0 B16R2.12 CC(CC1=CNC2=C1C=CC=C2)C(=O)O CDS002184 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 CDS022020 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O CDS020217 [0,0,0,0,0,0|1,0,0]=1 3 B15R2.6 NC(=O)CCC1=CNC2=CC=CC=C12 PH000157 [1,0,0,0,0,0|1,0,0]=2 4 B15R2.6 NC(=O)CCN1C=CC2=C1C=CC=C2 S362794 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 CDS003058 [1,0,0,0,0,0|0,0,2]=3 6 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 S540390 [1,0,0,0,0,0|2,0,0]=3 7 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 CBR02279 [1,0,0,0,0,0|1,0,1]=3 8 B15R2.6 O=C(O)CC[N+]1=CSC2=C1C=CC=C2 S275042 [1,0,0,0,0,0|2,0,0]=3 9 B17R2.7 COC(=O)/C(=C/C1=CNC2=CC=CC=C12)/N PH008005 [0,1,0,0,0,0|0,0,2]=3 10 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 S765783 [0,1,0,0,0,0|0,0,0]=1 11 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 CDS019732 [0,1,0,0,0,0|0,0,0]=1 12 B17R2.7 N1C=C(C2=C1C=CC=C2)CC(N)C(=O)OC S781932 [0,1,0,0,0,0|0,0,0]=1 13 B17R2.138 CC(C)(CC1=CNC2=CC=CC=C12)[N+](=O)[O-] PH000495 [0,1,0,0,0,0|2,0,1]=4 14 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O CDS025181 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.3664 NC(CCSCC1=CC=CC=C1)C(=O)O S358401 [0,0,1,0,0,0|2,0,1]=4 16 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 CBR01208 [0,0,0,0,1,0|2,0,1]=4 17 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 R102520 [0,0,0,0,0,1|2,0,0]=3 18 B17R2.520754 CC(NC1=NC=NC2=C1C=CC=C2)C(=O)O L149071 [0,0,0,0,0,1|2,0,1]=4 19 B17R2.520754 CC(OC1=CC=CC2=C1C=CC=C2)C(=O)O S671622 [0,0,0,0,0,1|3,0,0]=4 20 B17R2.520754 CC(OC1=CC=CC2=C1C=CC=C2)C(=O)O S672181 [0,0,0,0,0,1|3,0,0]=4 21 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O PH009775 [1,0,1,0,0,0|1,0,1]=4 22 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O S802816 [1,0,1,0,0,0|1,0,0]=3 23 B14R1.540 O=C(O)CC/C(=N\O)/C1=CC=CC=C1 PH003476 [1,0,1,0,0,0|2,0,0]=4 24 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O PH010483 [1,0,1,0,0,0|2,0,0]=4 25 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 R465216 [2,0,0,0,0,0|1,0,1]=4 26 B14R2.3 [C-]#[N+]CCC1=CNC2=C1C=CC=C2 PH015645 [2,0,0,0,0,0|2,0,0]=4 27 B16R2.14 C/C(=N\O)/CCC1=CNC2=C1C=CC=C2 PH008912 [1,1,0,0,0,0|1,0,0]=3 28 B16R2.4003 O=C(O)CCC1C(=O)NC2=CC=CC=C12 CDS010161 [1,1,0,0,0,0|0,0,1]=3 29 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 R468797 [1,1,0,0,0,0|2,0,0]=4 30 B16R2.104522 CC1=CN(C2=C1C=CC=C2)CCC(=O)O PH009871 [1,1,0,0,0,0|2,0,0]=4 31 B16R2.495 CC(=O)C(C)(O)C1=CNC2=C1C=CC=C2 PH009633 [0,1,0,0,1,0|2,0,0]=4 32 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN R102539 [0,1,0,0,0,1|2,0,0]=4 33 B18R2.31781 CC(C1=CC2=C(C=CC=C2)C=C1)C(N)C(=O)O R410616 [0,1,0,0,0,1|1,0,0]=3 34 B18R2.1372400 CC(C)(CC1=CC=CC2=CC=CC=C12)C(=O)O PH007637 [0,1,0,0,0,1|2,0,0]=4 35 B18R2.12 N1C=C(C2=C1C=CC=C2)CC(N)C(=O)OCC S879681 [0,2,0,0,0,0|0,0,0]=2 36 B18R2.374 COC(=O)C(C)(N)CC1=CNC2=C1C=CC=C2 PH015219 [0,2,0,0,0,0|0,0,0]=2 37 B16R2.86 O=C(O)[C@@H]1CCC=C(C1)C2=CC=CC=C2 PH007932 [0,0,1,1,0,0|2,0,0]=4 38 B16R2.6271 CC(CC1=CN2C=CC=CC2=N1)C(=O)O PH019476 [0,0,1,1,0,0|2,0,0]=4 39 B16R3.26868 CN1CC2=C(C1=O)NC3=C2C=CC=C3 PH007882 [1,0,0,1,0,0|2,0,0]=4 40 B16R3.17569 O=C1CCC2=CNC3=CC=CC(=C23)N1 PH008981 [1,0,0,1,0,0|1,0,0]=3 41 B18R3.6472 NC1C(=O)NC1C2=CC=CC3=C2C=CC=C3 PH000722 [0,0,0,1,0,1|2,0,0]=4 42 B18R3.115616 N1C2=C(C=CC=C2)C3=C1CNC(C3)C(=O)O S277886 [0,1,0,1,0,0|0,0,0]=2 43 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,0,1,0,1,0|1,0,1]=4 44 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O PH010500 [0,0,1,0,1,0|0,0,2]=4 45 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O PH012937 [0,0,1,0,1,0|1,0,1]=4 46 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O S635022 [0,0,1,0,1,0|1,0,1]=4 47 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005069 [0,0,1,0,1,0|0,0,0]=2 48 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005975 [0,0,1,0,1,0|0,0,0]=2 49 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 S307483 [1,0,0,0,0,1|1,0,0]=3 50 B16R2.36 O=C(O)CCCN1C=CC2=CC=CC=C12 PH016794 [1,0,0,0,0,1|2,0,0]=4 51 B16R2.477 O=C(O)CSC1=CC2=CC=CC=C2C=C1 PH000086 [1,0,0,0,0,1|2,0,0]=4 52 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CC=C2 R244961 [1,0,0,0,0,1|1,0,0]=3 53 B16R2.179941 O=C(O)CNC1=C2C=CC=CC2=NC=N1 OTV000583 [1,0,0,0,0,1|1,0,1]=4 54 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C12 CDS013100 [1,0,0,0,0,1|1,0,1]=4 55 B18R2.2417296 CC(CCC1=CC=CC2=C1C=CC=C2)C(=O)O S283037 [0,0,0,0,0,2|2,0,0]=4 56 B18R2.11 O=C(O)CNC(=O)CC1=CNC2=CC=CC=C12 PH017265 [0,0,0,0,0,2|1,0,1]=4