0 B11R0.77 C#CC(CCCCC)OC(C)C b5ea3ce1c4333d31eb271261db61d4fa [0,0,0,0,0,0|1,0,3]=4 1 B11R0.77 C#C[C@H](CCCCC)OC(C)C 1e68010c9b789b251ff67207b20fdc51 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.77 C=CC(CC(C)C)OCCCC cc0e81a1147471b0350799c379df3282 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.77 C=CC(CCCCC)OC(C)C de91efcfe164c50259476e277ed86194 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.77 C=C[C@H](CCCCC)OC(C)C 6cad124ba86bdb13b0160151bd2edba5 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.77 CCCCCC(CC)OC(C)C 1b650e47125e7d8ff28872a686ff5552 [0,0,0,0,0,0|1,0,3]=4 6 B11R0.77 CCCCCN(C=O)CC(=O)N 18285495a477a2591f4f584d45ce8907 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.77 CCCCC[C@H](CC)OC(C)C 04a22e5e8c0d2ebbc0edf91f547d993d [0,0,0,0,0,0|1,0,3]=4 8 B11R0.77 CCCOC[C@H](CC)NC(=O)C ad445f96373d8fc68f8580ca043d86e8 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.6 CC(=O)OC(C)NCCCCl 26d495ae34fe5b50a42ae5e67347681e [1,0,0,0,0,0|2,0,1]=4 10 B10R0.6 CC(=O)OC(C)NCCCO 4bc7a14817cf48212ab7f69c2827e7d9 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.6 CC(=O)OC(C)OCCCF 05a1a7226203404b59b7b57615cfbd82 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.6 CC(=O)OC(C)OCCCS 4f87d92971fe1eab5e3c66a80b79b76f [1,0,0,0,0,0|2,0,1]=4 13 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [1,0,0,0,0,0|1,0,1]=3 14 B10R0.6 CCCCCC(C)OC(C)C 95b0f06e4023c661a347d1a359881d00 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.6 CCCCC[C@@H](C)OC(C)C c949db6949068bbc1ac83e262232b3a5 [1,0,0,0,0,0|1,0,2]=4 16 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [1,0,0,0,0,0|1,0,1]=3 17 B10R0.6 CCCCC[C@H](C)OC(C)C 4424b843f9aca94dfe1bca2a6a34affd [1,0,0,0,0,0|1,0,2]=4 18 B10R0.6 CCCCNC(C)OC(=O)C ebbdec824087aa88b4b4bc6265d4cb38 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.6 CCCCOC(C)OC(=O)C 998d73eb0cc87695df1b206f00c15219 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.6 CCCOCC(C)NC(=O)C 256e16fb224ac5487826e7e602d7ecb5 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.6 CCCOC[C@@H](C)NC(=O)C 02b867d1dcada6257e27f40901d68736 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.6 COCCNC(C)OC(=O)C 037349f1a5a6825b39cad1c44d90aad3 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.6 COCCOC(C)OC(=O)C 0456dfef3b32715e2c380df67ceaa70e [1,0,0,0,0,0|2,0,1]=4 24 B10R0.6 CSCCNC(C)OC(=O)C 66f1161f4233855af8cbcc9cacf542f2 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.6 CSCCOC(C)OC(=O)C e0273c5077d4f522a38d659eff6fb81d [1,0,0,0,0,0|2,0,1]=4 26 B10R0.24 C#CC(CCCCC)OCC 90058fe546fc9404f4e240cfaf3f05cf [1,0,0,0,0,0|0,0,3]=4 27 B10R0.24 C#C[C@H](CCCCC)OCC cd21c033028f0cdb6396d49acdb07a59 [1,0,0,0,0,0|0,0,3]=4 28 B10R0.24 C=CC(CCC)OCCCC 69ea78e3fe0936af58dac88120ef5c7b [1,0,0,0,0,0|2,0,1]=4 29 B10R0.24 C=CC(CCCCC)OCC 6d5704efc3b1195bb916339612770471 [1,0,0,0,0,0|0,0,1]=2 30 B10R0.24 C=CC(CCCCC)OCF 814faa10c6fda745c512de299e8c02e0 [1,0,0,0,0,0|1,0,1]=3 31 B10R0.24 C=CCC(C=C)OCCCC 79dcab914f1342c9848dabf2cd4f8cb9 [1,0,0,0,0,0|2,0,1]=4 32 B10R0.24 C=C[C@H](CCCCC)OCC 3a4d862c38cdc003a94c27a4e7b8df7f [1,0,0,0,0,0|0,0,1]=2 33 B10R0.24 C=C[C@H](CCCCC)OCF ae3759f7a1d3e2e72c1b4ade32f6ba5e [1,0,0,0,0,0|1,0,1]=3 34 B10R0.24 CCCCCC(CC)OCC f1e5ecf57e6b559d8bd03908dd3f1294 [1,0,0,0,0,0|0,0,3]=4 35 B10R0.24 CCCCC[C@H](CC)OCC 40180de9fd9da42585f0165bff867107 [1,0,0,0,0,0|0,0,3]=4 36 B10R0.87 C=CC(CCCC)OC(C)C bd3fb4d4e516fb1306ab2895f68702d4 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.87 CCCCC(CO)NC(=O)C 68902bbed5107db3b1d23a1d6c7c5465 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.87 CCCC[C@@H](CO)NC(=O)C 7b16a3c9ba202ed7d0ef89f7138c1e17 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.87 CCCC[C@H](CO)NC(=O)C c990e71bf827f4a94486963099a00e2c [1,0,0,0,0,0|2,0,1]=4 40 B12R0.120 C=C(C)CC(OCCCC)C(=C)C 0280e78d7af24eb7a7509f549db0f91f [0,1,0,0,0,0|3,0,0]=4 41 B12R0.120 CCCCCC(OC(C)C)C(=O)O 9f8f2a7bdd3a8d49f81204bd32bea1d7 [0,1,0,0,0,0|2,0,1]=4 42 B12R0.120 CCCCOC(CC(=O)C)C(=O)C 93aacadf0a5f7eb71304e9cd3343faaf [0,1,0,0,0,0|2,0,1]=4 43 B12R0.120 CCCNC[C@@H](NC(=O)C)C(=O)O 1a0b1358084a5ab64d19149048cb7461 [0,1,0,0,0,0|3,0,0]=4 44 B12R0.120 CCCNC[C@H](NC(=O)C)C(=O)O ff9a49d0ffe2aa2fc3011eeb02ca882a [0,1,0,0,0,0|3,0,0]=4 45 B12R0.120 CCCOCC(NC(=O)C)C(=O)O 67260ab5800e9b3aadc900543c543357 [0,1,0,0,0,0|3,0,0]=4 46 B12R0.120 CCCOC[C@@H](NC(=O)C)C(=O)O edf79d90025eb37e75042b42bd15383c [0,1,0,0,0,0|3,0,0]=4 47 B12R0.120 CCCOC[C@H](NC(=O)C)C(=O)O e15360a8b5b1c56069ff3cdde63ad76e [0,1,0,0,0,0|3,0,0]=4 48 B12R0.120 CCOCCC(NC(=O)C)C(=O)O 78488030ef5f02484d168f43a9295ed6 [0,1,0,0,0,0|3,0,0]=4 49 B12R0.126 C#CC(C)OC(C=C)CCCCC 76fcae50e7a5de8f70bee14db0544293 [0,1,0,0,0,0|1,0,1]=3 50 B12R0.126 C#CC(C)O[C@H](C=C)CCCCC a06ec1e8cb508dd95c22e844a8a7056a [0,1,0,0,0,0|1,0,1]=3 51 B12R0.126 C#CC(CCCCC)OC(C)C=O a46d6104e94f55dbf4221376b93a9285 [0,1,0,0,0,0|0,0,3]=4 52 B12R0.126 C#CC(CCCCC)O[C@H](C)C=O d2b8c53d9db97fefdef58a854c9b0654 [0,1,0,0,0,0|0,0,3]=4 53 B12R0.126 C#C[C@H](CCCCC)OC(C)C=O 8b84bea87fed325ab22bdc1d7eb7aec0 [0,1,0,0,0,0|0,0,3]=4 54 B12R0.126 C#C[C@H](CCCCC)O[C@H](C)C=O ed118600ead824ad22853acf63d610ef [0,1,0,0,0,0|0,0,3]=4 55 B12R0.126 C=CC(C)OC(C=C)CCCCC 4f254c9015d31eaed181c7765038834f [0,1,0,0,0,0|1,0,1]=3 56 B12R0.126 C=CC(C)O[C@H](C=C)CCCCC 5030ed639fc8db8acf0d11c87c02c17c [0,1,0,0,0,0|1,0,1]=3 57 B12R0.126 C=CC(CCCCC)OC(C)C#N f7cc9448cde4fa7d5f96a59a8baa598a [0,1,0,0,0,0|1,0,1]=3 58 B12R0.126 C=CC(CCCCC)OC(C)C=O d6a292b07a1691c23922bedbc6fcb6e4 [0,1,0,0,0,0|0,0,1]=2 59 B12R0.126 C=CC(CCCCC)OC(C)CC c3f56ae823b8a0437eb481cef053d148 [0,1,0,0,0,0|1,0,1]=3 60 B12R0.126 C=CC(CCCCC)OC(F)C#N 349d97cd060cc191fd5949c2b6c1dc53 [0,1,0,0,0,0|1,0,2]=4 61 B12R0.126 C=CC(CCCCC)O[C@H](C)C=O bede46727fceafb9ee98f00a4410bd81 [0,1,0,0,0,0|0,0,1]=2 62 B12R0.126 C=C[C@H](CCCCC)OC(C)C#N bc23c2c0242ad826defdf166fef13835 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.126 C=C[C@H](CCCCC)OC(C)C=O 1b3e3e0e6f113739394b2cebefd46597 [0,1,0,0,0,0|0,0,1]=2 64 B12R0.126 C=C[C@H](CCCCC)OC(C)CC 12fae11ae143e0d4e976dd80cb764878 [0,1,0,0,0,0|1,0,1]=3 65 B12R0.126 C=C[C@H](CCCCC)OC(F)C#N 79c499824bbd8e5b9fd3337dd840ed64 [0,1,0,0,0,0|1,0,2]=4 66 B12R0.126 C=C[C@H](CCCCC)O[C@H](C)C=O 531ccffed54d812e60d24487ed87a76c [0,1,0,0,0,0|0,0,1]=2 67 B12R0.126 CCCCCC(CC)OC(C)C=O d879b5d7cb808887bdba32fc651139cf [0,1,0,0,0,0|0,0,3]=4 68 B12R0.126 CCCCCC(CC)O[C@H](C)C=O 61a9dcc2b41e69b5de0ca82d4c1fd428 [0,1,0,0,0,0|0,0,3]=4 69 B12R0.126 CCCCC[C@H](CC)OC(C)C=O 56b69ecfa58215d339a8bc3bacf2f2f8 [0,1,0,0,0,0|0,0,3]=4 70 B12R0.126 CCCCC[C@H](CC)O[C@H](C)C=O bf6b894b3546f1d2ffd4e7d03b30d654 [0,1,0,0,0,0|0,0,3]=4 71 B12R0.202 C=CC(CC(C)C)OCCCCC 6f0509714d3036cdce69e7903aa40f6d [0,1,0,0,0,0|2,0,1]=4 72 B12R0.202 C=CC(CCCCCC)OC(C)C 5d39516719e330da0461f912df46705f [0,1,0,0,0,0|1,0,1]=3 73 B12R0.202 CCCCOC[C@H](CC)NC(=O)C a06a9edda12d474ac18e3c0409de4df6 [0,1,0,0,0,0|1,0,2]=4 74 B12R0.256 C=C=CC(CCCCC)OC(C)C 92793664a8205b4049b7b5497cbb9af0 [0,1,0,0,0,0|1,0,1]=3 75 B12R0.256 C=CCC(CC(=O)O)NCCCC 0a38fe760f8d483d4df31a4b7cd3e8c8 [0,1,0,0,0,0|3,0,0]=4 76 B12R0.256 C=CCC(CCCCC)OC(C)C e29b71f62a1d081d21c72195254b12d1 [0,1,0,0,0,0|1,0,1]=3 77 B12R0.256 C=CCN(CCCCC)CC(=O)N 312df0bee56041c64c45140013d21b3a [0,1,0,0,0,0|3,0,0]=4 78 B12R1.4 CCC1CCC(CC1)NC(=O)C ea2417ec185d09f800405d3ecaf178bc [0,0,0,1,0,0|1,0,2]=4 79 B12R1.182 CC(=O)OC1C=CC(C1)OCF 354b547c6ef71ff3b739236e250453f1 [0,0,0,1,0,0|2,0,0]=3 80 B12R1.182 CC(=O)O[C@@H]1C=C[C@@H](C1)OCF 379e7ebd902f350116b12cceb1c2fe05 [0,0,0,1,0,0|2,0,0]=3 81 B12R1.182 CC(=O)O[C@H]1C=C[C@@H](C1)OCF 041e77d130320e10dc46bc55ea9656b6 [0,0,0,1,0,0|2,0,0]=3 82 B12R1.182 CC(=O)O[C@H]1C=C[C@H](C1)OCF 4198a131d258133949484ba5cbe0aec9 [0,0,0,1,0,0|2,0,0]=3 83 B12R1.182 CCOC1C=CC(C1)OC(=O)C 8ba0a10411f7b20653fa80027eadcba9 [0,0,0,1,0,0|1,0,0]=2 84 B12R1.182 CCO[C@@H]1C=C[C@@H](C1)OC(=O)C 