0 B14R1.818 CC(N)CC(=O)OCC1=CC=CC=C1 P41306 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 K10831 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 P42873 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.42 NCCC(=O)NCC1=CC=CC=N1 Q58249 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.337 CC(C)CCNCC1=CC=CC=C1 P38042 [1,0,0,0,0,0|1,0,1]=3 7 B15R1.741 CC(CN)NC(=O)OCC1=CC=CC=C1 P42445 [0,1,0,0,0,0|1,0,0]=2 8 B15R1.741 CCC(=O)CC(=O)OCC1=CC=CC=C1 P37888 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.741 COC(=O)CC(=O)CCC1=CC=CC=C1 P38937 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 P38293 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 P38655 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.741 O=C(CCl)CC(=O)OCC1=CC=CC=C1 P38798 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.870 CC(C)NC(=O)CCC1=CC=C(N)C=C1 P43016 [0,1,0,0,0,0|2,0,0]=3 14 B15R1.3465 CC(C)(C)OC(=O)CNC1=CC=CC=C1 M23295 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.283 N[C@@H]1CC[C@@H](OCC2=CC=CC=C2)C1 Q57025 [0,0,0,1,0,0|2,0,1]=4 16 B15R2.283 N[C@H]1CC[C@@H](OCC2=CC=CC=C2)C1 Q57024 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.283 OC1CCC(OCC2=CC=CC=C2)C1 L13018 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.283 O[C@@H]1CC[C@@H](OCC2=CC=CC=C2)C1 P49901 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.283 O[C@@H]1CC[C@H](OCC2=CC=CC=C2)C1 O32955 [0,0,0,1,0,0|2,0,1]=4 20 B15R2.325 C[C@H]1CC(SC2=CC=CC=C2)C(=O)O1 M23896 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 O34433 [0,0,0,1,0,0|2,0,0]=3 22 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 P51350 [0,0,0,1,0,0|2,0,0]=3 23 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,0,0,0,1,0|1,0,1]=3 24 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,0,0,0,1,0|2,0,1]=4 27 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 Q65636 [0,0,0,0,1,0|1,0,0]=2 28 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 P36350 [0,0,0,0,1,0|1,0,0]=2 29 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 P37360 [0,0,0,0,1,0|1,0,0]=2 30 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 P37886 [0,0,0,0,0,1|2,0,1]=4 31 B12R1.8 CNCCOCC1=CC=CC=C1 P36478 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.8 CNCCOCC1=CC=CC=C1 P36772 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.8 NCCCOCC1=CC=CC=C1 P40697 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [2,0,0,0,0,0|2,0,0]=4 35 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 Q65906 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 P37294 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 P38711 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 P40680 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 P36476 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.32 CCOC(=O)CCC1=CC=CC(N)=C1 P34745 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.156 C\C=C\NC(=O)OCC1=CC=CC=C1 M24039 [1,1,0,0,0,0|0,0,2]=4 42 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 P38565 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 H-8927 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.156 [N-]=[N+]=NCC(=O)OCC1=CC=CC=C1 P40543 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 P36474 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 P36473 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.337 CC(C)NC(=O)OC1=C(F)C=CC=C1 N26830 [0,1,0,0,1,0|1,0,0]=3 49 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [0,1,0,0,1,0|1,0,1]=4 50 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 P43023 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 P37145 [0,1,0,0,1,0|0,0,0]=2 52 B16R1.1343 O=C(NC[C@@H](O)CO)OCC1=CC=CC=C1 Q53512 [0,1,0,0,0,1|1,0,0]=3 53 B16R1.1343 O=C(NC[C@H](O)CO)OCC1=CC=CC=C1 Q53513 [0,1,0,0,0,1|1,0,0]=3 54 B16R1.12547 CC(C)(C)OC(=O)CNCC1=CC=CC=C1 P36181 [0,1,0,0,0,1|2,0,0]=4 55 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1N P40812 [0,2,0,0,0,0|2,0,0]=4 56 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1O P38366 [0,2,0,0,0,0|2,0,0]=4 57 B16R1.12572 CC(C)(C)OC(=O)C(=O)CC1=CC=CC=C1 K13425 [0,2,0,0,0,0|2,0,0]=4 58 B16R1.1570 COCC(=O)CC(=O)OCC1=CC=CC=C1 P39432 [0,2,0,0,0,0|1,0,1]=4 59 B16R1.1570 C[C@H](CCO)NC(=O)OCC1=CC=CC=C1 P35674 [0,2,0,0,0,0|1,0,0]=3 60 B16R1.7289 CCC(CN)NC(=O)OCC1=CC=CC=C1 P42444 [0,2,0,0,0,0|1,0,0]=3 61 B16R1.7289 CCC(CO)NC(=O)OCC1=CC=CC=C1 P41488 [0,2,0,0,0,0|1,0,0]=3 