0 B14R1.818 CC(C)CC(=O)\C=C\C1=CC=CC=C1 8084AL [0,0,0,0,0,0|2,0,2]=4 1 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 5803AJ [0,0,0,0,0,0|3,0,1]=4 2 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 3819AB [0,0,0,0,0,0|3,0,1]=4 3 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [1,0,0,0,0,0|2,0,1]=4 4 B13R1.42 CNCC(=O)NCC1=CC=CC=N1 2287AD [1,0,0,0,0,0|3,0,0]=4 5 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 2387AD [1,0,0,0,0,0|3,0,0]=4 6 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 1555AD [1,0,0,0,0,0|3,0,0]=4 7 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 6537AJ [1,0,0,0,0,0|1,0,1]=3 8 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 7132AA [1,0,0,0,0,0|0,0,2]=3 9 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5292AD [1,0,0,0,0,0|2,0,1]=4 10 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 9502AC [1,0,0,0,0,0|2,0,1]=4 11 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [1,0,0,0,0,0|2,0,1]=4 12 B15R1.741 CC(CI)NC(=O)OCC1=CC=CC=C1 3840AJ [0,1,0,0,0,0|2,0,1]=4 13 B15R1.741 C[C@@H](CI)NC(=O)OCC1=CC=CC=C1 9073AH [0,1,0,0,0,0|2,0,1]=4 14 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 W8774 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.3678 CC(C)C(N)C(=O)NCC1=CC=CC=C1 2882AD [0,1,0,0,0,0|2,0,1]=4 16 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(N)=O V4163 [0,1,0,0,0,0|2,0,1]=4 17 B15R2.27 O=C1CC(=O)CC(C2=CC=NC=C2)C1 1749AC [0,0,0,1,0,0|2,0,0]=3 18 B15R2.27 O=C1CC(=O)NC(C2=CC=CC=C2)C1 6459AJ [0,0,0,1,0,0|1,0,0]=2 19 B15R2.325 O=C1NC(=O)C(CC2=CC=CC=C2)N1 Q101 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [0,0,0,0,1,0|2,0,1]=4 21 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 5994AL [0,0,0,0,1,0|2,0,1]=4 22 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,0,0,0,1,0|1,0,1]=3 23 B13R1.351 CC(Br)C(=O)NCC1=CC=CC=C1 7679AE [0,0,0,0,1,0|2,0,1]=4 24 B15R1.5919 CC(O)C#CC(=O)OCC1=CC=CC=C1 4062AC [0,0,0,0,0,1|0,0,3]=4 25 B15R1.5919 O=C(O)CCC(=O)NCC1=CC=CC=C1 7413AE [0,0,0,0,0,1|2,0,0]=3 26 B15R1.5919 O=C(O)CCC(=O)NNC1=CC=CC=C1 4429AD [0,0,0,0,0,1|3,0,0]=4 27 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 4269AD [0,0,0,0,0,1|3,0,0]=4 28 B15R1.5919 O=C(O)CNC(=O)\C=C\C1=CC=CC=C1 2827AH [0,0,0,0,0,1|2,0,1]=4 29 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [2,0,0,0,0,0|2,0,0]=4 31 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [2,0,0,0,0,0|2,0,0]=4 32 B14R1.156 C=CCNC(=O)OCC1=CC=CC=C1 3156AL [1,1,0,0,0,0|0,0,1]=3 33 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [1,1,0,0,0,0|1,0,1]=4 34 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [1,1,0,0,0,0|0,0,1]=3 35 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1F 8322AL [0,1,0,0,1,0|1,0,0]=3 36 B14R1.425 CC(=O)N(O)C(=O)CC1=CC=CC=C1 7512AH [0,1,0,0,1,0|1,0,0]=3 37 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 4247AF [0,1,0,0,1,0|2,0,0]=4 38 B14R1.743 O=C(CBr)CC(=O)NC1=CC=CC=C1 B589 [0,1,0,0,1,0|1,0,0]=3 39 B14R1.5978 CC(=O)CC(=O)NC1=CC(Br)=CC=C1 6739AE [0,1,0,0,1,0|1,0,0]=3 40 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 0294AQ [0,1,0,0,1,0|1,0,1]=4 41 B16R1.1284 CN(CC1=CC=CC=C1)C(=O)CCC(=O)O 8182AE [0,1,0,0,0,1|2,0,0]=4 42 B16R1.1343 NCC(=O)CCC(=O)OCC1=CC=CC=C1 5785AH [0,1,0,0,0,1|0,0,0]=2 43 B16R1.4122 C=C(CC(=O)OCC1=CC=CC=C1)C(=O)O 4174AE [0,1,0,0,0,1|1,0,0]=3 