4156814dcb5d0ac4590b93746a756ed3 [0,0,0,1,0,0|1,0,0]=2 85 B12R1.182 CCO[C@H]1C=C[C@@H](C1)OC(=O)C df02ef1134108759675a69da2abc6ad9 [0,0,0,1,0,0|1,0,0]=2 86 B12R1.182 CCO[C@H]1C=C[C@H](C1)OC(=O)C 3a2811637c202bea859e5fca3e4c75d8 [0,0,0,1,0,0|1,0,0]=2 87 B12R1.210 CC(=O)NC1CCCCNC1=O 76db79fb758264a00fb79d41345c27e3 [0,0,0,1,0,0|3,0,0]=4 88 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@@H]1O d97606515079f22e5f040090aed00859 [0,0,0,1,0,0|2,0,1]=4 89 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@H]1O b04bc8b7e5ab82f1b5a242064aa1d787 [0,0,0,1,0,0|2,0,1]=4 90 B12R1.210 CC(=O)N[C@@H]1CCCCNC1=O 132638b5d14772c05e1407db10425c59 [0,0,0,1,0,0|3,0,0]=4 91 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O 141c788f677122fe76033d871b80fe1f [0,0,0,1,0,0|2,0,1]=4 92 B12R1.210 CC(=O)N[C@H]1CCCCNC1=O 631dadfc286487234d36ffd824162bda [0,0,0,1,0,0|3,0,0]=4 93 B12R1.210 CC(C)OC1CCCCCC1=O e8749d0499541b300a5f19045d30e787 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.224 CC(=O)NC1CCCC(C1C)C 95f6c5ac06614b7c9d53925f9ebce8fd [0,0,0,1,0,0|1,0,2]=4 95 B12R1.224 CC(=O)NC1CCCN(C1=O)C ddf73b293f4325d3e64e7e8fa521ced1 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.224 CC(=O)N[C@@H]1CCCN(C1=O)C 7deaf0815bafcc140caae7c5d03f89b7 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.224 CC(=O)N[C@H]1CCCN(C1=O)C e30823926a3636b00b661935adafa892 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.324 CCCOC1CCC1OC(=O)C 61734e7df11aa94e19218ee711ec5a85 [0,0,0,1,0,0|1,0,2]=4 99 B12R1.405 CC(=O)N1CCCCCC1CO af86dbc50f4a18bc583243f3bef5c70f [0,0,0,1,0,0|2,0,1]=4 100 B12R1.437 CC(=O)N1C(CCCC1CO)C cf75e7922ab4ba9ccb7341727a25d892 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.456 CCCCOC1OC(=O)C=C1C e4cd3463e860b05afe1f72337787418c [0,0,0,1,0,0|1,0,2]=4 102 B12R1.456 CCCCOC1OC(=O)C=C1Cl 60e7f9bd7d8afa473fabf5f8a20d2fb6 [0,0,0,1,0,0|2,0,1]=4 103 B12R1.456 CCCCOC1OC(=O)CC1C 06715f69c09a20e4a6e8248562d47e9f [0,0,0,1,0,0|1,0,2]=4 104 B12R1.476 CC(=O)NC(CO)C1CCCC1 603086cee425b5475a6cf43574b16f60 [0,0,0,1,0,0|2,0,1]=4 105 B12R1.476 CC(=O)N[C@@H](CO)C1CCCC1 21a54479c391aef94d723b3d769b1981 [0,0,0,1,0,0|2,0,1]=4 106 B12R1.476 CC(=O)N[C@H](CO)C1CCCC1 0b88cd2e788e24dc7202855682bcdc32 [0,0,0,1,0,0|2,0,1]=4 107 B12R1.476 CCC(NC(=O)C)C1CCCC1 9e717ebd7b7e116c1921f134fea0f377 [0,0,0,1,0,0|1,0,2]=4 108 B12R1.1392 CC(=O)NC1/C=C\CCCCC1 514e90806d1a743f5d7039b67252c8aa [0,0,0,1,0,0|1,0,0]=2 109 B12R1.1392 CC(=O)NC1CCCCCCC1 706b4665a4d0397396f67ba93d627708 [0,0,0,1,0,0|1,0,2]=4 110 B12R1.1392 CC(C)NC1/C=C\CCCCC1 304439050e52b6fe8fa1bfbf8541746b [0,0,0,1,0,0|2,0,1]=4 111 B12R1.1392 CC(C)OC1/C=C/CCCCC1 ba88553a7719dcb31be79d04fc4901c0 [0,0,0,1,0,0|1,0,1]=3 112 B12R1.1392 CC(C)OC1/C=C\CCCCC1 e775b5915b31c65ab6a3d13ee77f2efe [0,0,0,1,0,0|1,0,1]=3 113 B12R1.1392 CC(C)OC1C=CCCCCC1 246bce3a012914310180de429f92ad55 [0,0,0,1,0,0|1,0,1]=3 114 B12R1.1392 CC(C)O[C@H]1/C=C/CCCCC1 21af2becbbfcec60c02b7e54023ab703 [0,0,0,1,0,0|1,0,1]=3 115 B12R1.1392 CC(C)O[C@H]1/C=C\CCCCC1 d5eb5dde755c4835cd713f27079d9537 [0,0,0,1,0,0|1,0,1]=3 116 B12R1.2140 C=CC(CCCCC)OC1CC1 f3050c41824e93d1b0b4d29632e60a18 [0,0,0,1,0,0|1,0,1]=3 117 B12R1.2140 C=C[C@H](CCCCC)OC1CC1 559437d2612ddcaaccfd005c07bf6da6 [0,0,0,1,0,0|1,0,1]=3 118 B12R1.3862 C#CC1(CCCCC1)NC(=O)C c9dcc2564f4202e6ce423be04a27d007 [0,0,0,1,0,0|1,0,2]=4 119 B10R0.86 C=CC(NCCCC)C(=O)O da5926850cba2bee635639e54e439153 [0,0,0,0,1,0|2,0,0]=3 120 B10R0.86 C=CC(NCCCF)C(=O)O 51250c26920c37e19d6db9fdf21d5555 [0,0,0,0,1,0|3,0,0]=4 121 B10R0.86 C=CC(NCCCO)C(=O)O 117c2bb4f3915ab410fc611a0bddb666 [0,0,0,0,1,0|3,0,0]=4 122 B10R0.86 C=CC(NCCCS)C(=O)O b39897e3844a0027f8c1eac3ae4435de [0,0,0,0,1,0|3,0,0]=4 123 B10R0.86 C=CC(NCCOC)C(=O)O b602ccac4aba7532fa7968bd72e483ed [0,0,0,0,1,0|3,0,0]=4 124 B10R0.86 C=CC(NCCSC)C(=O)O 6e8610819c706307089a11f8320922e2 [0,0,0,0,1,0|3,0,0]=4 125 B10R0.86 C=CC(NCOCC)C(=O)O 2fc0b3357861e2123ce0aec0433ff548 [0,0,0,0,1,0|3,0,0]=4 126 B10R0.86 C=CC(OCCCC)C(C)C 14ae3d4dc4691c95795a9444d42ea360 [0,0,0,0,1,0|2,0,1]=4 127 B10R0.86 C=C[C@H](NCCCC)C(=O)O 4684c45a6d2cd39abe7f6a2f3997e9b6 [0,0,0,0,1,0|2,0,0]=3 128 B10R0.86 C=C[C@H](NCCCF)C(=O)O 593d1b1ceaac697d4330d390ed134835 [0,0,0,0,1,0|3,0,0]=4 129 B10R0.86 C=C[C@H](NCCCO)C(=O)O 79975784f43689451de0cd9dab4bd91a [0,0,0,0,1,0|3,0,0]=4 130 B10R0.86 C=C[C@H](NCCCS)C(=O)O 1ad9b403ed1a79a58a80e6ebc64baec3 [0,0,0,0,1,0|3,0,0]=4 131 B10R0.86 C=C[C@H](NCCOC)C(=O)O f2b5e37784686984250044ec056419c1 [0,0,0,0,1,0|3,0,0]=4 132 B10R0.86 C=C[C@H](NCCSC)C(=O)O 0c9619201baee6ff9d7b6e26bf246c51 [0,0,0,0,1,0|3,0,0]=4 133 B10R0.86 C=C[C@H](NCOCC)C(=O)O e536fcfc1420f3b7c3501f1d9aaba8f5 [0,0,0,0,1,0|3,0,0]=4 134 B12R0.124 C#CC(CCCCC)OCC(=C)C 0388955ee9ce5e46c7f4c760ac8c7085 [0,0,0,0,0,1|1,0,2]=4 135 B12R0.124 C#CC(CCCCC)OCC(=O)N 6f846378657a8df72ab4fdeb95aa6af6 [0,0,0,0,0,1|1,0,2]=4 136 B12R0.124 C#CC(CCCCC)OCC(=O)O 4c0cfe1abb17787ef3452eaad32a7b9f [0,0,0,0,0,1|1,0,2]=4 137 B12R0.124 C#C[C@H](CCCCC)OCC(=C)C f47d3298b28df91053774e74eacd3d55 [0,0,0,0,0,1|1,0,2]=4 138 B12R0.124 C#C[C@H](CCCCC)OCC(=O)N fc3b4f68870d1e1e61e3ffa9b97cc664 [0,0,0,0,0,1|1,0,2]=4 139 B12R0.124 C#C[C@H](CCCCC)OCC(=O)O a8f47bbb16d65e7c6761e0a1ee013cec [0,0,0,0,0,1|1,0,2]=4 140 B12R0.124 C=C(C)COC(CC)CCCCC 528592883d95b38317aedf3e0ec5a49e [0,0,0,0,0,1|1,0,2]=4 141 B12R0.124 C=C(C)CO[C@@H](CC)CCCCC c3f8541066efd7aea799928853b51d3c [0,0,0,0,0,1|1,0,2]=4 142 B12R0.124 C=CC(CCC(=O)O)NCCCC 879f161fc5a909328c8bbc237537ab3f [0,0,0,0,0,1|3,0,0]=4 143 B12R0.124 C=CC(CCCCC)OCC(=C)Br 3386c2068cfbb132d5fb573be8ebbbe9 [0,0,0,0,0,1|1,0,1]=3 144 B12R0.124 C=CC(CCCCC)OCC(=C)C e17cbd2f7cddc8ad1b17f7f925943700 [0,0,0,0,0,1|1,0,0]=2 145 B12R0.124 C=CC(CCCCC)OCC(=C)Cl 63303510d731d0d11ffb758f375a775f [0,0,0,0,0,1|1,0,1]=3 146 B12R0.124 C=CC(CCCCC)OCC(=C)F 154c604250a0ac0cf338ccca99c38380 [0,0,0,0,0,1|1,0,1]=3 147 B12R0.124 C=CC(CCCCC)OCC(=O)N 18e28c96906dc8c8b4f6680fe7004d2a [0,0,0,0,0,1|1,0,0]=2 148 B12R0.124 C=CC(CCCCC)OCC(=O)O 4117b7e22624dfa40d794c104c6b79a1 [0,0,0,0,0,1|1,0,0]=2 149 B12R0.124 C=CC(CCCCC)OCC(C)C 329bb3d47e23a7badf100f9ea6ac716f [0,0,0,0,0,1|1,0,1]=3 150 B12R0.124 C=CC(CCCCC)OCC(F)F 4df1bfde12668e3c9af48775065a67ef [0,0,0,0,0,1|2,0,1]=4 151 B12R0.124 C=CC(CCCCC)OCN(C)C 3a2690042fde88e4847d7c204508bfc7 [0,0,0,0,0,1|2,0,0]=3 152 B12R0.124 C=CC(CCCCC)OC[N+](=O)[O-] 50111453d8911d74069f2e7ea399742d [0,0,0,0,0,1|2,0,0]=3 153 B12R0.124 C=C[C@H](CCC(=O)O)NCCCC 88ecb702adfcb66a20570233a3ae61ed [0,0,0,0,0,1|3,0,0]=4 154 B12R0.124 C=C[C@H](CCCCC)OCC(=C)Br 031008eac148887df11806a6c66eb915 [0,0,0,0,0,1|1,0,1]=3 155 B12R0.124 C=C[C@H](CCCCC)OCC(=C)C 1a5d665f479322c55c693a96599c1269 [0,0,0,0,0,1|1,0,0]=2 156 B12R0.124 C=C[C@H](CCCCC)OCC(=C)Cl 9672214777906452ad4f2eb7b82ceb1a [0,0,0,0,0,1|1,0,1]=3 157 B12R0.124 C=C[C@H](CCCCC)OCC(=C)F 611d7d24977151d0246e85d4ead14d0b [0,0,0,0,0,1|1,0,1]=3 158 B12R0.124 C=C[C@H](CCCCC)OCC(=O)N f3c7ca26119331c659b30534362c9a2b [0,0,0,0,0,1|1,0,0]=2 159 B12R0.124 C=C[C@H](CCCCC)OCC(=O)O b6e0d14a526cff21c8718e2b268e487c [0,0,0,0,0,1|1,0,0]=2 160 B12R0.124 C=C[C@H](CCCCC)OCC(C)C 9eb379e4ef07a7a23cd4074762430a6a [0,0,0,0,0,1|1,0,1]=3 161 B12R0.124 C=C[C@H](CCCCC)OCC(F)F 020e4b6f98e21613d437940c5464f79b [0,0,0,0,0,1|2,0,1]=4 162 B12R0.124 C=C[C@H](CCCCC)OCN(C)C 7aac3432dd3b4e05c43cf872d28e9b13 [0,0,0,0,0,1|2,0,0]=3 163 B12R0.124 C=C[C@H](CCCCC)OC[N+](=O)[O-] 1020e8cc0aac4ecbf4be14fb349bd968 [0,0,0,0,0,1|2,0,0]=3 164 B12R0.124 CCCCCC(CC)OCC(=O)N da02338f10ada0946d6bded919aa32a3 [0,0,0,0,0,1|1,0,2]=4 165 B12R0.124 CCCCCC(CC)OCC(=O)O 45690892f9e75f113fa6661cafdb815c [0,0,0,0,0,1|1,0,2]=4 166 B12R0.124 CCCCC[C@H](CC)OCC(=O)N 8718ea932c9b832c9667889634e159e4 [0,0,0,0,0,1|1,0,2]=4 167 B12R0.124 CCCCC[C@H](CC)OCC(=O)O 09970a9013bdc3227bdbc47490c2d06e [0,0,0,0,0,1|1,0,2]=4 168 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.2 CC(=O)OCCCOCF 839300b4a23ae7f13d770824ad5ba603 