0 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [1,0,0,0,0,0|1,0,0]=2 1 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [1,0,0,0,0,0|1,0,2]=4 4 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [1,0,0,0,0,0|0,0,0]=1 5 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [1,0,0,0,0,0|1,0,2]=4 6 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.9032 CC1=[N+]([O-])C2=C(C=CC=C2)N(O)C1=O F31373 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.63893 CN1CC2=C(C=CC(N)=C2)N(C)C1=O P13081 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,0,1,0,0,0|1,0,0]=2 12 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,0,1,0,0,0|2,0,0]=3 14 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,0,1,0,0,0|2,0,0]=3 18 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 C73823 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.696 CN(C(=O)CCl)C1=C(F)C=CC=C1 72469 [0,0,1,0,0,0|3,0,0]=4 20 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 78591 [0,0,0,0,1,0|3,0,0]=4 21 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [0,0,0,0,1,0|1,0,0]=2 22 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,0,1,0,0,0|0,0,0]=2 31 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 52097 [1,0,1,0,0,0|1,0,0]=3 35 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [2,0,0,0,0,0|1,0,1]=4 38 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [2,0,0,0,0,0|1,0,1]=4 40 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [2,0,0,0,0,0|1,0,0]=3 43 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [2,0,0,0,0,0|1,0,0]=3 49 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [2,0,0,0,0,0|1,0,1]=4 52 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [2,0,0,0,0,0|1,0,1]=4 53 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [2,0,0,0,0,0|1,0,1]=4 54 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [0,1,1,0,0,0|2,0,0]=4 55 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [0,1,1,0,0,0|2,0,0]=4 56 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [0,1,1,0,0,0|2,0,0]=4 57 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N10875 [0,1,1,0,0,0|2,0,0]=4 58 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 Y14801 [0,1,1,0,0,0|2,0,0]=4 59 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(N)C=C1 Y11386 [0,1,1,0,0,0|2,0,0]=4 60 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 F16895 [0,1,1,0,0,0|2,0,0]=4 61 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 Y11618 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 Y14045 [0,1,1,0,0,0|2,0,0]=4 63 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10718 [0,1,1,0,0,0|2,0,0]=4 64 B14R1.132 CC(C)C(=O)N(C)C1=CC=C(O)C=C1 W12448 [0,1,1,0,0,0|2,0,0]=4 65 B14R1.132 C[C@H](Br)C(=O)N(C)C1=CC=C(F)C=C1 AC3655 [0,1,1,0,0,0|2,0,0]=4 66 B14R1.132 C[C@H](Br)C(=O)N(C)C1=CC=C(I)C=C1 AC4362 [0,1,1,0,0,0|2,0,0]=4 67 B14R2.8038 CN1C(=O)CCC2=C(Cl)C=CC=C21 66295 [1,1,0,0,0,0|1,0,0]=3 68 B14R2.28523 CN1C(=O)COC2=C1C(N)=CC=C2 79132 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 P12304 [1,1,0,0,0,0|1,0,0]=3 70 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C76579 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.639 CC1(C)SC2=C(C=CC=C2)NC1=O 77074 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.8239 C[C@@H]1OC2=C(C=C(Cl)C=C2)NC1=O 77317 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.8239 C[C@@H]1OC2=C(C=CC(Br)=C2)NC1=O 77195 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.8239 C[C@H]1CC2=C(C=CC(Cl)=C2)NC1=O P16868 [1,1,0,0,0,0|1,0,0]=3 75 B14R2.8716 C[C@@H]1C(=O)N(C)C2=C1C=CC(Br)=C2 87613 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20722 [0,0,1,1,0,0|2,0,0]=4 77 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 W19465 [0,0,1,1,0,0|2,0,0]=4 78 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,0,1,1,0,0|2,0,0]=4 79 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [1,0,0,0,1,0|2,0,0]=4