44 B16R1.4122 CC(NC(=O)OCC1=CC=CC=C1)C(N)=O 5269AJ [0,1,0,0,0,1|1,0,0]=3 45 B16R1.6944 CN(CC(N)=O)C(=O)OCC1=CC=CC=C1 V4392 [0,1,0,0,0,1|1,0,0]=3 46 B16R1.850 COC(=O)CC(=O)\C=C\C1=CC=C(F)C=C1 7097AA [0,2,0,0,0,0|1,0,1]=4 47 B16R1.1672 CC[C@@H](C)[C@@H](N)C(=O)OCC1=CC=CC=C1 3449AL [0,2,0,0,0,0|1,0,1]=4 48 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [1,0,0,1,0,0|1,0,1]=4 49 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [1,0,0,1,0,0|1,0,1]=4 50 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [1,0,0,1,0,0|2,0,0]=4 51 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 9687AH [1,0,0,1,0,0|1,0,1]=4 52 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [1,0,0,1,0,0|1,0,1]=4 53 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)N1 4729AC [1,0,0,1,0,0|2,0,0]=4 54 B14R2.642 CC(=O)N1C(=O)OC2=CC=CC=C21 L468 [0,0,0,1,1,0|1,0,0]=3 55 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 W7417 [0,0,0,1,1,0|2,0,0]=4 56 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 2328AC [0,0,0,1,1,0|2,0,0]=4 57 B16R2.333 O=C(O)CN1C(=O)CCC2=CC=CC=C21 2666AC [0,0,0,1,0,1|2,0,0]=4 58 B16R2.2905 O=C1CC(C(=O)O)C(C2=CC=CC=C2)C1 2906AJ [0,0,0,1,0,1|2,0,0]=4 59 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 W9644 [0,0,0,1,0,1|1,0,1]=4 60 B16R2.2822 O=C1CC(=O)CN(CC2=CC=CC=C2)C1 7038AB [0,0,0,1,0,1|1,0,0]=3 61 B16R2.5963 O=C(O)C1C(=O)NCC1C2=CC=CC=C2 9610AE [0,0,0,1,0,1|2,0,0]=4 62 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2Cl)C1 5570AE [0,1,0,1,0,0|1,0,0]=3 63 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2F)C1 Y5145 [0,1,0,1,0,0|1,0,0]=3 64 B16R2.312 O=C1CCN(CC2=CC=CC=C2)C(=O)C1 9724AH [0,1,0,1,0,0|1,0,0]=3 65 B16R2.79341 CC1=CC=C(C2CC(=O)CC(=O)C2)C=C1 6789AE [0,1,0,1,0,0|1,0,0]=3 66 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(Br)C=C2)C1 8079AD [0,1,0,1,0,0|1,0,0]=3 67 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(O)C=C2)C1 3233AF [0,1,0,1,0,0|1,0,0]=3 68 B16R2.79341 O=C1CC(C2=CC=C(Br)C=C2)CC(=O)N1 2485AJ [0,1,0,1,0,0|2,0,0]=4 69 B16R2.79341 O=C1CC(C2=CC=C(Cl)C=C2)CC(=O)N1 3059AC [0,1,0,1,0,0|2,0,0]=4 70 B16R2.79341 O=C1CC(C2=CC=C(Cl)C=C2)CC(=O)O1 7706AB [0,1,0,1,0,0|2,0,0]=4 71 B16R2.80704 NC1=CC=CC(C2CC(=O)CC(=O)C2)=C1 1207AD [0,1,0,1,0,0|1,0,0]=3 72 B16R2.80704 O=C1CC(=O)CC(C2=CC=CC(Br)=C2)C1 7093AA [0,1,0,1,0,0|1,0,0]=3 73 B16R2.80704 O=C1CC(=O)CC(C2=CC=CC(Cl)=C2)C1 Y5471 [0,1,0,1,0,0|1,0,0]=3 74 B16R2.80704 O=C1CC(C2=CC(Br)=CC=C2)CC(=O)N1 2462AJ [0,1,0,1,0,0|2,0,0]=4 75 B16R2.80704 O=C1CC(C2=CC=CC(F)=C2)CC(=O)N1 W9796 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [1,0,0,0,1,0|1,0,1]=4 77 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 E406 [0,0,0,0,2,0|1,0,0]=3 78 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,0,0,0,2,0|1,0,1]=4 79 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2901AB [0,0,0,0,2,0|1,0,1]=4 80 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,0,0,2,0|2,0,0]=4 81 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [0,0,0,0,2,0|1,0,0]=3 82 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,0,0,0,2,0|2,0,0]=4 83 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,0,0,0,2,0|2,0,0]=4 84 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 1251AQ [0,0,0,0,0,2|1,0,1]=4 85 B16R1.18213 O=C(O)CCC(=O)OCCC1=CC=CC=C1 4791AD [0,0,0,0,0,2|1,0,0]=3