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.2 CC(=O)OCCNCCBr 86e70651e2ef68f3f2552b68c9fd9535 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.2 CC(=O)OCCNCCF bec963d44f70641aefa68f79b9e9f243 [2,0,0,0,0,0|2,0,0]=4 173 B9R0.2 CC(=O)OCCNCCI 512fc7b78f65a98aaa9b5a24a55dd29e [2,0,0,0,0,0|2,0,0]=4 174 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [2,0,0,0,0,0|2,0,0]=4 175 B9R0.2 CC(=O)OCCNCCS 0d342b6bb6a97266d2b38620542a908c [2,0,0,0,0,0|2,0,0]=4 176 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [2,0,0,0,0,0|2,0,0]=4 177 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [2,0,0,0,0,0|2,0,0]=4 178 B9R0.2 CC(=O)OCNCCCCl 4c34a9d20da691b9859482fc9219ac0e [2,0,0,0,0,0|2,0,0]=4 179 B9R0.2 CC(=O)OCNCCCO 89aaf0a95b5cea62d4321235936deeff [2,0,0,0,0,0|2,0,0]=4 180 B9R0.2 CC(=O)OCOCCCF 2bfb3b9762b06c6017d0cd676ab47db2 [2,0,0,0,0,0|2,0,0]=4 181 B9R0.2 CC(=O)OCOCCCS 3586e68ace2929307ff5b4a00f63eae7 [2,0,0,0,0,0|2,0,0]=4 182 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|1,0,0]=3 183 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 185 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 186 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [2,0,0,0,0,0|1,0,0]=3 188 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 189 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [2,0,0,0,0,0|2,0,0]=4 190 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [2,0,0,0,0,0|1,0,0]=3 191 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 192 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [2,0,0,0,0,0|2,0,0]=4 193 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [2,0,0,0,0,0|1,0,0]=3 194 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [2,0,0,0,0,0|1,1,0]=4 195 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 196 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [2,0,0,0,0,0|2,0,0]=4 197 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [2,0,0,0,0,0|1,0,0]=3 198 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [2,0,0,0,0,0|1,1,0]=4 199 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [2,0,0,0,0,0|2,0,0]=4 202 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [2,0,0,0,0,0|1,0,0]=3 203 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [2,0,0,0,0,0|1,1,0]=4 204 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [2,0,0,0,0,0|2,0,0]=4 205 B9R0.2 COCCNCOC(=O)C 7c792011f968ec1a1d9667b50dc4d640 [2,0,0,0,0,0|2,0,0]=4 206 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [2,0,0,0,0,0|2,0,0]=4 207 B9R0.2 COCOCCOC(=O)C c1d21b4657b103686de2e70024d8053c [2,0,0,0,0,0|2,0,0]=4 208 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [2,0,0,0,0,0|2,0,0]=4 209 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.2 CSCCOCOC(=O)C 4ce161e7666f6d339ad656d877b5738e [2,0,0,0,0,0|2,0,0]=4 211 B9R0.2 CSCOCCOC(=O)C 85f658ca31404ad6a9d937e79a707f17 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [2,0,0,0,0,0|1,0,1]=4 215 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [2,0,0,0,0,0|0,0,2]=4 218 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [2,0,0,0,0,0|0,0,2]=4 219 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [2,0,0,0,0,0|1,0,1]=4 220 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [2,0,0,0,0,0|0,0,2]=4 221 B9R0.40 C=CC(CCCC)OCC debe70a957bdc231f9f5bc09ebab038f [2,0,0,0,0,0|0,0,1]=3 222 B9R0.40 C=CC(CCCC)OCF 752be02e7454f2c5867dec77875b7bf8 [2,0,0,0,0,0|1,0,1]=4 223 B9R0.50 C=CC(C=C)OCCCC ab7cd24288c143103860d36be86b3b7a [2,0,0,0,0,0|1,0,1]=4 224 B9R0.50 C=CC(CC)OCCCC c4ab6fc8dfc087891ae2542a53a4d2d9 [2,0,0,0,0,0|1,0,1]=4 225 B9R0.50 CCCCNC(C=O)C=O 63540bca94a0be06aa8526b5a5000aa6 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.50 CCCCOC(C=O)C=O 71af65ac7e054dcce5db17c58539e1ee [2,0,0,0,0,0|2,0,0]=4 227 B9R0.14 C=CC(CCC)OC(C)C 2e012a2f1c9f950d14174919c522fc9d [2,0,0,0,0,0|1,0,1]=4 228 B11R0.1 CCCC(C)NC(C)OC(=O)C 2689b41ba59b8ad40935ee7905fd46b2 [1,1,0,0,0,0|1,0,1]=4 229 B11R0.1 CCCC(C)OC(C)OC(=O)C 55f58ed89621faca1a1a51ee990feba6 [1,1,0,0,0,0|1,0,1]=4 230 B11R0.1 CCC[C@@H](C)OC(C)OC(=O)C 09735957da643d249f57ccf52bf73eb1 [1,1,0,0,0,0|1,0,1]=4 231 B11R0.1 CCC[C@H](C)NC(C)OC(=O)C b04d2d956e5838fc054015ec2a3ae710 [1,1,0,0,0,0|1,0,1]=4 232 B11R0.1 CCC[C@H](C)OC(C)OC(=O)C 7bc03f8fcbeadb6e52784020ca5684de [1,1,0,0,0,0|1,0,1]=4 233 B11R0.2 CC(=O)OC(C)NCCCCCl efcc382af8211ff1a6d510101b4494ec [1,1,0,0,0,0|1,0,1]=4 234 B11R0.2 CC(=O)OC(C)NCCCCO 274151f0835d9d34408ad46044b0157f [1,1,0,0,0,0|1,0,1]=4 235 B11R0.2 CC(=O)OC(C)NCCCCS 3af86dcbe187b292715d1dc20ac34d3b [1,1,0,0,0,0|1,0,1]=4 236 B11R0.2 CC(=O)OC(C)OCCCCF 5b2f8016bdb87ab8ea12be5b1a313f51 [1,1,0,0,0,0|1,0,1]=4 237 B11R0.2 CC(=O)OC(C)OCCCCS 2a4e2d0fab0172627570d4c95b2b97a8 [1,1,0,0,0,0|1,0,1]=4 238 B11R0.2 CCCCCCC(C)NC(=O)C 7d2594c88fb8150c121e8324175f88c5 [1,1,0,0,0,0|1,0,1]=4 239 B11R0.2 CCCCCC[C@@H](C)NC(=O)C af528d8f66525ad70454e456f4855ab6 [1,1,0,0,0,0|1,0,1]=4 240 B11R0.2 CCCCCC[C@H](C)NC(=O)C 4ac5ea84352b83ba49d889143f6264a1 [1,1,0,0,0,0|1,0,1]=4 241 B11R0.2 CCCCCNC(C)OC(=O)C 651d421f1dff9a2897abeac0ec7ca1a5 [1,1,0,0,0,0|0,0,1]=3 242 B11R0.2 CCCCCOC(C)OC(=O)C b3f4881419ed11c1fe16fad8e148a6d9 [1,1,0,0,0,0|0,0,1]=3 243 B11R0.2 CCCCOCC(C)NC(=O)C e161e9db7251f8f77526dfd842c19bfc [1,1,0,0,0,0|1,0,1]=4 244 B11R0.2 CCCCOC[C@@H](C)NC(=O)C a5e2936777c90350c2c332f2a167f0d1 [1,1,0,0,0,0|1,0,1]=4 245 B11R0.2 CCOCCNC(C)OC(=O)C 5c9d1ec62775c5566f295a27b22f96a1 [1,1,0,0,0,0|1,0,1]=4 246 B11R0.2 CCOCCOC(C)OC(=O)C df9620c56358912a9a778f739efc9b6b [1,1,0,0,0,0|1,0,1]=4 247 B11R0.2 CCSCCNC(C)OC(=O)C 586560ed35be338141106d82f6235517 [1,1,0,0,0,0|1,0,1]=4 248 B11R0.2 CCSCCOC(C)OC(=O)C c3b66dd33dc3002421d7e105a344cc48 [1,1,0,0,0,0|1,0,1]=4 249 B11R0.2 COCCCNC(C)OC(=O)C f6df35c3fdec3eb6fa6a9795bf2cceb5 [1,1,0,0,0,0|1,0,1]=4 250 B11R0.2 COCCCOC(C)OC(=O)C f5845732821b214de18975a13cec9016 [1,1,0,0,0,0|1,0,1]=4 251 B11R0.2 CSCCCNC(C)OC(=O)C a14026c74f57e4b047caf60ad0cbefc6 [1,1,0,0,0,0|1,0,1]=4 252 B11R0.2 CSCCCOC(C)OC(=O)C a7ec177294991a2112b53e1798a547e9 [1,1,0,0,0,0|1,0,1]=4 253 B11R0.6 CC(=O)NC(C)CCCC(C)C a1e8b5f53c6c07facbb948ebbde1fe9c [1,1,0,0,0,0|1,0,1]=4 254 B11R0.6 CC(=O)OC(C)NCCC(C)C fe6ccf7fb37d6fc7c7f33322295becaa [1,1,0,0,0,0|1,0,1]=4 255 B11R0.6 CC(=O)OC(C)NCCC(C)O 6f3c65ce59f718408174e6cfe52db72f [1,1,0,0,0,0|1,0,1]=4 256 B11R0.6 CC(=O)OC(C)NCC[C@@H](C)O b211c81e710d0df98e2b5f42185e6157 [1,1,0,0,0,0|1,0,1]=4 257 B11R0.6 CC(=O)OC(C)NCC[C@H](C)O 3f34d75e219f2a6eb11e37df2aa0fb29 [1,1,0,0,0,0|1,0,1]=4 258 B11R0.6 CC(=O)OC(C)OCCC(C)C 5055dae05a6e2ffcded6a7480c249efd [1,1,0,0,0,0|1,0,1]=4 259 B11R0.68 CCCCN(C)C(C)OC(=O)C a37da7cda1c437ee77f9418cd9ae4172 [1,1,0,0,0,0|1,0,1]=4 260 B11R0.107 CCC(C)CNC(C)OC(=O)C f78faded2f28b5fc2503357974817108 [1,1,0,0,0,0|1,0,1]=4 261 B11R0.107 CCC(C)COC(C)OC(=O)C 564587366b51e1e5e9617d469802ea3f [1,1,0,0,0,0|1,0,1]=4 262 B11R0.107 CCC(O)CNC(C)OC(=O)C a74f4004848dbb08a8cd940f91fb8e6d [1,1,0,0,0,0|1,0,1]=4 263 B11R0.107 CC[C@@H](C)COC(C)OC(=O)C 143830801159976f7ab52689c488582d [1,1,0,0,0,0|1,0,1]=4 264 B11R0.107 CC[C@@H](O)CNC(C)OC(=O)C 96af30c095b42be2a8896a69232c477b [1,1,0,0,0,0|1,0,1]=4 265 B11R0.107 CC[C@H](C)CNC(C)OC(=O)C 47fba7b7a01bfcac57b47e32499f52a6 [1,1,0,0,0,0|1,0,1]=4 266 B11R0.107 CC[C@H](C)COC(C)OC(=O)C 49e6616be5ada059fb91b1999c1ea77e [1,1,0,0,0,0|1,0,1]=4 267 B11R0.154 C=C(C=O)OC(C)CCCCC 9c6daa6ae3111bd0e6968c0a63e1d9c5 [1,1,0,0,0,0|0,0,2]=4 268 B11R0.154 C=C(C=O)O[C@@H](C)CCCCC dff13c5d9821a55b3279bb9275ac95b4 [1,1,0,0,0,0|0,0,2]=4 269 B11R0.154 CCCCCC(C)NC(=O)CC bc630bcd14906e5f8a25eb9d61b6f9fa [1,1,0,0,0,0|1,0,1]=4 270 B11R0.154 CCCCCC(C)NC(=O)CF 5d760f69f72cae53987bc26b0b37b616 [1,1,0,0,0,0|1,0,1]=4 271 B11R0.154 CCCCCC(C)NC(=O)CO b1987e3ffd1256966f5ade2751dbd699 [1,1,0,0,0,0|1,0,1]=4 272 B11R0.154 CCCCCC(C)NC(=O)CS 0494ab6bbcdac18d08e2a513457ce320 [1,1,0,0,0,0|1,0,1]=4 273 B11R0.154 CCCCCC(C)OC(C)C=O 3cbefdf10b071e792e19d986564892e4 [1,1,0,0,0,0|0,0,2]=4 274 B11R0.154 