0 B12R0.5 CCCCCCCCCC#CCO Z1198168660 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.5 CCCCCCCCCCCC#N Z966176448 [0,0,0,0,0,0|1,0,1]=2 2 B12R0.5 CCCCCCCCCCCCN Z104474358 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.5 CCCCCCCCCCCCO Z104476554 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.5 CCCCCCCCNCCCN Z600494288 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.5 CCCCCCCCOCCCN Z1262237229 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.5 CCCCCCNCCCCCC Z104475172 [0,0,0,0,0,0|2,0,0]=2 7 B12R0.5 NCCCCCCCCCCCO Z1198263294 [0,0,0,0,0,0|1,0,0]=1 8 B12R0.5 NCCOCCOCCOCCO Z4966740013 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.5 OCCSCCOCCSCCO Z1269189989 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.5 OCCSCCSCCSCCO Z1269195346 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.3 CCCCCCCCCCC=O Z993017862 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.3 CCCCCCCCCCNC Z102767086 [1,0,0,0,0,0|1,0,0]=2 13 B11R0.3 CCCCCCCCSCCO Z425753146 [1,0,0,0,0,0|1,0,0]=2 14 B11R0.3 CCCCCCCNCCCO Z139305228 [1,0,0,0,0,0|1,0,0]=2 15 B11R0.3 OCCSCCCCSCCO Z1269109601 [1,0,0,0,0,0|3,0,0]=4 16 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,1,0,0,0,0|0,0,3]=4 17 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,1,0,0,0,0|0,0,1]=2 18 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,1,0,0,0,0|1,0,1]=3 19 B13R0.147 COC(=O)CCCCCCCCCN Z3221366174 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.165 CCCCCCC(=O)CCCCCC Z104475286 [0,1,0,0,0,0|1,0,1]=3 21 B13R0.165 CCCCCCC(C)NCCCSC Z111883408 [0,1,0,0,0,0|3,0,0]=4 22 B13R0.336 OCCCCCCCCCCCCBr Z1259040916 [0,1,0,0,0,0|0,0,0]=1 23 B13R0.338 CCCCCCCN(C)CCCNC Z4548459381 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.28 CCCCCCCN1CCCCC1 Z3965396724 [0,0,0,1,0,0|2,0,0]=3 25 B13R1.28 COCCCSCC1CCCCO1 Z1764052030 [0,0,0,1,0,0|2,0,0]=3 26 B13R1.28 NCCCCCOC1CCCCC1 Z823284604 [0,0,0,1,0,0|2,0,0]=3 27 B13R1.84 CCCCN[C@@H]1CCCC[C@H]1OC Z2235777055 [0,0,0,1,0,0|3,0,0]=4 28 B13R1.119 NCCCCCCCN1CCCC1 Z335286646 [0,0,0,1,0,0|2,0,0]=3 29 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [0,0,0,1,0,0|0,0,2]=3 30 B13R1.485 COCCN1CCSCC1CCO Z1396267677 [0,0,0,1,0,0|3,0,0]=4 31 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [0,0,0,1,0,0|0,0,0]=1 32 B13R1.671 CCSC1CCCC1NCCCF Z1965440811 [0,0,0,1,0,0|3,0,0]=4 33 B13R1.1150 N#CCCNC1CCCCCCC1 Z57030948 [0,0,0,1,0,0|2,0,1]=4 34 B13R1.1887 CCCNCCN1CCCCCC1 Z798712178 [0,0,0,1,0,0|3,0,0]=4 35 B13R1.1887 COCCCNC1CCCCCC1 Z3547458872 [0,0,0,1,0,0|3,0,0]=4 36 B13R1.1887 