCULE-2874212353 [0,0,0,0,2,0|2,0,0]=4 336 B15R2.3137 COC1=CC=C2SC=C(C2=C1)C(=O)O MCULE-5524129647 [0,0,0,0,2,0|1,0,0]=3 337 B15R2.3137 COC1=CC=C2SN=C(C2=C1)C(=O)O MCULE-1390265164 [0,0,0,0,2,0|2,0,0]=4 338 B15R2.3137 COC1=CN2C(=CN=C2C=C1)C(=O)O MCULE-7267947122 [0,0,0,0,2,0|1,0,1]=4 339 B15R2.3137 COC1=CN=C2NC=C(C2=C1)C(=O)O MCULE-6154609357 [0,0,0,0,2,0|1,0,0]=3 340 B15R2.3137 COC1=CN=C2NN=C(C2=C1)C(=O)O MCULE-2728869647 [0,0,0,0,2,0|2,0,0]=4 341 B15R2.3137 COC1=NC2=C(C=C1)NC=C2C(=O)O MCULE-6776232703 [0,0,0,0,2,0|1,0,0]=3 342 B15R2.3137 N#CC1=CC2=C(C=C1)NC=C2C(=O)O MCULE-2835859246 [0,0,0,0,2,0|2,0,0]=4 343 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-3205582070 [0,0,1,0,0,1|2,0,0]=4 344 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-5184710694 [0,0,1,0,0,1|2,0,0]=4 345 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-6677661970 [1,0,0,0,0,1|1,0,1]=4 346 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-7244237657 [1,0,0,0,0,1|1,0,1]=4 347 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [1,0,0,0,0,1|1,0,0]=3 348 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [1,0,0,0,0,1|2,0,0]=4 349 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [1,0,0,0,0,1|2,0,0]=4 350 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [1,0,0,0,0,1|1,0,0]=3 351 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [1,0,0,0,0,1|2,0,0]=4 352 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [1,0,0,0,0,1|2,0,0]=4 353 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [1,0,0,0,0,1|1,0,0]=3 354 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [1,0,0,0,0,1|1,0,0]=3 355 B17R2.2764 COC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-9973201296 [0,0,0,0,1,1|0,0,0]=2 356 B17R2.2764 COC1=CC2=C(C=C1)N(C=C2)CCC(=O)O MCULE-1060838473 [0,0,0,0,1,1|2,0,0]=4 357 B17R2.2764 COC1=CC=C2C(=CNC2=C1)C=CC(=O)O MCULE-7458563451 [0,0,0,0,1,1|0,0,2]=4 358 B17R2.63388 COC1=CC=CC2=C1C(=CN2)CCC(=O)O MCULE-7350705022 [0,0,0,0,1,1|0,0,0]=2 359 B17R2.63388 COC1=CC=CC2=C1N(C=C2)CCC(=O)O MCULE-9581170521 [0,0,0,0,1,1|2,0,0]=4 360 B19R2.27143 COC1=CC2=C(C=C1)CCC=C2CCNC(=O)C MCULE-5452326392 [0,0,0,0,0,2|2,0,0]=4 361 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-5632636487 [0,0,0,0,0,2|2,0,0]=4 362 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-9855404431 [0,0,0,0,0,2|2,0,0]=4 363 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-1357672701 [0,0,0,0,0,2|2,0,0]=4 364 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-3838308303 [0,0,0,0,0,2|2,0,0]=4