CCCCCC(C)O[C@H](C)C=O 4406b941de79d01c1b0f8f9c3950ef23 [1,1,0,0,0,0|0,0,2]=4 275 B11R0.154 CCCCC[C@@H](C)OC(C)C=O db40e7d200c0c464eb24ea841a04b6ba [1,1,0,0,0,0|0,0,2]=4 276 B11R0.154 CCCCC[C@@H](C)O[C@H](C)C=O acc9962077041deb83fc2f58d41d36b3 [1,1,0,0,0,0|0,0,2]=4 277 B11R0.154 CCCCC[C@H](C)NC(=O)CC 9adb0b9fb15364ba4605e72a32fe384f [1,1,0,0,0,0|1,0,1]=4 278 B11R0.154 CCCCC[C@H](C)NC(=O)CF 55aba371966eb157b3c40d06f51f13a5 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.154 CCCCC[C@H](C)NC(=O)CO b98ed524bef49d7d0d8229753e939d41 [1,1,0,0,0,0|1,0,1]=4 280 B11R0.154 CCCCC[C@H](C)NC(=O)CS 5fcc9d79a53b2ac80766be1d778ec59f [1,1,0,0,0,0|1,0,1]=4 281 B11R0.154 CCCCC[C@H](C)OC(C)C=O ba93230b737981efe9eb550e88231372 [1,1,0,0,0,0|0,0,2]=4 282 B11R0.154 CCCCC[C@H](C)O[C@H](C)C=O c0da4e082dd2b6fef29f21c570b4e076 [1,1,0,0,0,0|0,0,2]=4 283 B11R0.154 CCCCNC(C)OC(=O)OC ddd35a307d138888f4e47c318dd0505d [1,1,0,0,0,0|1,0,1]=4 284 B11R0.154 CCCCOC(C)OC(=O)OC 6a9183201443b2593082d20e0b694152 [1,1,0,0,0,0|1,0,1]=4 285 B11R0.78 CCCCCC(OCC)C(=O)O 823667956c11a2be178f1106421f9d04 [1,1,0,0,0,0|1,0,1]=4 286 B11R0.80 C=C=CC(CCCCC)OCC 9acd64db7cc79b554d2a4c22afc1d1ab [1,1,0,0,0,0|0,0,1]=3 287 B11R0.80 C=C=CC(CCCCC)OCF 168bf17840bf21f350f05b1252df6c3a [1,1,0,0,0,0|1,0,1]=4 288 B11R0.80 C=CCC(CCCCC)OCC 3e5711888ef58950fa6b5eb2161ea271 [1,1,0,0,0,0|0,0,1]=3 289 B11R0.80 C=CCC(CCCCC)OCF 954e92ec8ad39b4661f9974685222541 [1,1,0,0,0,0|1,0,1]=4 290 B11R0.152 C#CC(CCCCC)OCC=O 3e3641c579d390d40d33f69550b6d787 [1,1,0,0,0,0|0,0,2]=4 291 B11R0.152 C#CCOC(C=C)CCCCC d92d49ebc9fd491c8e9382366f5aa661 [1,1,0,0,0,0|0,0,2]=4 292 B11R0.152 C#CCO[C@H](C=C)CCCCC b7cfabb54173157a50f3e2b99631c45b [1,1,0,0,0,0|0,0,2]=4 293 B11R0.152 C#C[C@H](CCCCC)OCC=O e376f062bbea1ea99b2450f05ac18488 [1,1,0,0,0,0|0,0,2]=4 294 B11R0.152 C=CC(CCCCC)OCC#N 649e6ff0a0c46baa58162d36b1057116 [1,1,0,0,0,0|0,0,2]=4 295 B11R0.152 C=CC(CCCCC)OCC=O 5e289d27ba4d1e58519d9c05a1ff0317 [1,1,0,0,0,0|0,0,0]=2 296 B11R0.152 C=CC(CCCCC)OCCC b8f7f4b3c36c14e7c71130b4faf5bf44 [1,1,0,0,0,0|0,0,1]=3 297 B11R0.152 C=CC(CCCCC)OCCF 40e7a5f20b50f221ea37daf308efe482 [1,1,0,0,0,0|0,0,1]=3 298 B11R0.152 C=CC(CCCCC)OCCS e9960052c802964c1103dcd4d979e503 [1,1,0,0,0,0|0,0,1]=3 299 B11R0.152 C=CC(CCCCC)OCOC d2d1d71ce51aef852900612372fe089f [1,1,0,0,0,0|0,0,1]=3 300 B11R0.152 C=CC(CCCCC)OCSC ae1974295feffdf644d8e90a8371beed [1,1,0,0,0,0|0,0,1]=3 301 B11R0.152 C=CCOC(C=C)CCCCC 28f094d851e2f8edbc9fb7f3daab0322 [1,1,0,0,0,0|0,0,1]=3 302 B11R0.152 C=CCO[C@H](C=C)CCCCC f18c4a73f7890c9df984fb47b0ab11b4 [1,1,0,0,0,0|0,0,1]=3 303 B11R0.152 C=C[C@H](CCCCC)OCC#N 2afd7dedb285a48a99a832fcf16f8159 [1,1,0,0,0,0|0,0,2]=4 304 B11R0.152 C=C[C@H](CCCCC)OCC=O 0918ed8f9d916ff60c75f170249d311b [1,1,0,0,0,0|0,0,0]=2 305 B11R0.152 C=C[C@H](CCCCC)OCCC 079a321513731a15be8a8ba6b60102d9 [1,1,0,0,0,0|0,0,1]=3 306 B11R0.152 C=C[C@H](CCCCC)OCCF e04ee4056faa81cb0edc471a31880e94 [1,1,0,0,0,0|0,0,1]=3 307 B11R0.152 C=C[C@H](CCCCC)OCCS a8b442d35866dc68d7c5abad1875faf6 [1,1,0,0,0,0|0,0,1]=3 308 B11R0.152 C=C[C@H](CCCCC)OCOC b36913c192da669fde59e873d27c6520 [1,1,0,0,0,0|0,0,1]=3 309 B11R0.152 C=C[C@H](CCCCC)OCSC 5d9f99c6d55df7e9916b9227c6eff58c [1,1,0,0,0,0|0,0,1]=3 310 B11R0.152 CCCCCC(CC)OCC=O 3748c30355b53b5a08e92874af6c7df5 [1,1,0,0,0,0|0,0,2]=4 311 B11R0.152 CCCCC[C@H](CC)OCC=O 50643618d85dcb65e346d1b40f5660bf [1,1,0,0,0,0|0,0,2]=4 312 B11R0.161 C=CC(CCC)OCCCCC 21da9d389ae3af4833ffe07d46baf097 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.161 C=CC(CCCCCC)OCC b51af73827799cb8bf5f1f0c718c746b [1,1,0,0,0,0|0,0,1]=3 314 B11R0.161 C=CC(CCCCCC)OCF 02897b0ca14b4b0043878e141e9505f0 [1,1,0,0,0,0|1,0,1]=4 315 B11R0.161 C=CCC(C=C)OCCCCC 11a7331285aab9c355cd05e3e93ca6ac [1,1,0,0,0,0|1,0,1]=4 316 B11R0.47 C=CCC(CCCC)OC(C)C dfd8fddd6017e2d8a63e90d401eddb31 [1,1,0,0,0,0|1,0,1]=4 317 B11R0.160 CCCCC(NC(=O)C)C(=O)N e83988ea20edd742891d5c002b5c6717 [1,1,0,0,0,0|2,0,0]=4 318 B11R0.166 C#CC(C)OC(C=C)CCCC 16d922506411fca592d6f81b14a9673c [1,1,0,0,0,0|1,0,1]=4 319 B11R0.166 C=CC(C)OC(C=C)CCCC 0977e4efe008c21ce972a82eb4bc8a28 [1,1,0,0,0,0|1,0,1]=4 320 B11R0.166 C=CC(CCCC)OC(C)C#N 8b2bfc2a1e9325b69f9b838b8d5e8972 [1,1,0,0,0,0|1,0,1]=4 321 B11R0.166 C=CC(CCCC)OC(C)C=O 5be0940d201a5f7a932078ac3c6e97fc [1,1,0,0,0,0|0,0,1]=3 322 B11R0.166 C=CC(CCCC)OC(C)CC dba197f5c4803b3c0d75fc97242bfd5c [1,1,0,0,0,0|1,0,1]=4 323 B11R0.166 C=CC(CCCC)O[C@H](C)C=O 6dfb6b7188b18eb14e6aa2bd80ce80e0 [1,1,0,0,0,0|0,0,1]=3 324 B11R0.55 C=CC(NC(C)CCC)C(=O)O d4f6ab2ef518db225429d0c07d23857a [0,1,0,0,1,0|2,0,0]=4 325 B11R0.55 C=C[C@H](NC(C)CCC)C(=O)O 5bc01669099d8af55ec2690fef1d5494 [0,1,0,0,1,0|2,0,0]=4 326 B11R0.76 C=CC(NCCCCC)C(=O)O 9889e6be0c3ea70d81a80a056b6e0b05 [0,1,0,0,1,0|1,0,0]=3 327 B11R0.76 C=CC(NCCCCF)C(=O)O 55c6c181cea757a51500fd42570684f7 [0,1,0,0,1,0|2,0,0]=4 328 B11R0.76 C=CC(NCCCCO)C(=O)O 798a00210fb476c79948971e88d30bc7 [0,1,0,0,1,0|2,0,0]=4 329 B11R0.76 C=CC(NCCCOC)C(=O)O 4d168bde3eebba8aa91beca7dde98418 [0,1,0,0,1,0|2,0,0]=4 330 B11R0.76 C=CC(NCCCSC)C(=O)O ce391bece11a6dff0e794c738c597182 [0,1,0,0,1,0|2,0,0]=4 331 B11R0.76 C=CC(NCCOCC)C(=O)O 266e2ba9f3915a0998bf50546831f70b [0,1,0,0,1,0|2,0,0]=4 332 B11R0.76 C=CC(NCCSCC)C(=O)O 554e4317f638bccc7e59782f12b09d85 [0,1,0,0,1,0|2,0,0]=4 333 B11R0.76 C=CC(OCCCCC)C(C)C 70e7fe1ee87f1575330a6ff9a695be6a [0,1,0,0,1,0|1,0,1]=4 334 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 618c7100ba2b9bcbd7ae3feed50c417a [0,1,0,0,1,0|1,0,0]=3 335 B11R0.76 C=C[C@H](NCCCCF)C(=O)O eb154b6509acc853ffaa302df9ed9479 [0,1,0,0,1,0|2,0,0]=4 336 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 08e9a41a46a27a7a5d2e112907f5dc57 [0,1,0,0,1,0|2,0,0]=4 337 B11R0.76 C=C[C@H](NCCCOC)C(=O)O f375f4c212d50cb385c73336b8da32c8 [0,1,0,0,1,0|2,0,0]=4 338 B11R0.76 C=C[C@H](NCCCSC)C(=O)O 6ff9b204a8fada7ad1682bfec3c7b6b3 [0,1,0,0,1,0|2,0,0]=4 339 B11R0.76 C=C[C@H](NCCOCC)C(=O)O eaf217a37c74a6c0e16e3c9fe51a1ff6 [0,1,0,0,1,0|2,0,0]=4 340 B11R0.76 C=C[C@H](NCCSCC)C(=O)O 2a8b17f29d251268cd35a01827f8c4cb [0,1,0,0,1,0|2,0,0]=4 341 B11R0.90 C=CC(NCC(C)CC)C(=O)O 9ff660adf2d22130128d148a396f4b4f [0,1,0,0,1,0|2,0,0]=4 342 B11R0.90 C=CC(NCC(O)CC)C(=O)O 7b0a66ddd0697cc8e6e2acdcc6f89410 [0,1,0,0,1,0|2,0,0]=4 343 B11R0.90 C=CC(NC[C@@H](C)CC)C(=O)O c615c6b6f6968219e14836cf47e11d30 [0,1,0,0,1,0|2,0,0]=4 344 B11R0.90 C=CC(NC[C@H](C)CC)C(=O)O 6e0855408fb6a238d77a6f3cc61daf5c [0,1,0,0,1,0|2,0,0]=4 345 B11R0.90 C=C[C@H](NCC(C)CC)C(=O)O 51f077fc0ccbcfda6756ed7435ea80c9 [0,1,0,0,1,0|2,0,0]=4 346 B11R0.90 C=C[C@H](NCC(O)CC)C(=O)O 6f40fc6afdb650d8204a889f2608e184 [0,1,0,0,1,0|2,0,0]=4 347 B11R0.90 C=C[C@H](NC[C@@H](C)CC)C(=O)O db629386fc25e9fb7ee226280079778f [0,1,0,0,1,0|2,0,0]=4 348 B11R0.90 C=C[C@H](NC[C@H](C)CC)C(=O)O fae5ae8b107dc5a2c704e78660e701d6 [0,1,0,0,1,0|2,0,0]=4 349 B11R0.153 CCCCNC(C(=O)C)C(=O)C b6c8a4dbd35476b5434017d9749b859d [0,1,0,0,1,0|1,0,1]=4 350 B11R0.153 CCCCOC(C(=O)C)C(=O)C 3262bdf34e438ec129505d8deca82993 [0,1,0,0,1,0|1,0,1]=4 351 B11R0.273 C=CC(NCCC(C)C)C(=O)O a757ed0d1e9d72e8a1a3998802591743 [0,1,0,0,1,0|2,0,0]=4 352 B11R0.273 C=CC(NCCC(C)O)C(=O)O 14901aef20fb24230be0881b567a3e6e [0,1,0,0,1,0|2,0,0]=4 353 B11R0.273 C=C[C@H](NCCC(C)C)C(=O)O 5dbd4458ff3bbfe8c9a16633c2e56c45 [0,1,0,0,1,0|2,0,0]=4 354 B11R0.273 C=C[C@H](NCCC(C)O)C(=O)O 03a7e96b8d63cff57ff7b2c32beb58c4 [0,1,0,0,1,0|2,0,0]=4 355 B13R0.144 C#CC(CCCCC)OC(C)C(=O)C ab13ef55bca99f36685a9e5acbfe13f0 [0,1,0,0,0,1|0,0,2]=4 356 B13R0.144 C#C[C@H](CCCCC)OC(C)C(=O)C 045f9e43bca35c839810c3888aa53260 [0,1,0,0,0,1|0,0,2]=4 357 B13R0.144 C=CC(CCCCC)OC(C)C(=O)C 9671e40708a6fb3648661db0e16f3d71 [0,1,0,0,0,1|0,0,0]=2 358 B13R0.144 C=CC(CCCCC)OC(C)C(=O)N 8bd8f06912254a1d1b1ff436124f7bdf [0,1,0,0,0,1|1,0,0]=3 359 B13R0.144 C=CC(CCCCC)OC(C)C(=O)O 1eecb49b11aca07b53f566b43ca20a2c [0,1,0,0,0,1|1,0,0]=3 360 B13R0.144 C=CC(CCCCC)OC(C)C(C)C 6587e09c9b68a4aea0c9f077d0bd202a [0,1,0,0,0,1|1,0,1]=4 361 B13R0.144 