NCCCCOC1CCCCCC1 Z756084280 [0,0,0,1,0,0|2,0,0]=3 37 B13R1.1887 NCCNCCN1CCCCCC1 Z2082999354 [0,0,0,1,0,0|3,0,0]=4 38 B10R0.71 CCCCCCCCCC=O Z104477054 [2,0,0,0,0,0|0,0,2]=4 39 B10R0.71 CCCCCCCCCCN Z362810900 [2,0,0,0,0,0|1,0,0]=3 40 B10R0.71 CCCCCCCCCNC Z752371288 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.71 CCCCCNCCCOC Z137847940 [2,0,0,0,0,0|2,0,0]=4 42 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [1,1,0,0,0,0|0,0,1]=3 43 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [1,1,0,0,0,0|1,0,1]=4 44 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [1,1,0,0,0,0|1,0,1]=4 45 B14R0.391 CCCCCCCCCC(C)CC(=O)O Z1434181484 [0,2,0,0,0,0|0,0,1]=3 46 B14R0.393 CCOC(=O)CCCCCCCCCN Z4872698405 [0,2,0,0,0,0|1,0,1]=4 47 B14R0.140 CCCCCCCC(=O)OCC(O)CO Z1509641988 [0,2,0,0,0,0|1,0,1]=4 48 B14R0.392 CCCCCCCNCCCCCCC Z104488332 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.8 CCCCCCC1CCCCN1 Z3214214291 [1,0,0,1,0,0|1,0,0]=3 50 B12R1.8 CCCCCCC1CCNCC1 Z2235307016 [1,0,0,1,0,0|1,0,0]=3 51 B12R1.8 CCCCCCN1CCCCC1 Z3773115082 [1,0,0,1,0,0|1,0,0]=3 52 B12R1.8 CCCCCOC1CCNCC1 Z1695821920 [1,0,0,1,0,0|2,0,0]=4 53 B12R1.8 CCCNCCN1CCCCC1 Z138449440 [1,0,0,1,0,0|2,0,0]=4 54 B12R1.8 CNCCCCN1CCCCC1 Z594229332 [1,0,0,1,0,0|2,0,0]=4 55 B12R1.8 COCCCNC1CCCCC1 Z3547453339 [1,0,0,1,0,0|2,0,0]=4 56 B12R1.8 NCCCCCN1CCCCC1 Z823284062 [1,0,0,1,0,0|2,0,0]=4 57 B12R1.8 OCCCCCN1CCNCC1 Z2680602904 [1,0,0,1,0,0|2,0,0]=4 58 B12R1.45 NCCCCN1CCCC1CO Z817024596 [1,0,0,1,0,0|2,0,0]=4 59 B12R1.121 CCC1CCCCC1OCCO Z854227734 [1,0,0,1,0,0|1,0,0]=3 60 B12R1.121 CCCCN1CCCCC1CN Z326178782 [1,0,0,1,0,0|2,0,0]=4 61 B12R1.169 CCN[C@H]1CCCC[C@@H]1NCC Z4557058372 [1,0,0,1,0,0|2,0,0]=4 62 B12R1.267 CC1CCCCN1CCCCN Z285162592 [1,0,0,1,0,0|2,0,0]=4 63 B12R1.271 CNCCCCNCC1CC1C Z2686134044 [1,0,0,1,0,0|2,0,0]=4 64 B12R1.329 COCCN1CCCCCCC1 Z168934532 [1,0,0,1,0,0|2,0,0]=4 65 B12R1.329 FCCCN1CCCCCCC1 Z3899643708 [1,0,0,1,0,0|2,0,0]=4 66 B12R1.329 OCCNC1CCCCCCC1 Z90504559 [1,0,0,1,0,0|1,0,0]=3 67 B12R1.372 CCCCCCC1CCCC1=O Z57921382 [1,0,0,1,0,0|0,0,2]=4 68 B12R1.375 O=CCCCCCCCC1CC1 Z4497136697 [1,0,0,1,0,0|0,0,2]=4 69 B12R1.375 OCCCCCCCCC1CO1 Z1896536419 [1,0,0,1,0,0|1,0,0]=3 70 B12R1.1414 OCCCNC1CCCCCC1 Z3549614608 [1,0,0,1,0,0|1,0,0]=3 71 B14R1.216 CCCCCCCCC1CCCC1=O Z813018306 [0,1,0,1,0,0|0,0,1]=3 72 B14R1.7146 CN(CCO)CCC1CCCCCC1 Z1734033098 [0,1,0,1,0,0|1,0,0]=3 73 B14R1.159 NC1CCCCC1CCCCC(=O)O Z5628310222 [0,1,0,1,0,0|1,0,1]=4 74 B14R1.903 CCOCCN1CCCCC1C(C)O Z1146512713 [0,1,0,1,0,0|2,0,0]=4 75 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Z1262515364 [0,1,0,1,0,0|0,0,1]=3 76 B14R1.6388 O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,1,0,1,0,0|1,0,1]=4 77 B14R1.123 CCCNCCNCC1CCCOC1 Z1650201284 [0,1,0,1,0,0|2,0,0]=4 78 B14R1.123 COCCCCCSC1CCCOC1 Z1627297009 [0,1,0,1,0,0|2,0,0]=4 79 B14R1.123 OCCCOCCCN1CCCCC1 Z825753286 [0,1,0,1,0,0|1,0,0]=3 80 B14R1.156 O=C(CCC1CCCCC1)NCCO Z31725814 [0,1,0,1,0,0|1,0,1]=4 81 B14R1.14 CCCCCCCN1CCC(CC1)O Z905432524 [0,1,0,1,0,0|2,0,0]=4 82 B14R1.845 O=CC1CCCCCCCCCCC1 Z1268606432 [0,1,0,1,0,0|0,0,1]=3 83 B14R1.845 ON=C1CCCCCCCCCCC1 Z49568438 [0,1,0,1,0,0|0,0,1]=3 84 B14R1.863 CC[C@@H](O)CNC1CCCCC1CO Z1738166586 [0,1,0,1,0,0|1,0,0]=3 85 B14R1.138 CC1CCSCCN1CCCCCF Z2063316889 [0,1,0,1,0,0|2,0,0]=4 86 B14R1.476 CCC1CCCCN1CCOCCO Z756092024 [0,1,0,1,0,0|1,0,0]=3 87 B14R1.904 CCSC1CCCCC1NCCCO Z1817495882 [0,1,0,1,0,0|1,0,0]=3 88 B14R1.2352 OCCCCCCN1CCCOCC1 Z1349256627 [0,1,0,1,0,0|1,0,0]=3 89 B14R1.86 O=C(CCC1CCCC1)NCCCO Z68223425 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.6 C1CCC(CC1)CC2CCCCN2 Z1509305290 [0,0,0,2,0,0|1,0,0]=3 91 B14R2.6 C1CCC(CC1)CC2CNCCO2 Z2310678585 [0,0,0,2,0,0|1,0,0]=3 92 B14R2.6 C1CCC(CC1)NC2CCCCC2 Z56924545 [0,0,0,2,0,0|2,0,0]=4 93 B14R2.14 OC[C@@H]1CNC[C@H]1C2CCOCC2 Z3771508499 [0,0,0,2,0,0|2,0,0]=4 94 B14R2.24 O=C1CCCCC1C2CCCCC2 Z104477038 [0,0,0,2,0,0|0,0,2]=4 95 B14R2.24 OC1CCCCC1C2CCCCN2 Z1262586614 [0,0,0,2,0,0|1,0,0]=3 96 B14R2.24 OC1CCCCC1C2COCCN2 Z2049874233 [0,0,0,2,0,0|2,0,0]=4 97 B14R2.24 O[C@@H]1CCCC[C@H]1N2CCNCC2 Z2306878705 [0,0,0,2,0,0|2,0,0]=4 98 B14R2.101 C1CCC(CC1)CCC2CCCN2 Z285198412 [0,0,0,2,0,0|1,0,0]=3 99 B14R2.101 C1COC(C1)COC2CCNCC2 Z317269010 [0,0,0,2,0,0|2,0,0]=4 100 B14R2.381 O=C1CCCCCC12CCCCC2 Z1255465953 [0,0,0,2,0,0|0,0,2]=4 101 B14R2.1253 C1CCC(CC1)C2CCCCCN2 Z992736934 [0,0,0,2,0,0|1,0,0]=3 102 B14R2.7150 NCCN1CCCC2C1CCCC2 Z1352877847 [0,0,0,2,0,0|2,0,0]=4 103 B14R2.7150 OCCN1CCCC2C1CCCC2 Z443295544 [0,0,0,2,0,0|1,0,0]=3 104 B14R2.98 NCC1CCCCC1N2CCCC2 Z2888819316 [0,0,0,2,0,0|2,0,0]=4 105 B14R2.112 FCCN1CCC2CCCCC2C1 Z3980337615 [0,0,0,2,0,0|2,0,0]=4 106 B14R2.50 NC1CCCCC1CC2CCCC2 Z813020490 [0,0,0,2,0,0|1,0,0]=3 107 B14R2.50 O[C@H]1CCCC[C@@H]1NC2CCOC2 Z1747670245 [0,0,0,2,0,0|2,0,0]=4 108 B14R2.57 OCCC1CCCCC12OCCO2 Z1726150731 [0,0,0,2,0,0|2,0,0]=4 109 B14R2.83 OCC1CCCN1CC2CCCN2 Z1317588122 [0,0,0,2,0,0|2,0,0]=4 110 B14R2.322 C1COC(C1)CNCC2CCCO2 Z137697870 [0,0,0,2,0,0|2,0,0]=4 111 B14R2.2840 C1CCCC(CC1)NC2CCCC2 Z90515460 [0,0,0,2,0,0|2,0,0]=4 112 B14R2.2840 C1CCCN(CC1)CC2CCCN2 Z3234811795 [0,0,0,2,0,0|2,0,0]=4