0 B14R1.818 N=C(N)NC(=O)OCC1=CC=CC=C1 C93432 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86825 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.42 C\C=C/C(=O)OCC1=CC=CC=C1 W13679 [1,0,0,0,0,0|0,0,1]=2 3 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W15659 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W18720 [1,0,0,0,0,0|0,0,1]=2 5 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 31544 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [1,0,0,0,0,0|0,0,3]=4 7 B13R1.337 O=C(O)\C=C\OCC1=CC=CC=C1 AC8498 [1,0,0,0,0,0|1,0,1]=3 8 B15R1.741 CSC(=N)NC(=O)OCC1=CC=CC=C1 D86333 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.741 C[C@@H](C#N)NC(=O)OCC1=CC=CC=C1 C90334 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.741 C[C@@H](C=O)NC(=O)OCC1=CC=CC=C1 F13079 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11641 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 W13061 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 W19059 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.741 O=C(CCl)CC(=O)OCC1=CC=CC=C1 80272 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.3465 O=C([N-]S(=O)(=O)F)OCC1=CC=CC=C1 AT25819 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.27 O=C1CC(=O)CC(C2=CC=NC=C2)C1 F52290 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.325 N[C@H]1CC(=O)N(CC2=CC=CC=C2)C1 20344 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.325 O=C1C[C@H](CC2=CC=CC=C2)C(=O)O1 F50342 [0,0,0,1,0,0|2,0,0]=3 19 B15R2.325 O=C1NC(=O)[C@H](CC2=CC=CC=C2)N1 98525 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.325 O=C1NC(=O)[C@H](CC2=CC=CC=C2)S1 D73573 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 AC6033 [0,0,0,1,0,0|3,0,0]=4 22 B15R2.505 C[C@@H]1C[C@@H]1C(=O)OCC2=CC=CC=C2 W13680 [0,0,0,1,0,0|1,0,1]=3 23 B15R2.505 C[C@H]1C[C@@H]1C(=O)OCC2=CC=CC=C2 W15895 [0,0,0,1,0,0|1,0,1]=3 24 B15R2.24494 O=C(C=C1CC1)OCC2=CC=CC=C2 97890 [0,0,0,1,0,0|1,0,1]=3 25 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,0,0,0,1,0|0,0,0]=1 26 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,0,0,0,1,0|2,0,0]=3 27 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [0,0,0,0,1,0|0,0,0]=1 28 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 D86017 [0,0,0,0,1,0|1,0,1]=3 29 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.351 NC(=S)C(=O)OCC1=CC=CC=C1 78147 [0,0,0,0,1,0|1,1,0]=3 31 B15R1.5919 CC(=O)ONC(=O)OCC1=CC=CC=C1 T70457 [0,0,0,0,0,1|1,0,0]=2 32 B15R1.5919 N=C(N)CNC(=O)OCC1=CC=CC=C1 82472 [0,0,0,0,0,1|2,0,0]=3 33 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 87281 [0,0,0,0,0,1|1,1,0]=3 34 B15R1.5919 O=C(O)CCC(=O)NCC1=CN=CC=C1 71288 [0,0,0,0,0,1|3,0,0]=4 35 B15R1.9084 O=C(O)CC(=O)COCC1=CC=CC=C1 AC6578 [0,0,0,0,0,1|1,0,0]=2 36 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [2,0,0,0,0,0|1,0,1]=4 37 B14R1.756 O=C(OCC1=CC=CC=C1)[C@@H](O)CO 22998 [1,1,0,0,0,0|0,0,2]=4 38 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 O11889 [1,1,0,0,0,0|0,0,1]=3 39 B14R1.3331 C[S@](=N)(=O)CCOCC1=CC=CC=C1 C14843 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 D76397 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.6449 O=C([O-])[C@@H](Cl)COCC1=CC=CC=C1 F20745 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [0,1,0,0,1,0|1,0,1]=4 43 B14R1.679 C[C@H](N)C(=O)OCC1=CC=C(Cl)C=C1 F52318 [0,1,0,0,1,0|1,0,1]=4 44 B16R1.1343 O=C(CBr)CCC(=O)OCC1=CC=CC=C1 12894 [0,1,0,0,0,1|0,0,0]=2 45 B16R1.1343 O=C(CO)OCC(=O)OCC1=CC=CC=C1 13043 [0,1,0,0,0,1|0,0,0]=2 46 B16R1.4122 C[C@H](NC(=O)OCC1=CC=CC=C1)C(N)=O AC5728 [0,1,0,0,0,1|1,0,0]=3 47 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 H10543 [0,1,0,0,0,1|1,0,0]=3 48 B16R1.22556 CC(C)(O)CNC(=O)OCC1=CC=CC=C1 89967 [0,1,0,0,0,1|0,0,2]=4 49 B16R1.11405 CC(C)CC(=O)OCC1=CC(=O)C=CC1=O 29045 [0,2,0,0,0,0|1,0,1]=4 50 B16R1.1570 COCC(=O)CC(=O)OCC1=CC=CC=C1 AT17634 [0,2,0,0,0,0|0,0,0]=2 51 B16R1.1570 C[C@@H](CC=O)NC(=O)OCC1=CC=CC=C1 H11565 [0,2,0,0,0,0|1,0,1]=4 52 B16R1.12266 O=C(O)C(F)(F)C(=O)NCC1=CC=CC=C1 C93222 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)N1 C15767 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 AC8143 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.598 O=C1N[C@H](C2=CC=CC=C2)C(=O)O1 AC5944 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.598 O=C1N[C@H](C2=CC=CC=C2)C(=O)O1 AC5945 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.249 O=C1CC(=O)CC(C2=CC=CS2)C1 I11737 [0,0,0,1,1,0|2,0,0]=4 59 B16R2.132 O=C1CCN(OCC2=CC=CC=C2)CC1 92113 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 31403 [0,0,0,1,0,1|1,0,1]=4 61 B16R2.27150 CC(=O)C1CC(OCC2=CC=CC=C2)C1 F52215 [0,0,0,1,0,1|1,0,1]=4 62 B16R2.44153 O=C(CNC1CC1)OCC2=CC=CC=C2 D87316 [0,0,0,1,0,1|1,0,1]=4 63 B16R2.5963 CC(=O)N1C(=O)OC[C@H]1C2=CC=CC=C2 68765 [0,0,0,1,0,1|1,0,0]=3 64 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)CCO1 AC3965 [0,1,0,1,0,0|1,0,1]=4 65 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(F)C=C2)C1 C15986 [0,1,0,1,0,0|1,0,0]=3 66 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,0,0,0,2,0|1,0,1]=4 71 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,0,0,0,2,0|1,0,0]=3 72 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 91196 [1,0,0,0,0,1|1,0,1]=4