0 B13R1.28 BrCCCOCCC1=CC=CC=C1 Q65988 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.28 CCNCCCCC1=CC=CC=C1 P38707 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.28 CNCCCOCC1=CC=CC=C1 P40223 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.28 ICCCCOCC1=CC=CC=C1 P37765 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 ICCCOCCC1=CC=CC=C1 Q65989 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.28 OCCCCOCC1=CC=CC=C1 P38021 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.28 OCCCOCCC1=CC=CC=C1 Q65987 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.44 NCCCC(=O)NC1=CC=NC=C1 L19630 [1,0,0,0,0,0|3,0,0]=4 8 B15R1.83 CSCCCNC(=S)NC1=CC=CC=C1 O29452 [0,1,0,0,0,0|2,1,0]=4 9 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 P36441 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 P51456 [0,0,0,0,1,0|1,0,0]=2 11 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 M23319 [0,0,0,0,1,0|2,0,0]=3 12 B15R1.78 C#CCCNC(=O)OCC1=CC=CC=C1 P51437 [0,0,0,0,0,1|1,0,2]=4 13 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 P40377 [0,0,0,0,0,1|2,0,0]=3 14 B15R1.78 O=C(C#CCCO)OCC1=CC=CC=C1 M15880 [0,0,0,0,0,1|2,0,1]=4 15 B15R1.78 O=C(NCCCBr)OCC1=CC=CC=C1 P38308 [0,0,0,0,0,1|2,0,0]=3 16 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 P38657 [0,0,0,0,0,1|2,0,0]=3 17 B12R1.8 CNCCOCC1=CC=CC=C1 P36478 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.8 CNCCOCC1=CC=CC=C1 P36772 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.8 NCCCOCC1=CC=CC=C1 P40697 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.8 OCCOCCC1=CC=CC=C1 P36349 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.32 CCOC(=O)CC1=CC=CN=N1 L13319 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.32 CCOC(=O)CC1=NC=CC=N1 I-9587 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 P40561 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 P40169 [2,0,0,0,0,0|1,0,1]=4 26 B14R1.123 BrCCCCOCCC1=CC=CC=C1 Q65991 [1,1,0,0,0,0|0,0,1]=3 27 B14R1.123 BrCCCOCCCC1=CC=CC=C1 Q65992 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.123 ICCCCCOCC1=CC=CC=C1 P35823 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.123 OCCCCCOCC1=CC=CC=C1 P38020 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.123 OCCCCOCCC1=CC=CC=C1 Q65990 [1,1,0,0,0,0|0,0,1]=3 31 B14R1.123 OCCCOCCCC1=CC=CC=C1 Q65993 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [1,1,0,0,0,0|1,0,1]=4 33 B16R1.608 CC(=O)CCNC(=O)OCC1=CC=CC=C1 O34553 [0,1,0,0,0,1|1,0,1]=4 34 B16R1.608 CC(O)CCNC(=O)OCC1=CC=CC=C1 M23291 [0,1,0,0,0,1|1,0,0]=3 35 B16R1.688 O=C(NCCCCO)OCC1=CC=CC=C1 P40403 [0,1,0,0,0,1|1,0,0]=3 36 B16R1.1343 O=C(NC[C@@H](O)CO)OCC1=CC=CC=C1 Q53512 [0,1,0,0,0,1|2,0,0]=4 37 B16R1.1343 O=C(NC[C@H](O)CO)OCC1=CC=CC=C1 Q53513 [0,1,0,0,0,1|2,0,0]=4 38 B16R1.1516 CN(CCCN)C(=O)OCC1=CC=CC=C1 P42447 [0,1,0,0,0,1|2,0,0]=4 39 B16R1.1516 CN(CCCO)C(=O)OCC1=CC=CC=C1 P35377 [0,1,0,0,0,1|2,0,0]=4 40 B16R1.1570 C[C@H](CCO)NC(=O)OCC1=CC=CC=C1 P35674 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 B-1075 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 B-1077 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B-1076 [1,0,0,1,0,0|1,0,1]=4 44 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 P41022 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.3019 C1=CC=C(CNCC2CCC2)C=C1 P45706 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.114 O=C(C1=CC=CC=C1)C2CCCN2 O28153 [0,0,0,1,1,0|2,0,0]=4 47 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 O28127 [0,0,0,1,1,0|2,0,0]=4 48 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 O33496 [0,0,0,1,0,1|2,0,0]=4 49 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 P50519 [0,0,0,1,0,1|2,0,0]=4 50 B16R2.2238 O=C(OCC1=CC=CC=C1)C2CCCN2 Q59360 [0,0,0,1,0,1|2,0,0]=4 51 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 G-5181 [0,0,0,1,0,1|2,0,0]=4 52 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 P44864 [0,0,0,1,0,1|2,0,0]=4 53 B16R2.88 O=C(CC1=CC=CC=C1)N2CCNCC2 O30396 [0,1,0,1,0,0|1,0,0]=3 54 B16R2.253 NC1=CC(NC(=O)N2CCCC2)=CC=C1 P51108 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.30 NCCNC(=O)C1=CC=CC=C1 P41078 [1,0,0,0,1,0|2,0,0]=4