C=CC(CCCCC)OC(F)C(=O)N 6015897175ec886127ea46298d69c7c5 [0,1,0,0,0,1|1,0,0]=3 362 B13R0.144 C=CC(CCCCC)OC(F)C(=O)O 2051888fcca350eb6f349a2faad87054 [0,1,0,0,0,1|1,0,0]=3 363 B13R0.144 C=CC(CCCCC)O[C@@H](C)C(=O)N 45f3c5043224abf422a62d2e68d9cc7f [0,1,0,0,0,1|1,0,0]=3 364 B13R0.144 C=CC(CCCCC)O[C@@H](C)C(=O)O f03c1c819fb858a136d464efc9d1a94b [0,1,0,0,0,1|1,0,0]=3 365 B13R0.144 C=CC(CCCCC)O[C@@H](F)C(=O)O f2f50bbadeab78076193149093889ecf [0,1,0,0,0,1|1,0,0]=3 366 B13R0.144 C=CC(CCCCC)O[C@H](C)C(=O)N 81660fe020a2b0e45ceb21e0ffdaa8a9 [0,1,0,0,0,1|1,0,0]=3 367 B13R0.144 C=CC(CCCCC)O[C@H](C)C(=O)O 788b27777620e54de474b1b3a3909075 [0,1,0,0,0,1|1,0,0]=3 368 B13R0.144 C=C[C@H](CCCCC)OC(C)C(=O)C 199c51a801f333df9254c56beb0c295a [0,1,0,0,0,1|0,0,0]=2 369 B13R0.144 C=C[C@H](CCCCC)OC(C)C(=O)N 7798f6cedbf3e9d80df03afd8e53693e [0,1,0,0,0,1|1,0,0]=3 370 B13R0.144 C=C[C@H](CCCCC)OC(C)C(=O)O 3fc1d0e33aceba7e9f7c7f547a757e86 [0,1,0,0,0,1|1,0,0]=3 371 B13R0.144 C=C[C@H](CCCCC)OC(C)C(C)C 01b51274107797662ab1b7e4b54d2292 [0,1,0,0,0,1|1,0,1]=4 372 B13R0.144 C=C[C@H](CCCCC)OC(F)C(=O)N fa0d0a59edc41eef62c4d660a9bd4d2b [0,1,0,0,0,1|1,0,0]=3 373 B13R0.144 C=C[C@H](CCCCC)OC(F)C(=O)O 5998605fc0fb8f270341a9a1bbe58dbf [0,1,0,0,0,1|1,0,0]=3 374 B13R0.144 C=C[C@H](CCCCC)O[C@@H](C)C(=O)N e52f531ea9d97138d97a605d9a833708 [0,1,0,0,0,1|1,0,0]=3 375 B13R0.144 C=C[C@H](CCCCC)O[C@@H](C)C(=O)O 023fbcff3cd5637cff15026c9433a59e [0,1,0,0,0,1|1,0,0]=3 376 B13R0.144 C=C[C@H](CCCCC)O[C@@H](F)C(=O)O b59e70100f41bffac2e83715e7268724 [0,1,0,0,0,1|1,0,0]=3 377 B13R0.144 C=C[C@H](CCCCC)O[C@H](C)C(=O)N 14d1af365aa66744c2a8fad728cf96d0 [0,1,0,0,0,1|1,0,0]=3 378 B13R0.144 C=C[C@H](CCCCC)O[C@H](C)C(=O)O a452b59af2468e90513a70daf494c449 [0,1,0,0,0,1|1,0,0]=3 379 B13R0.144 CCCCCC(CC)OC(C)C(=O)C 6aa8ec53d0c3b64cc2e9764da6c25463 [0,1,0,0,0,1|0,0,2]=4 380 B13R0.144 CCCCC[C@H](CC)OC(C)C(=O)C d9691cda84242d883a128b048d572732 [0,1,0,0,0,1|0,0,2]=4 381 B13R0.285 C=CC(CCC(=O)O)NCCCCC c0324ab289445347d6776a56c172b11c [0,1,0,0,0,1|2,0,0]=4 382 B13R0.285 C=CC(CCCCCC)OCC(=C)Br 58a118fc31cdcac6d7b239159b9bf42f [0,1,0,0,0,1|1,0,1]=4 383 B13R0.285 C=CC(CCCCCC)OCC(=C)C 5ee4e4b3bdd6f931aba8a8cb3e0e64fb [0,1,0,0,0,1|1,0,0]=3 384 B13R0.285 C=CC(CCCCCC)OCC(=C)Cl 17e5f702c8ec9768cc9b103fa3260edb [0,1,0,0,0,1|1,0,1]=4 385 B13R0.285 C=CC(CCCCCC)OCC(=C)F a9b503bb92700a5567f41e41cb968595 [0,1,0,0,0,1|1,0,1]=4 386 B13R0.285 C=CC(CCCCCC)OCC(=O)N 8f164b365fd22887b6aba7fd52644ab3 [0,1,0,0,0,1|1,0,0]=3 387 B13R0.285 C=CC(CCCCCC)OCC(=O)O 6fedd0622a36ec7b4d538dfaf19b087b [0,1,0,0,0,1|1,0,0]=3 388 B13R0.285 C=CC(CCCCCC)OCC(C)C 3eefcded0e01e65db190d65b9efb51df [0,1,0,0,0,1|1,0,1]=4 389 B13R0.285 C=CC(CCCCCC)OCN(C)C 04d2d202ce13e9f7355f8718502919da [0,1,0,0,0,1|2,0,0]=4 390 B13R0.285 C=CC(CCCCCC)OC[N+](=O)[O-] 140644dc125f92a3cc9224a67a192ecc [0,1,0,0,0,1|2,0,0]=4 391 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCC 29e6bb3ba0c197726d7be4b3ad16a23e [0,1,0,0,0,1|2,0,0]=4 392 B13R0.346 C=C(C)COC(CCCCC)C(=O)O 8ea14d27bff7884e5ad97a0df36fa0ce [0,1,0,0,0,1|2,0,0]=4 393 B13R0.346 CCCCCC(OCC(=O)N)C(=O)O d4171a5d9de61f4e6b23dc297b18070a [0,1,0,0,0,1|2,0,0]=4 394 B13R0.346 CCCCCC(OCC(=O)O)C(=O)O f3c8a766b0a0fa6aebcab37ec594e448 [0,1,0,0,0,1|2,0,0]=4 395 B13R0.346 CCCCN[C@@H](COC(=O)C)C(=O)O 091912d3ace76369098307a8d23d6794 [0,1,0,0,0,1|2,0,0]=4 396 B13R0.391 C=C=CC(CCCCC)OCC(=C)Br 952359069fb0c6b0329beb0ef529ea84 [0,1,0,0,0,1|1,0,1]=4 397 B13R0.391 C=C=CC(CCCCC)OCC(=C)C f73d66d8d2dcb27f9333a2bc0a40467a [0,1,0,0,0,1|1,0,0]=3 398 B13R0.391 C=C=CC(CCCCC)OCC(=C)Cl 05edd41ea4f24b82709919531d4e8226 [0,1,0,0,0,1|1,0,1]=4 399 B13R0.391 C=C=CC(CCCCC)OCC(=C)F f68f1edf701b0660b6682e548072b0f4 [0,1,0,0,0,1|1,0,1]=4 400 B13R0.391 C=C=CC(CCCCC)OCC(=O)N bdd62136a8af3e632c4edd305618a7d4 [0,1,0,0,0,1|1,0,0]=3 401 B13R0.391 C=C=CC(CCCCC)OCC(=O)O 3be9aa530e5b542d28e99cba49c6472b [0,1,0,0,0,1|1,0,0]=3 402 B13R0.391 C=C=CC(CCCCC)OCC(C)C 0482eaef62a88ca97bfd8022422a8da8 [0,1,0,0,0,1|1,0,1]=4 403 B13R0.391 C=C=CC(CCCCC)OCN(C)C 0d6ab9ff891b3d88b379d120ee01b423 [0,1,0,0,0,1|2,0,0]=4 404 B13R0.391 C=C=CC(CCCCC)OC[N+](=O)[O-] 8edc1c89a85e40eb77387bc4374ebbd2 [0,1,0,0,0,1|2,0,0]=4 405 B13R0.391 C=CCC(CCCCC)OCC(=C)Br 19d0af6302d30cb8234863be6717b2cc [0,1,0,0,0,1|1,0,1]=4 406 B13R0.391 C=CCC(CCCCC)OCC(=C)C 9cff8b32eeac16ca1aaf6304ca353810 [0,1,0,0,0,1|1,0,0]=3 407 B13R0.391 C=CCC(CCCCC)OCC(=C)Cl 5f549a3663e6e0389719829c7c7fcb50 [0,1,0,0,0,1|1,0,1]=4 408 B13R0.391 C=CCC(CCCCC)OCC(=C)F 679dd3f63c60d166bc9bff86d3cbdd0f [0,1,0,0,0,1|1,0,1]=4 409 B13R0.391 C=CCC(CCCCC)OCC(=O)N 6d18ee0ce048527a1c1f8d2ddb55a6a6 [0,1,0,0,0,1|1,0,0]=3 410 B13R0.391 C=CCC(CCCCC)OCC(=O)O a7153c0bb4443fd85bed2615ea2118e8 [0,1,0,0,0,1|1,0,0]=3 411 B13R0.391 C=CCC(CCCCC)OCC(C)C 1754916c3192eb2abd495ae68cbfdc40 [0,1,0,0,0,1|1,0,1]=4 412 B13R0.391 C=CCC(CCCCC)OCN(C)C 4af43633ebd421854963572f2c0387c7 [0,1,0,0,0,1|2,0,0]=4 413 B13R0.391 C=CCC(CCCCC)OC[N+](=O)[O-] 29b303d505a1302e23c4fa17c926d05a [0,1,0,0,0,1|2,0,0]=4 414 B13R0.1052 C#CC(CCCCC)OCC(=O)CC 18c35035407a3f01b7b8a6ae242b6142 [0,1,0,0,0,1|0,0,2]=4 415 B13R0.1052 C#CC(CCCCC)OCC(=O)NC 4c92953088994bd31622385512b6caee [0,1,0,0,0,1|0,0,2]=4 416 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 7f21b7e0438e9ae74d587e68f4f6ce89 [0,1,0,0,0,1|0,0,2]=4 417 B13R0.1052 C#C[C@H](CCCCC)OCC(=O)CC a4f21ac50f2e8078b876b1f0728bec83 [0,1,0,0,0,1|0,0,2]=4 418 B13R0.1052 C#C[C@H](CCCCC)OCC(=O)NC d4477ac974d4d7a9c18f450ccce9ae9e [0,1,0,0,0,1|0,0,2]=4 419 B13R0.1052 C#C[C@H](CCCCC)OCC(=O)OC c13fc62d3b333067e50dfced9398a524 [0,1,0,0,0,1|0,0,2]=4 420 B13R0.1052 C=CC(CCCCC)OC/C(=C/Cl)/Cl b7b09d592585e11837c22c2b7760e41a [0,1,0,0,0,1|1,0,1]=4 421 B13R0.1052 C=CC(CCCCC)OCC(=C)C#N 079eec83f0192f864cc9fe4e332bddc9 [0,1,0,0,0,1|1,0,1]=4 422 B13R0.1052 C=CC(CCCCC)OCC(=C)CC 8cad2849f4fb626d4cda4b0d2b84e21a [0,1,0,0,0,1|1,0,0]=3 423 B13R0.1052 C=CC(CCCCC)OCC(=C)OC 3387cf37e72d6136ecbee0085053cec5 [0,1,0,0,0,1|1,0,0]=3 424 B13R0.1052 C=CC(CCCCC)OCC(=O)CC 15520dfbd38892326b5a4dc9c8491f0c [0,1,0,0,0,1|0,0,0]=2 425 B13R0.1052 C=CC(CCCCC)OCC(=O)NC 7d20d80ee5f21101feefce3d65f4100a [0,1,0,0,0,1|0,0,0]=2 426 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 391c818630a08f20f1b56f23d4429a20 [0,1,0,0,0,1|0,0,0]=2 427 B13R0.1052 C=CC(CCCCC)OCC(C)C#N 453be11d4dd2959a10a89293d16e824f [0,1,0,0,0,1|1,0,1]=4 428 B13R0.1052 C=CC(CCCCC)OCC(C)CC a629e78a8d7f2f31aedc0fc480e0f1c2 [0,1,0,0,0,1|1,0,1]=4 429 B13R0.1052 C=CC(CCCCC)OCC(C)OC b976665f86b238fa88daac8acbd1290a [0,1,0,0,0,1|0,0,2]=4 430 B13R0.1052 C=CC(CCCCC)OCC(O)CO d7ccb807ab980039fdaaecfc9cb885a6 [0,1,0,0,0,1|0,0,2]=4 431 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CC 90caac46f29d029cf8f84540a49887d7 [0,1,0,0,0,1|1,0,1]=4 432 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)OC b7bc10f76269929a5a130491a60e955c [0,1,0,0,0,1|0,0,2]=4 433 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CO 8195042216c823b70d2be9098eae0f25 [0,1,0,0,0,1|0,0,2]=4 434 B13R0.1052 C=CC(CCCCC)OC[C@H](C)CC 06b636dc1b7b8eef1d9da3f25701b85f [0,1,0,0,0,1|1,0,1]=4 435 B13R0.1052 C=CC(CCCCC)OC[C@H](C)OC d41b70981bb03b67721265aef07c9a72 [0,1,0,0,0,1|0,0,2]=4 436 B13R0.1052 C=CC(CCCCC)OC[C@H](O)CO cd22bb29763605b12881724796ee75b9 [0,1,0,0,0,1|0,0,2]=4 437 B13R0.1052 C=C[C@H](CCCCC)OC/C(=C/Cl)/Cl 56188bc468176a23a5231f1cae8dbf1a [0,1,0,0,0,1|1,0,1]=4 438 B13R0.1052 C=C[C@H](CCCCC)OCC(=C)C#N fdc5756dfe1bc29a690656f5f1216140 [0,1,0,0,0,1|1,0,1]=4 439 B13R0.1052 C=C[C@H](CCCCC)OCC(=C)CC f9c230192c288caaa8c853679b3d6762 [0,1,0,0,0,1|1,0,0]=3 440 B13R0.1052 C=C[C@H](CCCCC)OCC(=C)OC 7e1261c55048525b3309f516a04fba8d [0,1,0,0,0,1|1,0,0]=3 441 B13R0.1052 C=C[C@H](CCCCC)OCC(=O)CC c66a1291fd98d60976e39904f5081451 [0,1,0,0,0,1|0,0,0]=2 442 B13R0.1052 C=C[C@H](CCCCC)OCC(=O)NC d78f308f37dba89b111bcc9ebf220e5f [0,1,0,0,0,1|0,0,0]=2 443 B13R0.1052 C=C[C@H](CCCCC)OCC(=O)OC 0a7902661b9a4837163106d55c01e11f [0,1,0,0,0,1|0,0,0]=2 