62 B16R1.7289 CC[C@@H](CO)NC(=O)OCC1=CC=CC=C1 P39576 [0,2,0,0,0,0|1,0,0]=3 63 B16R1.7289 CC[C@H](CN)NC(=O)OCC1=CC=CC=C1 P42393 [0,2,0,0,0,0|1,0,0]=3 64 B16R1.7289 CC[C@H](CO)NC(=O)OCC1=CC=CC=C1 P36375 [0,2,0,0,0,0|1,0,0]=3 65 B16R1.10317 CC(C)(CN)NC(=O)OCC1=CC=CC=C1 P35809 [0,2,0,0,0,0|1,0,0]=3 66 B16R1.10317 CC(C)(CO)NC(=O)OCC1=CC=CC=C1 P36998 [0,2,0,0,0,0|1,0,0]=3 67 B16R1.1040 CC(C)(C)OC(=O)CCC1=CC=C(N)C=C1 P42903 [0,2,0,0,0,0|2,0,0]=4 68 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 P36587 [0,2,0,0,0,0|2,0,0]=4 69 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(I)C=C1 P40219 [0,2,0,0,0,0|2,0,0]=4 70 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 O32303 [0,2,0,0,0,0|2,0,0]=4 71 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(O)C=C1 M22812 [0,2,0,0,0,0|2,0,0]=4 72 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(N)=CC=C1 P41151 [0,2,0,0,0,0|2,0,0]=4 73 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC=CC(Br)=C1 P40584 [0,2,0,0,0,0|2,0,0]=4 74 B14R2.21 O=C1CCCC(C2=CC=CN=C2)C1 O29436 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 O29437 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.642 CC(C)C1C(=O)NC2=C1C=CC=C2 P51026 [0,0,0,1,1,0|1,0,0]=3 78 B14R2.642 CC(C)N1C(=O)CC2=C1N=CC=C2 Q54331 [0,0,0,1,1,0|2,0,0]=4 79 B14R2.4893 CC1(C)CN(CC2=CC=CC=C2)C1 P48679 [0,0,0,1,1,0|2,0,0]=4 80 B16R2.317 NC1CCC(=O)N(CC2=CC=CC=C2)C1 L21430 [0,0,0,1,0,1|2,0,0]=4 81 B16R2.317 N[C@H]1CCC(=O)N(CC2=CC=CC=C2)C1 Q55741 [0,0,0,1,0,1|2,0,0]=4 82 B16R2.3322 C=C1CN(C(=O)OCC2=CC=CC=C2)C1 P44805 [0,0,0,1,0,1|0,0,2]=4 83 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 C-2234 [0,0,0,1,0,1|1,0,0]=3 84 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 G-5707 [0,0,0,1,0,1|1,0,0]=3 85 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 F-4706 [0,0,0,1,0,1|1,0,0]=3 86 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(I)C2 C-2233 [0,0,0,1,0,1|1,0,0]=3 87 B16R2.3322 O=C(OCC1=CC=CC=C1)[C@H]2C[C@@H](O)C2 L14444 [0,0,0,1,0,1|1,0,0]=3 88 B16R2.3322 O=C(OCC1=CC=CC=C1)[C@H]2C[C@H](O)C2 O33387 [0,0,0,1,0,1|1,0,0]=3 89 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)C1 G-5271 [0,0,0,1,0,1|1,0,1]=4 90 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)N1 P44989 [0,0,0,1,0,1|1,0,1]=4 91 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 C-3547 [0,0,0,1,0,1|1,0,1]=4 92 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 I-9929 [0,0,0,1,0,1|1,0,1]=4 93 B16R2.3322 O=C1C[C@H](C(=O)OCC2=CC=CC=C2)N1 I-9930 [0,0,0,1,0,1|1,0,1]=4 94 B16R2.2903 CC1(C)CC(=O)CN1CC2=CC=CC=C2 Q59340 [0,0,0,1,0,1|1,0,0]=3 95 B16R2.4064 NC1CC(=O)N(CC2=C(Cl)C=CC=C2)C1 L13678 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.312 NC1CCN(CC2=CC=CC=C2)C(=O)C1 L21550 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 O33496 [0,1,0,1,0,0|1,0,0]=3 98 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 P50519 [0,1,0,1,0,0|1,0,0]=3 99 B16R2.2400 NCC1CC(=O)N(CC2=CC=CC=C2)C1 Q52116 [0,1,0,1,0,0|1,0,0]=3 100 B16R2.2400 NCC1CC(=O)N(CC2=CC=CC=C2)C1 Q52117 [0,1,0,1,0,0|1,0,0]=3 101 B16R2.2400 O=C1CC(CO)CN1CC2=CC=CC=C2 P34792 [0,1,0,1,0,0|1,0,0]=3 102 B16R2.44148 O=C(C=C1COC1)OCC2=CC=CC=C2 G-6551 [0,1,0,1,0,0|0,0,2]=4 103 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 G-5181 [0,1,0,1,0,0|1,0,0]=3 104 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 P44864 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.2888 CC(C)C1N=C(C2=CC=CC=C2)OC1=O P37238 [0,1,0,1,0,0|0,0,1]=3 106 B16R2.44151 CN(C(=O)OCC1=CC=CC=C1)C2CO2 K12336 [0,1,0,1,0,0|2,0,0]=4 107 B16R2.44151 CN(C(=O)OCC1=CC=CC=C1)[C@H]2CO2 K12337 [0,1,0,1,0,0|2,0,0]=4 108 B16R2.2991 CC(C)C1C(=O)CCC2=C1C=CC(F)=C2 Q69948 [0,1,0,1,0,0|1,0,0]=3 109 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 P40561 [1,0,0,0,1,0|2,0,0]=4 110 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 P40169 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 Q58395 [0,0,0,0,2,0|1,0,0]=3 115 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 P35917 [0,0,0,0,2,0|1,0,0]=3 116 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 P36974 [1,0,0,0,0,1|2,0,0]=4 117 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 L20663 [1,0,0,0,0,1|2,0,0]=4 118 B16R1.608 CC(=O)CCNC(=O)OCC1=CC=CC=C1 O34553 [0,0,0,0,0,2|1,0,1]=4 119 B16R1.608 CC(O)CCNC(=O)OCC1=CC=CC=C1 M23291 [0,0,0,0,0,2|1,0,0]=3 120 B16R1.18213 CC(C)NCC(O)COCC1=CC=CC=C1 L20632 [0,0,0,0,0,2|0,0,2]=4