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 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 3024AC [1,0,0,0,0,0|1,0,1]=3 2 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [1,0,0,0,0,0|2,0,1]=4 3 B13R1.42 CNCC(=O)NCC1=CC=CC=N1 2287AD [1,0,0,0,0,0|3,0,0]=4 4 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 2387AD [1,0,0,0,0,0|3,0,0]=4 5 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 1555AD [1,0,0,0,0,0|3,0,0]=4 6 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 3146AL [1,0,0,0,0,0|2,0,1]=4 7 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5292AD [1,0,0,0,0,0|2,0,1]=4 8 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 9502AC [1,0,0,0,0,0|2,0,1]=4 9 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [1,0,0,0,0,0|2,0,1]=4 10 B15R1.741 CC(CI)NC(=O)OCC1=CC=CC=C1 3840AJ [0,1,0,0,0,0|2,0,1]=4 11 B15R1.741 COC(=O)CC(C)NCC1=CC=CC=C1 3537AL [0,1,0,0,0,0|2,0,1]=4 12 B15R1.741 C[C@@H](CI)NC(=O)OCC1=CC=CC=C1 9073AH [0,1,0,0,0,0|2,0,1]=4 13 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 W8774 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.3678 CC(C)C(N)C(=O)NCC1=CC=CC=C1 2882AD [0,1,0,0,0,0|2,0,1]=4 15 B15R2.27 O=C1CC(=O)CC(C2=CC=NC=C2)C1 1749AC [0,0,0,1,0,0|2,0,0]=3 16 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 6553AB [0,0,0,1,0,0|2,0,1]=4 17 B15R2.325 O=C1NC(=O)C(CC2=CC=CC=C2)N1 Q101 [0,0,0,1,0,0|3,0,0]=4 18 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [0,0,0,0,1,0|2,0,1]=4 19 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,0,0,0,1,0|3,0,0]=4 20 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,0,0,0,1,0|1,0,1]=3 21 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O 3119AH [0,0,0,0,1,0|2,0,1]=4 22 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 8202AD [0,0,0,0,1,0|2,0,1]=4 23 B15R1.5919 CC(=O)ONC(=O)OCC1=CC=CC=C1 8698AL [0,0,0,0,0,1|1,0,0]=2 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 N=C(N)CNC(=O)OCC1=CC=CC=C1 0932AP [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)\C=C\C1=CC=CC=C1 2827AH [0,0,0,0,0,1|2,0,1]=4 28 B15R1.5919 O=C(O)\C=C/C(=O)NCC1=CC=CC=C1 3708AL [0,0,0,0,0,1|2,0,1]=4 29 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 5988AF [0,0,0,0,0,1|1,0,0]=2 30 B12R1.8 O=CCCOCC1=CC=CC=C1 Y8137 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [2,0,0,0,0,0|0,0,2]=4 32 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [2,0,0,0,0,0|2,0,0]=4 34 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 3559AA [1,1,0,0,0,0|0,0,2]=4 35 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [1,1,0,0,0,0|1,0,1]=4 36 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [1,1,0,0,0,0|0,0,1]=3 37 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 Y7358 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.425 CC(=O)N(O)C(=O)CC1=CC=CC=C1 7512AH [0,1,0,0,1,0|1,0,0]=3 39 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 4247AF [0,1,0,0,1,0|2,0,0]=4 40 B14R1.743 O=C(CBr)CC(=O)NC1=CC=CC=C1 B589 [0,1,0,0,1,0|1,0,0]=3 41 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 0294AQ [0,1,0,0,1,0|1,0,1]=4 42 B16R1.1284 CN(CC1=CC=CC=C1)C(=O)CCC(=O)O 8182AE [0,1,0,0,0,1|2,0,0]=4 43 B16R1.1284 NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1 7219AH [0,1,0,0,0,1|2,0,0]=4 44 B16R1.1343 NCC(=O)CCC(=O)OCC1=CC=CC=C1 5785AH [0,1,0,0,0,1|0,0,0]=2 45 B16R1.4122 C=C(CC(=O)OCC1=CC=CC=C1)C(=O)O 4174AE [0,1,0,0,0,1|1,0,0]=3 46 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCC1=CC=CC=C1 9261AA [0,1,0,0,0,1|1,0,1]=4 47 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 48 B16R1.1570 CCOC(=O)CC(=O)NCC1=CC=CC=C1 5816AL [0,2,0,0,0,0|1,0,0]=3 49 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 50 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [1,0,0,1,0,0|1,0,1]=4 51 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [1,0,0,1,0,0|1,0,1]=4 52 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [1,0,0,1,0,0|1,0,1]=4 53 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [1,0,0,1,0,0|1,0,1]=4 54 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [1,0,0,1,0,0|2,0,0]=4 55 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 8160AC [1,0,0,1,0,0|2,0,0]=4 56 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 9687AH [1,0,0,1,0,0|1,0,1]=4 57 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [1,0,0,1,0,0|1,0,1]=4 58 B14R2.642 CC(=O)N1C(=O)OC2=CC=CC=C21 L468 [0,0,0,1,1,0|1,0,0]=3 59 B14R2.249 O=C1CC(=O)CC(C2=CC=CO2)C1 5927AD [0,0,0,1,1,0|2,0,0]=4 60 B16R2.317 O=C1CNC(=O)[C@H](CC2=CC=CC=C2)N1 Z5576 [0,0,0,1,0,1|2,0,0]=4 61 B16R2.333 O=C(O)CN1C(=O)CCC2=CC=CC=C21 2666AC [0,0,0,1,0,1|2,0,0]=4 62 B16R2.2905 O=C1CC(C(=O)O)C(C2=CC=CC=C2)C1 2906AJ [0,0,0,1,0,1|2,0,0]=4 63 B16R2.2822 O=C1CC(=O)CN(CC2=CC=CC=C2)C1 7038AB [0,0,0,1,0,1|1,0,0]=3 64 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2Cl)C1 5570AE [0,1,0,1,0,0|1,0,0]=3 65 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2F)C1 Y5145 [0,1,0,1,0,0|1,0,0]=3 66 B16R2.312 O=C1CCN(CC2=CC=CC=C2)C(=O)C1 9724AH [0,1,0,1,0,0|1,0,0]=3 67 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(Br)C=C2)C1 8079AD [0,1,0,1,0,0|1,0,0]=3 68 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(O)C=C2)C1 3233AF [0,1,0,1,0,0|1,0,0]=3 69 B16R2.80704 NC1=CC=CC(C2CC(=O)CC(=O)C2)=C1 1207AD [0,1,0,1,0,0|1,0,0]=3 70 B16R2.80704 O=C1CC(=O)CC(C2=CC=CC(Br)=C2)C1 7093AA [0,1,0,1,0,0|1,0,0]=3 71 B12R1.32 CNCC(=O)NC1=CC=CC=C1 W7306 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,0,0,2,0|2,0,0]=4 73 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,0,0,0,2,0|2,0,0]=4 74 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,0,0,0,2,0|2,0,0]=4 75 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 1251AQ [0,0,0,0,0,2|1,0,1]=4 76 B16R1.18213 O=C(O)CCC(=O)OCCC1=CC=CC=C1 4791AD [0,0,0,0,0,2|1,0,0]=3