444 B13R0.1052 C=C[C@H](CCCCC)OCC(C)C#N c065e2b87de5524e3dfc948854a4c8ae [0,1,0,0,0,1|1,0,1]=4 445 B13R0.1052 C=C[C@H](CCCCC)OCC(C)CC cfdd830d673af27e23c39f018af1bf5a [0,1,0,0,0,1|1,0,1]=4 446 B13R0.1052 C=C[C@H](CCCCC)OCC(C)OC 890e7d2fcdb42913b39a66fdb06a7303 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C=C[C@H](CCCCC)OC(C)COC ae69ba1711b932c112ac2965057ffb09 [0,2,0,0,0,0|0,0,2]=4 522 B13R0.62 C=CC(CCCCCCC)OC(C)C e0951e07a0a1c5154dba4c6f790105e7 [0,2,0,0,0,0|1,0,1]=4 523 B13R0.155 C=CCC(CC(=O)O)NCCCCC a45e0bec38e08e8ea2fbb9f7b591d672 [0,2,0,0,0,0|2,0,0]=4 524 B13R0.142 C=CCNC(CCCCC)CC(=O)O 0db4cd470ad2f73be2f5916a828dc67f [0,2,0,0,0,0|2,0,0]=4 525 B13R0.142 C=CCOC(CCCCC)CC(=O)O 192e6b7d84dfda8f0c4ae9c0a5edc130 [0,2,0,0,0,0|2,0,0]=4 526 B13R0.142 C=CCO[C@@H](CCCCC)CC(=O)O d6da2deaa90c4ab68783100feed3c97d [0,2,0,0,0,0|2,0,0]=4 527 B13R0.142 C=CCO[C@H](CCCCC)CC(=O)O eb3451e6076ee4e38f390a6d48635075 [0,2,0,0,0,0|2,0,0]=4 528 B13R0.142 CCCCCC(/C=C/C=O)OC(C)C 928721ff216a60c0fb84045d9dbcffb4 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.27 CCCCOC1C=CC(=O)O1 8de5a6aabb96fa2068f232a13afea463 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [1,0,0,1,0,0|1,0,1]=4 531 B11R1.27 CCCOCC1C=CC(=O)O1 9dadb827d673d8628bb482617f675d16 [1,0,0,1,0,0|1,0,1]=4 532 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.27 CCCOC[C@@H]1C=CC(=O)O1 7531c118a29ea18e38da49b72ee790bd [1,0,0,1,0,0|1,0,1]=4 534 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [1,0,0,1,0,0|1,0,1]=4 535 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.77 CC(=O)NC(C)C1CCCC1 c960b6f043c3790824ae164342defbdd [1,0,0,1,0,0|1,0,1]=4 537 B11R1.106 CC(=O)OC(C)NC1CC1C fd6ddd69b4f2ffdaf0705f28c47fc3e3 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.120 CCCN1CC(C1)OC(=O)C 576e883b51093b9ce49a1ea64d716db0 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.120 CCO[C@H]1C[C@@H](C1)OC(=O)C 7c520257933465636a41639494d881ef [1,0,0,1,0,0|1,0,1]=4 540 B11R1.120 CCO[C@H]1C[C@H](C1)OC(=O)C b9d3c569559cb63147c4023eb6374eec [1,0,0,1,0,0|1,0,1]=4 541 B11R1.143 CC(=O)N1CCCCCC1C 0b0f11c018b77ceb673643adf08c2408 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.156 CC(=O)N1C(CCCC1C)C e3ddc20fca7abf930df37197e912209e [1,0,0,1,0,0|1,0,1]=4 543 B11R1.156 CC(=O)N1[C@@H](CCC[C@@H]1C)C 8fbb1fc2a2805f8807161bd12d817e35 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.156 CC(=O)N1[C@@H](CCC[C@H]1C)C 4c766700d5d155de540a0e0357e2c58f [1,0,0,1,0,0|1,0,1]=4 545 B11R1.156 CC(=O)N1[C@H](CCC[C@@H]1C)C 8a7b81d6235806aa04678caf329dc652 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.157 CC(=O)NC1CCCC(C1)C 2210d24c85aacb9ca5ad7d0be5468509 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.157 CC(=O)N[C@@H]1CCC[C@H](C1)C 71f4655f46cf4d4862a6cce1470e6ac9 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.484 CC(=O)OC(C)NC1CCC1 5ed65b195c4e1d11cf5e3bedf70612ed [1,0,0,1,0,0|1,0,1]=4 549 B11R1.484 CC(=O)OC(C)OC1CCC1 8e6594cc9be53a3a5bebe04b561a9c26 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.485 CC(=O)OC(C)NCC1CC1 b07ea738f494592886e4228e5c3aafcb [1,0,0,1,0,0|1,0,1]=4 551 B11R1.485 CC(=O)OC(C)OCC1CC1 c4850bda3f7ab3439f62a036cc19c7b3 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.742 CC(=O)NC1CCCCCC1 980c21986259e09356273dbf1a23f9df [1,0,0,1,0,0|1,0,1]=4 553 B11R1.5 CCOC1CCCCCC1=O 6f512a9e711095b873eeb84a2a48b1a3 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.117 CCNC1/C=C\CCCCC1 d336d57c3ba520e6ee9fd53bada66f35 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [1,0,0,1,0,0|0,0,1]=3 556 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [1,0,0,1,0,0|0,0,1]=3 557 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [1,0,0,1,0,0|0,0,1]=3 558 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [1,0,0,1,0,0|0,0,1]=3 559 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [1,0,0,1,0,0|0,0,1]=3 560 B11R1.117 FCOC1/C=C/CCCCC1 14e6a379d03c086a4ea82900e267a8df [1,0,0,1,0,0|1,0,1]=4 561 B11R1.117 FCOC1/C=C\CCCCC1 a5f0fee61b6c3cb202ffcc81ce2db7df [1,0,0,1,0,0|1,0,1]=4 562 B11R1.117 FCOC1C=CCCCCC1 d04bfe3f626e598505760b8fca8f78ee [1,0,0,1,0,0|1,0,1]=4 563 B11R1.117 FCO[C@H]1/C=C/CCCCC1 5af450eb2c5d32e7478e75ab1b36caeb [1,0,0,1,0,0|1,0,1]=4 564 B11R1.117 FCO[C@H]1/C=C\CCCCC1 b15eb6b9fe654cf0e1dfb511bf9a6797 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [1,0,0,1,0,0|1,0,0]=3 566 B11R1.53 CC(=O)N1CCCCC1C=O 1e508aada5a544ca995ccc3fdcbb7586 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.319 C=CC(CCCC)OC1CC1 c7e626d24e781cfb649a05bc8fb71c16 [1,0,0,1,0,0|1,0,1]=4 568 B11R1.124 CCNC1C=CC(C1)C(=O)O 932010c26a1bdff845c050bd1316bb1d [0,0,0,1,1,0|2,0,0]=4 569 B11R1.124 CCN[C@@H]1C=C[C@@H](C1)C(=O)O d8da67db7f8c2fc5d276eab728546224 [0,0,0,1,1,0|2,0,0]=4 570 B11R1.124 CCN[C@H]1C=C[C@H](C1)C(=O)O 763bc8a612942caa790efff5c84ea67a [0,0,0,1,1,0|2,0,0]=4 571 B11R1.1016 C=CC(NC1CCC1)C(=O)O 3621bd80f2cc598a47d540730599df3f [0,0,0,1,1,0|2,0,0]=4 572 B11R1.1016 C=C[C@H](NC1CCC1)C(=O)O fc1c123eb9bf33d43fc3ff5b7382365a [0,0,0,1,1,0|2,0,0]=4 573 B11R1.1017 C=CC(NCC1CC1)C(=O)O 599add0664dcda0cdcfdff4c25eecb05 [0,0,0,1,1,0|2,0,0]=4 574 B11R1.1017 C=C[C@H](NCC1CC1)C(=O)O c47c09d222f3fe1dcf8a9abbaebc3a5b [0,0,0,1,1,0|2,0,0]=4 575 B13R1.280 C=C(C)COC1CCCCCC1=O 3720f8b0dc4a1878a9441ac1d2d83856 [0,0,0,1,0,1|2,0,0]=4 576 B13R1.280 CC(=O)CNC1CCCCCC1=O 0cfb55676068011481ff22f04b296430 [0,0,0,1,0,1|2,0,0]=4 577 B13R1.280 CC(=O)COC1CCCCNC1=O c01031c4c114cc94f79a7ff33a7630f0 [0,0,0,1,0,1|2,0,0]=4 578 B13R1.280 NC(=O)COC1CCCCCC1=O 552abd678f0cb9a1564987cef78bc535 [0,0,0,1,0,1|2,0,0]=4 579 B13R1.280 O=C(O)COC1CCCCCC1=O 1fe90659c5161d0c642945ff599c47c9 [0,0,0,1,0,1|2,0,0]=4 580 B13R1.658 CCCCNc1ccc(o1)C(=O)C 817b4453007d326e0d007b880c71bb16 [0,0,0,1,0,1|1,0,1]=4 581 B13R1.1022 C=C(Br)COC1/C=C/CCCCC1 f9c24cc8e16e886071e11c321d9570e1 [0,0,0,1,0,1|1,0,1]=4 582 B13R1.1022 C=C(Br)COC1/C=C\CCCCC1 5666d270101ecd5d3bd5fbbb850cec85 [0,0,0,1,0,1|1,0,1]=4 583 B13R1.1022 C=C(Br)COC1C=CCCCCC1 d58b5001467e31decd2e4a888909b2fa [0,0,0,1,0,1|1,0,1]=4 584 B13R1.1022 C=C(Br)CO[C@H]1/C=C/CCCCC1 a42b9c2af80a0b5baa8e4c5e99514401 [0,0,0,1,0,1|1,0,1]=4 585 B13R1.1022 C=C(Br)CO[C@H]1/C=C\CCCCC1 7f2a2b1d9825741c19a4c4e100c744d6 [0,0,0,1,0,1|1,0,1]=4 586 B13R1.1022 C=C(C)CNC1/C=C\CCCCC1 c36aeac0e8cfa2698eb59cdce5830816 [0,0,0,1,0,1|2,0,0]=4 587 B13R1.1022 C=C(C)COC1/C=C/CCCCC1 0c97929ff69d931d4d2720678f420c52 [0,0,0,1,0,1|1,0,0]=3 588 B13R1.1022 C=C(C)COC1/C=C\CCCCC1 36b5afc60bd007bc3c2a4e192fef4271 [0,0,0,1,0,1|1,0,0]=3 589 B13R1.1022 C=C(C)COC1C=CCCCCC1 f0cf9abb27ff893c166c55c29f108394 [0,0,0,1,0,1|1,0,0]=3 590 B13R1.1022 C=C(C)CO[C@H]1/C=C/CCCCC1 6d7688ec8ff6e74d112fa6570f759df1 [0,0,0,1,0,1|1,0,0]=3 591 B13R1.1022 C=C(C)CO[C@H]1/C=C\CCCCC1 281feeb1b42c0cbc5466909a4aa1e4fa [0,0,0,1,0,1|1,0,0]=3 592 B13R1.1022 C=C(Cl)COC1/C=C/CCCCC1 8897451eb3a7a9f6b288a755b52b3133 [0,0,0,1,0,1|1,0,1]=4 593 B13R1.1022 C=C(Cl)COC1/C=C\CCCCC1 d63e68b5b6a46a923fc90a7732740c48 [0,0,0,1,0,1|1,0,1]=4 594 B13R1.1022 C=C(Cl)COC1C=CCCCCC1 017b12d950f06f7b8befeecf605a7edf [0,0,0,1,0,1|1,0,1]=4 595 B13R1.1022 C=C(Cl)CO[C@H]1/C=C/CCCCC1 d4337ea1551f3355765432aa76440a37 [0,0,0,1,0,1|1,0,1]=4 596 B13R1.1022 C=C(Cl)CO[C@H]1/C=C\CCCCC1 41b33c00c34691eebf9c88df905a34b0 [0,0,0,1,0,1|1,0,1]=4 597 B13R1.1022 C=C(F)COC1/C=C/CCCCC1 de0eb42089d211770c951ad41bd6ac57 [0,0,0,1,0,1|1,0,1]=4 598 B13R1.1022 C=C(F)COC1/C=C\CCCCC1 86b4fbe8e121aa954425436988cf3bcc [0,0,0,1,0,1|1,0,1]=4 599 B13R1.1022 C=C(F)COC1C=CCCCCC1 6ba5f6bf93767ebe2d9a8847635a653d [0,0,0,1,0,1|1,0,1]=4 600 B13R1.1022 C=C(F)CO[C@H]1/C=C/CCCCC1 9bb887fcb898755b6f29e20231e1ea13 [0,0,0,1,0,1|1,0,1]=4 601 B13R1.1022 C=C(F)CO[C@H]1/C=C\CCCCC1 f43271758a33842e28bfde142b75e922 [0,0,0,1,0,1|1,0,1]=4 602 B13R1.1022 CC(C)COC1/C=C/CCCCC1 d4913528877c26b923be1459cd3891db [0,0,0,1,0,1|1,0,1]=4 603 B13R1.1022 CC(C)COC1/C=C\CCCCC1 77d32ea3da02696545d2a36a19b262f5 [0,0,0,1,0,1|1,0,1]=4 604 B13R1.1022 CC(C)COC1C=CCCCCC1 6848fa2c735f166c313fa61e798c6dcb [0,0,0,1,0,1|1,0,1]=4 605 B13R1.1022 CC(C)CO[C@H]1/C=C/CCCCC1 9aa2615102c41cde5860657a9de37a0d [0,0,0,1,0,1|1,0,1]=4 606 B13R1.1022 CC(C)CO[C@H]1/C=C\CCCCC1 c52a80288395a34fb5dee35a7c13d9b3 [0,0,0,1,0,1|1,0,1]=4 607 B13R1.1022 CN(C)COC1/C=C/CCCCC1 b6d7ef4d62fc2d84baf39288427b7c1c [0,0,0,1,0,1|2,0,0]=4 608 B13R1.1022 CN(C)COC1/C=C\CCCCC1 0a49e77ee217322aba74cc3ec5428624 [0,0,0,1,0,1|2,0,0]=4 609 B13R1.1022 CN(C)COC1C=CCCCCC1 a3d4c36d5ec382157fe90b05ce52fb3e [0,0,0,1,0,1|2,0,0]=4 610 B13R1.1022 CN(C)CO[C@H]1/C=C/CCCCC1 a31eb56f727a546d0ffedcc43e62348e [0,0,0,1,0,1|2,0,0]=4 611 B13R1.1022 CN(C)CO[C@H]1/C=C\CCCCC1 00c90deba5cf042435d29cbbfc533ab8 [0,0,0,1,0,1|2,0,0]=4 612 B13R1.1022 NC(=O)CNC1/C=C\CCCCC1 11d803575a8f923bea232f27d15a20a8 [0,0,0,1,0,1|2,0,0]=4 613 B13R1.1022 NC(=O)COC1/C=C/CCCCC1 960f28f2ff352b31dcef595c9b11d1d9 [0,0,0,1,0,1|1,0,0]=3 614 B13R1.1022 NC(=O)COC1/C=C\CCCCC1 690fb7e111fd030b999b1eb6383839d3 [0,0,0,1,0,1|1,0,0]=3 615 B13R1.1022 NC(=O)COC1C=CCCCCC1 58d04b752dc8d71b8fb6d6a604a5f6d0 [0,0,0,1,0,1|1,0,0]=3 616 B13R1.1022 NC(=O)CO[C@H]1/C=C/CCCCC1 b68c9023f3b0ef770d488edd2d74ac91 [0,0,0,1,0,1|1,0,0]=3 617 B13R1.1022 NC(=O)CO[C@H]1/C=C\CCCCC1 eb9258e44a7465ede6abcf06ede83bdf [0,0,0,1,0,1|1,0,0]=3 618 B13R1.1022 O=C(O)CNC1/C=C\CCCCC1 b1415fa045cec872cf795385676c0d12 [0,0,0,1,0,1|2,0,0]=4 619 B13R1.1022 O=C(O)COC1/C=C/CCCCC1 01693e763adc930b7fdd8e91a74327bd [0,0,0,1,0,1|1,0,0]=3 620 B13R1.1022 O=C(O)COC1/C=C\CCCCC1 aa2f7f72dced4f78ac59d58de3ca6d63 [0,0,0,1,0,1|1,0,0]=3 621 B13R1.1022 O=C(O)COC1C=CCCCCC1 2a09f1593141b32ba8f78a13bf23d032 [0,0,0,1,0,1|1,0,0]=3 622 B13R1.1022 O=C(O)CO[C@H]1/C=C/CCCCC1 1054ae3cb321e1ab1282ebb2f9e984a0 [0,0,0,1,0,1|1,0,0]=3 623 B13R1.1022 O=C(O)CO[C@H]1/C=C\CCCCC1 f158ca02d79dca2056cebc9ae5ce2b31 [0,0,0,1,0,1|1,0,0]=3 624 B13R1.1022 O=[N+]([O-])COC1/C=C/CCCCC1 473669c5a26e9c7cf549174cbc31d0ed [0,0,0,1,0,1|2,0,0]=4 625 B13R1.1022 O=[N+]([O-])COC1/C=C\CCCCC1 b3516bf4baeee8faea7feaab4462f7e7 [0,0,0,1,0,1|2,0,0]=4 626 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 52fcd3d46b45bcc916f0d082e8e703dd [0,0,0,1,0,1|2,0,0]=4 627 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C/CCCCC1 cc7e0291e534bf9d707c39a29dc60e72 [0,0,0,1,0,1|2,0,0]=4 628 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C\CCCCC1 e80b47048be6f6e6a0789a5110f96b05 [0,0,0,1,0,1|2,0,0]=4 629 B13R1.3401 C=CC(CCCCC)OCC1CC1 f0fbeb00660c70fd2a36f9c7d8928b36 [0,0,0,1,0,1|1,0,1]=4 630 B13R1.3401 C=C[C@H](CCCCC)OCC1CC1 146bd90ab2c8a4ffe8012c51f664f234 [0,0,0,1,0,1|1,0,1]=4 631 B13R1.283 CC(=O)NC1CCCCCNC1=O cdaea92e896b6419cdcce8722094ed4f [0,1,0,1,0,0|2,0,0]=4 632 B13R1.713 C=CC(OC(C)C)C1CCCCC1 6c196c810bc0c919600c8cc4a5e9f06f [0,1,0,1,0,0|1,0,1]=4 633 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 2d40099e8b036158d15a607ccce260d3 [0,1,0,1,0,0|2,0,0]=4 634 B13R1.527 C=C(C=O)OC1CCCCCC1=O f6d54d4c7fa6a124237320bb4dd917e5 [0,1,0,1,0,0|1,0,1]=4 635 B13R1.527 CC(C=O)OC1CCCCCC1=O 2aa3e347b0a32a15c9e0d7089375e05c [0,1,0,1,0,0|1,0,1]=4 636 B13R1.527 C[C@H](C=O)OC1CCCCCC1=O a6824bc9180b01f21a8c16f05634c766 [0,1,0,1,0,0|1,0,1]=4 637 B13R1.1870 C#CC(=O)NC1/C=C\CCCCC1 bc2ee4bd2ddf8a0121950c4fbccacdae [0,1,0,1,0,0|1,0,1]=4 638 B13R1.1870 C#CC(C)OC1/C=C/CCCCC1 83fb83a986128c8832e3c64a02c48d94 [0,1,0,1,0,0|1,0,1]=4 639 B13R1.1870 C#CC(C)OC1/C=C\CCCCC1 1fdac74873e99348e4709030a9a71dde [0,1,0,1,0,0|1,0,1]=4 640 B13R1.1870 C#CC(C)OC1C=CCCCCC1 872dfd2f73aaf3d8883295153bbc0d07 [0,1,0,1,0,0|1,0,1]=4 641 B13R1.1870 C#CC(C)O[C@H]1/C=C/CCCCC1 ccaf5fd8a462c62579b6062b61035888 [0,1,0,1,0,0|1,0,1]=4 642 B13R1.1870 C#CC(C)O[C@H]1/C=C\CCCCC1 71b202313abd2753f612792951f6e075 [0,1,0,1,0,0|1,0,1]=4 643 B13R1.1870 C=CC(=O)NC1/C=C\CCCCC1 ad7b16f9d52ed47a30984451b5310290 [0,1,0,1,0,0|1,0,1]=4 644 B13R1.1870 C=CC(C)OC1/C=C/CCCCC1 1b13413d8f39bc08bf5b48322983f22a [0,1,0,1,0,0|1,0,1]=4 645 B13R1.1870 C=CC(C)OC1/C=C\CCCCC1 94194ffde3d9884ac199fd2584b85134 [0,1,0,1,0,0|1,0,1]=4 646 B13R1.1870 C=CC(C)OC1C=CCCCCC1 e4071f9b9c879026115b967a4bfd0ba8 [0,1,0,1,0,0|1,0,1]=4 647 B13R1.1870 C=CC(C)O[C@H]1/C=C/CCCCC1 8eb7173abea23a24c9765bbc359b4f1a [0,1,0,1,0,0|1,0,1]=4 648 B13R1.1870 C=CC(C)O[C@H]1/C=C\CCCCC1 682b9f63bbbc8d9d2eeb440a61013b06 [0,1,0,1,0,0|1,0,1]=4 649 B13R1.1870 CC(C#N)OC1/C=C/CCCCC1 7bfe7e5b04038cc2b59396ae279578f7 [0,1,0,1,0,0|1,0,1]=4 650 B13R1.1870 CC(C#N)OC1/C=C\CCCCC1 33fe12e6c05e1282b2851e817bc6ae4c [0,1,0,1,0,0|1,0,1]=4 651 B13R1.1870 CC(C#N)OC1C=CCCCCC1 62303f7358927b0ac590e980771d8c4e [0,1,0,1,0,0|1,0,1]=4 652 B13R1.1870 CC(C#N)O[C@H]1/C=C/CCCCC1 826b6a8e1df71ef86cc61821e82d876f [0,1,0,1,0,0|1,0,1]=4 653 B13R1.1870 CC(C#N)O[C@H]1/C=C\CCCCC1 0abcebb7bdd50d7cafd751a6b9637577 [0,1,0,1,0,0|1,0,1]=4 654 B13R1.1870 CC(C=O)NC1/C=C\CCCCC1 ae645fef710e23f08eb530ad37d3c60e [0,1,0,1,0,0|1,0,1]=4 655 B13R1.1870 CC(C=O)OC1/C=C/CCCCC1 381dadcb490f182d96c2dd98472c25f5 [0,1,0,1,0,0|0,0,1]=3 656 B13R1.1870 CC(C=O)OC1/C=C\CCCCC1 8a5f578080ce6daf6ed6ff6f786354a4 [0,1,0,1,0,0|0,0,1]=3 657 B13R1.1870 CC(C=O)OC1C=CCCCCC1 0ec69628e646c0a06758ef7a0b177202 [0,1,0,1,0,0|0,0,1]=3 658 B13R1.1870 CC(C=O)O[C@H]1/C=C/CCCCC1 397c029e698d4ce092b77812f6a34b96 [0,1,0,1,0,0|0,0,1]=3 659 B13R1.1870 CC(C=O)O[C@H]1/C=C\CCCCC1 04c5cc9e17b029035aae65272be8e96c [0,1,0,1,0,0|0,0,1]=3 660 B13R1.1870 CCC(=O)NC1/C=C\CCCCC1 9c0e073e175f821bb009fe0f40badf5d [0,1,0,1,0,0|1,0,0]=3 661 B13R1.1870 CCC(C)OC1/C=C/CCCCC1 842186819e9e1f7c2166edcc959aab4d [0,1,0,1,0,0|1,0,1]=4 662 B13R1.1870 CCC(C)OC1/C=C\CCCCC1 d2a938b42ed9603b3a0fefd4582926c9 [0,1,0,1,0,0|1,0,1]=4 663 B13R1.1870 CCC(C)OC1C=CCCCCC1 7ce932d595b4b24658c7a2677c909e7d [0,1,0,1,0,0|1,0,1]=4 664 B13R1.1870 CCC(C)O[C@H]1/C=C/CCCCC1 a2b9fd8a92ec3389588d22fac6395bc2 [0,1,0,1,0,0|1,0,1]=4 665 B13R1.1870 CCC(C)O[C@H]1/C=C\CCCCC1 4470458bab507de6883b02ee445b4175 [0,1,0,1,0,0|1,0,1]=4 666 B13R1.1870 C[C@H](C=O)NC1/C=C\CCCCC1 bf87b0cb089727d56fa39f0000f9d449 [0,1,0,1,0,0|1,0,1]=4 667 B13R1.1870 C[C@H](C=O)OC1/C=C/CCCCC1 6d59e06dfd0f01981bd61a7a847ca747 [0,1,0,1,0,0|0,0,1]=3 668 B13R1.1870 C[C@H](C=O)OC1/C=C\CCCCC1 058af9fcfed5907ef15243151ff34a66 [0,1,0,1,0,0|0,0,1]=3 669 B13R1.1870 C[C@H](C=O)OC1C=CCCCCC1 e0fae8448da8771a2796202de2d94a5f [0,1,0,1,0,0|0,0,1]=3 670 B13R1.1870 C[C@H](C=O)O[C@H]1/C=C/CCCCC1 44cc851c64448865a5d2e39ed7c35ef2 [0,1,0,1,0,0|0,0,1]=3 671 B13R1.1870 C[C@H](C=O)O[C@H]1/C=C\CCCCC1 47f8edc3b8d038de9ac1cd26cb950ed0 [0,1,0,1,0,0|0,0,1]=3 672 B13R1.1870 O=C(CF)NC1/C=C\CCCCC1 5e65b8d1c8b3ab933615185132e662c2 [0,1,0,1,0,0|1,0,0]=3 673 B13R1.1870 O=C(CO)NC1/C=C\CCCCC1 66c1305b00fa4a88ad2fe33e71f1a742 [0,1,0,1,0,0|1,0,0]=3 674 B13R1.1870 O=CC(=O)NC1/C=C\CCCCC1 50c723462b5effe77ad44814b64f201d [0,1,0,1,0,0|1,0,1]=4 675 B13R1.3400 C=CC(CCCCC)OC1CCC1 673a29e67a8b75e8e56aaf148b1e2db5 [0,1,0,1,0,0|1,0,1]=4 676 B13R1.3400 C=CC(CCCCC)OC1COC1 40107d5e9814f572cf8654275b2c844d [0,1,0,1,0,0|0,0,2]=4 677 B13R1.3400 C=C[C@H](CCCCC)OC1CCC1 a641dac776cbdb690c91f6a523a835bb [0,1,0,1,0,0|1,0,1]=4 678 B13R1.3400 C=C[C@H](CCCCC)OC1COC1 8048fd12332b45e6fcd2a79b320117a1 [0,1,0,1,0,0|0,0,2]=4 679 B13R1.190 CCCCCOC1OC(=O)C=C1C 16c1ce4bc02bdb0a7bb59de23676450a [0,1,0,1,0,0|0,0,2]=4 680 B13R1.190 CCCCCOC1OC(=O)C=C1Cl a96a6692422f3abcbda043ffdfe2cb63 [0,1,0,1,0,0|1,0,1]=4 681 B13R1.190 CCCCCOC1OC(=O)CC1C 09b76732ba0d4545bbc8eb9b3e28d202 [0,1,0,1,0,0|0,0,2]=4 682 B13R1.498 C#CCOC1C=CC(C1)OC(=O)C ceacd3bcb6a78c01c0d0e57b2cb51df6 [0,1,0,1,0,0|0,0,2]=4 683 B13R1.498 C#CCO[C@@H]1C=C[C@@H](C1)OC(=O)C e1d7a57423f75e82773f2c9496e869d1 [0,1,0,1,0,0|0,0,2]=4 684 B13R1.498 C#CCO[C@H]1C=C[C@@H](C1)OC(=O)C 7f06130b6964b161c1ddd0977d6187cf [0,1,0,1,0,0|0,0,2]=4 685 B13R1.498 C#CCO[C@H]1C=C[C@H](C1)OC(=O)C 8d1a10ee7aa6b13748ecd33a9d193a40 [0,1,0,1,0,0|0,0,2]=4 686 B13R1.498 C=CCOC1C=CC(C1)OC(=O)C 9213e816dfd8ed6349638d58a069d4d3 [0,1,0,1,0,0|0,0,2]=4 687 B13R1.498 