0 B15R2.1428 CCCOC1OC(=O)C2=C1C=CC=C2 S662968 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.3 CCCCN1CCC2=C1C=CC=C2 S869902 [1,0,0,0,0,0|2,0,1]=4 2 B14R2.3 CNCCN1C=CC2=CC=CC=C12 CBR00703 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.3 NCCCN1C=CC2=CC=CC=C12 CBR00597 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.3 NCCCN1N=CC2=C1C=CC=C2 CBR01904 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.38 C=CCCCCC(=O)C1=CC=CC=C1 T242071 [0,0,1,0,0,0|1,0,2]=4 7 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [0,0,1,0,0,0|0,0,0]=1 8 B14R1.38 O=C(NCCCCO)C1=CC=CC=C1 PH003561 [0,0,1,0,0,0|2,0,0]=3 9 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [0,0,1,0,0,0|1,0,0]=2 10 B14R1.38 O=CCCCCC(=O)C1=CC=CC=C1 T270512 [0,0,1,0,0,0|2,0,1]=4 11 B14R1.903 CCCCCC1=CC=CC=C1C(=O)O PH007500 [0,0,1,0,0,0|0,0,0]=1 12 B14R1.903 CCCCNC1=CC=CC=C1[N+](=O)[O-] PH010544 [0,0,1,0,0,0|2,0,1]=4 13 B14R1.903 CCCCOC1=CC=CC=C1C(=O)N S381012 [0,0,1,0,0,0|2,0,0]=3 14 B14R1.903 CCCCOC1=CC=CC=C1[N+](=O)[O-] S359084 [0,0,1,0,0,0|2,0,1]=4 15 B14R1.903 N#CCCNC1=CC=CC=C1C(=O)O S953415 [0,0,1,0,0,0|2,0,1]=4 16 B16R3.20606 O=C1C2=C(C=CC=C2)C3=NCCCN13 S657662 [0,0,0,1,0,0|2,0,1]=4 17 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [1,0,1,0,0,0|0,0,2]=4 18 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,1,0,0,0|1,0,0]=3 19 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,0,1,0,0,0|1,0,0]=3 20 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,0,1,0,0,0|2,0,0]=4 21 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [1,0,1,0,0,0|1,0,0]=3 22 B13R1.26 CCCCC(C#N)C1=CC=CC=C1 S886351 [1,0,1,0,0,0|1,0,1]=4 23 B13R1.84 O=CC1=CC=CC=C1OCCCBr PH000462 [1,0,1,0,0,0|2,0,0]=4 24 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)N PH011074 [1,0,1,0,0,0|2,0,0]=4 25 B13R1.572 CCCOC1=CC=CN=C1C(=O)O CDS000097 [1,0,1,0,0,0|2,0,0]=4 26 B13R1.572 CCCSC1=CC=CC=C1C(=O)N PH007181 [1,0,1,0,0,0|2,0,0]=4 27 B13R1.572 CCCSC1=CC=CC=C1C(=O)O L255165 [1,0,1,0,0,0|1,0,0]=3 28 B15R1.30 CCCCNCC(=O)C1=CC=C(C=C1)O S564621 [0,1,1,0,0,0|2,0,0]=4 29 B15R1.30 CCCCNNC(=O)C1=CC=C(C=C1)O S728713 [0,1,1,0,0,0|2,0,0]=4 30 B15R1.31 CCCCCNC(=O)C1=CC(=CC=C1)Br EME00257 [0,1,1,0,0,0|1,0,0]=3 31 B15R1.138 CCCCCCNC(=O)C1=CC=CC=C1 PH009105 [0,1,1,0,0,0|1,0,0]=3 32 B15R1.138 CCCCCCOC(=O)C1=CN=CC=C1 S557501 [0,1,1,0,0,0|1,0,0]=3 33 B15R1.138 O=C(OCCCCCCl)C1=CC=CC=C1 S376876 [0,1,1,0,0,0|0,0,0]=2 34 B15R1.497 CC(=O)CCCCC(=O)C1=CC=CC=C1 T270334 [0,1,1,0,0,0|1,0,1]=4 35 B15R1.959 C=C(CCl)CCOC(=O)C1=CC=CC=C1 T286737 [0,1,1,0,0,0|1,0,1]=4 36 B15R1.3965 CCOCCOC(=O)C1=CC=CC=C1O PH001957 [0,1,1,0,0,0|1,0,0]=3 37 B15R1.3965 COCCCNC(=O)C1=C(C=CC=C1)Br EME00287 [0,1,1,0,0,0|2,0,0]=4 38 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Br L255823 [0,1,1,0,0,0|1,0,0]=3 39 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Cl L255777 [0,1,1,0,0,0|1,0,0]=3 40 B15R1.559 COCCOC1=CC=C(C=C1C(=O)O)Br L255033 [0,1,1,0,0,0|2,0,0]=4 41 B15R1.559 COCCOC1=CC=C(C=C1C(=O)O)Cl R456535 [0,1,1,0,0,0|2,0,0]=4 42 B15R1.1191 CCCCCC1=CC=CC=C1C(=O)OC PH007532 [0,1,1,0,0,0|0,0,0]=2 43 B15R1.1274 CCOC(=O)CC1=C(C=CC=C1)C(=O)O PH008827 [0,1,1,0,0,0|1,0,1]=4 44 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [1,1,0,0,0,0|1,0,0]=3 45 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 PH011453 [1,1,0,0,0,0|1,0,1]=4 46 B17R2.138581 CCCCN1C(=CC(=O)C2=CC=CC=C12)C T322318 [0,1,0,0,0,1|2,0,0]=4 47 B17R2.138581 CCCCN1C(=O)CC(=O)C2=C1C=CC=C2 R396818 [0,1,0,0,0,1|2,0,0]=4 48 B15R2.1259 O=C(CC1CCCC1)C2=CC=CC=C2 PH010294 [0,0,1,1,0,0|1,0,0]=3 49 B15R2.1259 O=C(NC1CCCC1)C2=CC=CC=C2 L135216 [0,0,1,1,0,0|1,0,0]=3 50 B15R2.1259 O=C(NC1CCCC1)C2=CC=CN=C2 T322717 [0,0,1,1,0,0|2,0,0]=4 51 B15R2.1259 O=C(OC1CCCC1)C2=CC=CC=C2 S709743 [0,0,1,1,0,0|0,0,0]=2 52 B15R2.1259 O=C(OC1CCCS1)C2=CC=CC=C2 T268348 [0,0,1,1,0,0|1,0,0]=3 53 B15R2.2226 C=C(C1=CC=CC=C1)C2CCCCC2 S960047 [0,0,1,1,0,0|2,0,0]=4 54 B15R2.2226 O=C(C1=CC=CC=C1)C2CCCNC2 CBR00493 [0,0,1,1,0,0|2,0,0]=4 55 B15R2.2226 O=C(C1=CC=CC=C1)C2CCNCC2 T315486 [0,0,1,1,0,0|2,0,0]=4 56 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 S341576 [0,0,1,1,0,0|1,0,0]=3 57 B15R2.55017 C(=O)NC1CCCCC2=C1C=CC=C2 S240923 [0,0,1,1,0,0|1,0,0]=3 58 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 PH008570 [0,0,1,1,0,0|0,0,2]=4 59 B15R2.1221 O=C(O)C1=CC=CN=C1N2CCCC2 CDS018152 [0,0,1,1,0,0|2,0,0]=4 60 B15R2.13611 O=C(O)C1=CC=CC2=C1CCCC2=O CDS008588 [0,0,1,1,0,0|1,0,1]=4 61 B17R3.35227 O=C1C2=C(C=CC=C2)OC3=C1CCCC3 T165131 [0,0,0,1,0,1|1,0,1]=4 62 B17R3.54615 [C@@H]12CCCCC1CC(=O)C3=CC=CC=C23 T174459 [0,0,0,1,0,1|1,0,0]=3 63 B17R3.54615 [C@H]12CCCC[C@H]1C3=CC=CC=C3C(=O)C2 T174475 [0,0,0,1,0,1|1,0,0]=3 64 B17R3.31713 CN1CCC2C(=O)C3=C(C2C1)C=CC=C3 S703370 [0,1,0,1,0,0|2,0,0]=4 65 B15R1.83 CCCCCOC(=O)NC1=CC=CC=C1 S589993 [0,0,1,0,0,1|0,0,0]=2 66 B15R1.83 CCCCONC(=O)NC1=CC=CC=C1 R270873 [0,0,1,0,0,1|2,0,0]=4 67 B15R1.83 CCOCCOC(=O)NC1=CC=CC=C1 S624349 [0,0,1,0,0,1|1,0,0]=3 68 B15R1.83 COCCCNC(=O)NC1=CC=CC=C1 PH009544 [0,0,1,0,0,1|2,0,0]=4 69 B15R2.352 CCCCC1=NC2=C(C=CC=C2)C=C1 S825042 [1,0,0,0,0,1|1,0,1]=4