C=CCO[C@@H]1C=C[C@@H](C1)OC(=O)C 0564c0d4915d1d72b8dbe0dbf72272cd [0,1,0,1,0,0|0,0,2]=4 688 B13R1.498 C=CCO[C@H]1C=C[C@@H](C1)OC(=O)C 2d683493d419c718362a0779445374c1 [0,1,0,1,0,0|0,0,2]=4 689 B13R1.498 C=CCO[C@H]1C=C[C@H](C1)OC(=O)C bee3c94c7ae00161857671f1da7a46bc [0,1,0,1,0,0|0,0,2]=4 690 B13R1.498 CC(=O)OC1C=CC(C1)OCC#N f44509359e90b2a1abb56beeb5640cb0 [0,1,0,1,0,0|1,0,1]=4 691 B13R1.498 CC(=O)OC1C=CC(C1)OCC=O 03ee6951f6226bc73cb4f591c65a8996 [0,1,0,1,0,0|1,0,1]=4 692 B13R1.498 CC(=O)OC1C=CC(C1)OCCF 6ab1169a62dd9b98e552e64e3bff9520 [0,1,0,1,0,0|1,0,0]=3 693 B13R1.498 CC(=O)OC1C=CC(C1)OCCS 1153583a95d86beb87f0ee3e37611118 [0,1,0,1,0,0|1,0,0]=3 694 B13R1.498 CC(=O)O[C@@H]1C=C[C@@H](C1)OCC#N 434d8e5d014d1f6d7c493f82abe7fdd2 [0,1,0,1,0,0|1,0,1]=4 695 B13R1.498 CC(=O)O[C@@H]1C=C[C@@H](C1)OCC=O 823f7c3f0b558bde74b112bee2920470 [0,1,0,1,0,0|1,0,1]=4 696 B13R1.498 CC(=O)O[C@@H]1C=C[C@@H](C1)OCCF c416fa7d389ea0ddf0d178bca3d9b0fe [0,1,0,1,0,0|1,0,0]=3 697 B13R1.498 CC(=O)O[C@@H]1C=C[C@@H](C1)OCCS 1b6d13464b099df288daf361ba1ec8c7 [0,1,0,1,0,0|1,0,0]=3 698 B13R1.498 CC(=O)O[C@H]1C=C[C@@H](C1)OCC#N 00b70994c32a941f121853570e216cd0 [0,1,0,1,0,0|1,0,1]=4 699 B13R1.498 CC(=O)O[C@H]1C=C[C@@H](C1)OCC=O c5e542da3da88b69c272b71b483e273a [0,1,0,1,0,0|1,0,1]=4 700 B13R1.498 CC(=O)O[C@H]1C=C[C@@H](C1)OCCF 174e7c636804a2d130b899839dcd9911 [0,1,0,1,0,0|1,0,0]=3 701 B13R1.498 CC(=O)O[C@H]1C=C[C@@H](C1)OCCS 20e325f878224fd91e6f6c0f61f5c870 [0,1,0,1,0,0|1,0,0]=3 702 B13R1.498 CC(=O)O[C@H]1C=C[C@H](C1)OCC#N 7257d36e5406275a9534c81796641d9b [0,1,0,1,0,0|1,0,1]=4 703 B13R1.498 CC(=O)O[C@H]1C=C[C@H](C1)OCC=O f70ab33f05d95ac3dd7117094edcd869 [0,1,0,1,0,0|1,0,1]=4 704 B13R1.498 CC(=O)O[C@H]1C=C[C@H](C1)OCCF 707cd24203cea4a613bb7aa8a4cf622e [0,1,0,1,0,0|1,0,0]=3 705 B13R1.498 CC(=O)O[C@H]1C=C[C@H](C1)OCCS 35fa36be622fe097494371de07d03080 [0,1,0,1,0,0|1,0,0]=3 706 B13R1.498 CCCOC1C=CC(C1)OC(=O)C a5fe34505d69875e5a409ccfe20f6920 [0,1,0,1,0,0|0,0,0]=2 707 B13R1.498 CCCO[C@@H]1C=C[C@@H](C1)OC(=O)C 7f837b8903262532af969cd05a0baba8 [0,1,0,1,0,0|0,0,0]=2 708 B13R1.498 CCCO[C@H]1C=C[C@@H](C1)OC(=O)C 0a513356d91af339fc412546cfd7345e [0,1,0,1,0,0|0,0,0]=2 709 B13R1.498 CCCO[C@H]1C=C[C@H](C1)OC(=O)C 863e04332eea003ccc25e692cf9dd4b6 [0,1,0,1,0,0|0,0,0]=2 710 B13R1.498 COCOC1C=CC(C1)OC(=O)C c85690748374424a0bb6cb7f9f29d058 [0,1,0,1,0,0|1,0,0]=3 711 B13R1.498 COCO[C@@H]1C=C[C@@H](C1)OC(=O)C c308f26ab8d45e4f76e14d918e820cf8 [0,1,0,1,0,0|1,0,0]=3 712 B13R1.498 COCO[C@H]1C=C[C@@H](C1)OC(=O)C 55f0471f4ce3783a862761c003d52573 [0,1,0,1,0,0|1,0,0]=3 713 B13R1.498 COCO[C@H]1C=C[C@H](C1)OC(=O)C bc7c294cc2d3cdac9fa05ddaa1d815e6 [0,1,0,1,0,0|1,0,0]=3 714 B13R1.498 CSCOC1C=CC(C1)OC(=O)C fba57b317159412746278b33e1882ee2 [0,1,0,1,0,0|1,0,0]=3 715 B13R1.498 CSCO[C@@H]1C=C[C@@H](C1)OC(=O)C 8c9b05850d0ddb8c36cf97b6d1b186c1 [0,1,0,1,0,0|1,0,0]=3 716 B13R1.498 CSCO[C@H]1C=C[C@@H](C1)OC(=O)C 7de158dba9b7be99f952518fe0d22d96 [0,1,0,1,0,0|1,0,0]=3 717 B13R1.498 CSCO[C@H]1C=C[C@H](C1)OC(=O)C 35b65619fc810dfd0aa00515ef23e881 [0,1,0,1,0,0|1,0,0]=3 718 B13R1.641 CCN1CCCC(C1=O)NC(=O)C 459c7d4b24b252067381cf3351965f85 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.2937 C=CC(CCCCCC)OC1CC1 fb8ae3aff4a81d40332fee8e668a3ae9 [0,1,0,1,0,0|1,0,1]=4 720 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C ca8c9158777bfa5426dca9d5afff6aeb [0,1,0,1,0,0|2,0,0]=4 721 B13R1.3499 CC(=O)N[C@H]1CCCCN(C1=O)C 7cc5178cf72f0d50c6cf9c39b75dcd48 [0,1,0,1,0,0|2,0,0]=4 722 B13R1.2777 C=C=CC(CCCCC)OC1CC1 35d73095608ae1088316a440477a8f7e [0,1,0,1,0,0|1,0,1]=4 723 B13R1.2777 C=CCC(CCCCC)OC1CC1 f04e74706b6c2937cd5b4cdf900a3e3b [0,1,0,1,0,0|1,0,1]=4 724 B13R1.583 CC(=O)OC1C=CC(C1)OC(C)C 940599d6baa0a8bc6f11cdd9ab63d541 [0,1,0,1,0,0|1,0,0]=3 725 B13R1.583 CC(=O)O[C@@H]1C=C[C@@H](C1)OC(C)C ab9907efde06685b7beef2b9f2d54626 [0,1,0,1,0,0|1,0,0]=3 726 B13R1.583 CC(=O)O[C@H]1C=C[C@@H](C1)OC(C)C 86040bf806f05f2794aedcddeeb416ab [0,1,0,1,0,0|1,0,0]=3 727 B13R1.583 CC(=O)O[C@H]1C=C[C@H](C1)OC(C)C 92d4e6acf98089aa0ce1a8fd4f5136db [0,1,0,1,0,0|1,0,0]=3 728 B13R2.6839 C1=CC(CCCCC1)OC2CC2 01034aeeda4fd6b027c7b4e27e1a3b70 [0,0,0,2,0,0|1,0,1]=4 729 B13R2.6839 C\1=C/C(CCCCC1)OC2CC2 03ec14b243715f877fd27a810c46fd74 [0,0,0,2,0,0|1,0,1]=4 730 B13R2.6839 C\1=C/[C@@H](CCCCC1)OC2CC2 f6846e8049d40906540daffa94964cf8 [0,0,0,2,0,0|1,0,1]=4 731 B13R2.6839 C\1=C\C(CCCCC1)OC2CC2 9c6c04036ce697eb35ffee92f79ef3d4 [0,0,0,2,0,0|1,0,1]=4 732 B13R2.6839 C\1=C\[C@@H](CCCCC1)OC2CC2 1d97d6f617c1d37525b856ce4e5c479f [0,0,0,2,0,0|1,0,1]=4 733 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [1,0,0,0,1,0|1,0,1]=4 734 B9R0.47 CCCCNC(C)C(=O)C d47055cc2a147dbd562c227dbc7db49f [1,0,0,0,1,0|1,0,1]=4 735 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [1,0,0,0,1,0|1,0,1]=4 736 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [1,0,0,0,1,0|1,0,1]=4 737 B9R0.13 C=CC(NCCC)C(=O)O a2cd77405add7f9bda10928ee4ee78ab [1,0,0,0,1,0|2,0,0]=4 738 B9R0.13 C=C[C@H](NCCC)C(=O)O 9277832a0fa493055dd9f58c3067ce63 [1,0,0,0,1,0|2,0,0]=4 739 B11R0.46 C=C(C)COC(C)CCCCC 5f71ffe34a8da49aa1b10660377a3a7b [1,0,0,0,0,1|1,0,1]=4 740 B11R0.46 C=C(C)CO[C@@H](C)CCCCC 029736e522b1ff54daf75ccd32dc7b1c [1,0,0,0,0,1|1,0,1]=4 741 B11R0.46 C=C(C)CO[C@H](C)CCCCC 9a8fd0300f8e5446c2402737d59be034 [1,0,0,0,0,1|1,0,1]=4 742 B11R0.46 CCCCCC(C)NCC(=O)C 3b744ffccb982ef0751d36a0d377f99f [1,0,0,0,0,1|1,0,1]=4 743 B11R0.46 CCCCCC(C)OCC(=O)C f5ec04e321ea7339d1ec164595b99541 [1,0,0,0,0,1|0,0,1]=3 744 B11R0.46 CCCCCC(C)OCC(=O)N 336ac0942dad4ff0856fcbe92d51fa22 [1,0,0,0,0,1|1,0,1]=4 745 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,0,0,0,0,1|1,0,1]=4 746 B11R0.46 CCCCCN(C)COC(=O)C 7aef0cfad7b1fd0d5c94ec6ad216e34d [1,0,0,0,0,1|1,0,1]=4 747 B11R0.46 CCCCC[C@@H](C)OCC(=O)N 2a3d91aa30c42ab530bc4dd4180a19b7 [1,0,0,0,0,1|1,0,1]=4 748 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,0,0,0,0,1|1,0,1]=4 749 B11R0.46 CCCCC[C@H](C)NCC(=O)C 2180a0169e98281e3cac31743e458333 [1,0,0,0,0,1|1,0,1]=4 750 B11R0.46 CCCCC[C@H](C)OCC(=O)C 96ee3e27225025e413cc06c320c2b0ba [1,0,0,0,0,1|0,0,1]=3 751 B11R0.46 CCCCC[C@H](C)OCC(=O)N 89a03e1e6f0b96df48fdb0621fdf4258 [1,0,0,0,0,1|1,0,1]=4 752 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,0,0,0,0,1|1,0,1]=4 753 B11R0.46 CCCCOC(C)COC(=O)C e529f8a0c758092e8a3e7cbf9deefcd3 [1,0,0,0,0,1|1,0,1]=4 754 B11R0.46 CCCNCC(C)COC(=O)C bd8960aa2e081cb2ff9fe077094e1214 [1,0,0,0,0,1|1,0,1]=4 755 B11R0.46 CCCNCC(O)COC(=O)C f5059bec8b149deb7581e329e56bf159 [1,0,0,0,0,1|2,0,0]=4 756 B11R0.46 CCCOCC(C)COC(=O)C 92cfd9d356ad0ae9a6cdd4f2ab6bb355 [1,0,0,0,0,1|1,0,1]=4 757 B11R0.46 CCCOC[C@@H](C)COC(=O)C 916cbc264a611d88b2b79485849db793 [1,0,0,0,0,1|1,0,1]=4 758 B11R0.164 C=CC(CCCC)OCC(=C)Br 7542284a67a3038cec4b6355ff7f4853 [1,0,0,0,0,1|1,0,1]=4 759 B11R0.164 C=CC(CCCC)OCC(=C)C bb14065546273140cf245f567ea971a3 [1,0,0,0,0,1|1,0,0]=3 760 B11R0.164 C=CC(CCCC)OCC(=C)Cl 66c8f3a2039ac066351a93b45bd1ab67 [1,0,0,0,0,1|1,0,1]=4 761 B11R0.164 C=CC(CCCC)OCC(=C)F 6e87ef0764cbfd42a6da68bee8f8f06b [1,0,0,0,0,1|1,0,1]=4 762 B11R0.164 C=CC(CCCC)OCC(=O)N 25c15bcd631f1442a9c2fc0a873303dc [1,0,0,0,0,1|1,0,0]=3 763 B11R0.164 C=CC(CCCC)OCC(=O)O 21b499b5330ca5eea066443100897b22 [1,0,0,0,0,1|1,0,0]=3 764 B11R0.164 C=CC(CCCC)OCC(C)C 853f5ec343da425b62ede1633be6ce6c [1,0,0,0,0,1|1,0,1]=4 765 B11R0.164 C=CC(CCCC)OCN(C)C e9e864294650b9b7c19e4279f8e06732 [1,0,0,0,0,1|2,0,0]=4 766 B11R0.164 C=CC(CCCC)OC[N+](=O)[O-] 3dbe9c7f6d1f75041f7faef4f817e0b4 [1,0,0,0,0,1|2,0,0]=4 767 B11R0.164 CCCCC(CC)OCC(=O)C 8f292c4a5463fb2df01179e4439b4051 [1,0,0,0,0,1|0,0,2]=4 768 B13R0.153 C#CC(CCCCC)OCCC(=O)C 71ce8ce8d8fdf5b2398ee996b5502e1c [0,0,0,0,0,2|0,0,2]=4 769 B13R0.153 C#CC(CCCCC)OCOC(=O)C 1c0ba48fd957c000909c8777f25c69b4 [0,0,0,0,0,2|0,0,2]=4 770 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)C b9c5e90274b65e0fa77eb80649cfa1fc [0,0,0,0,0,2|0,0,2]=4 771 B13R0.153 C#C[C@H](CCCCC)OCOC(=O)C 26b347755263142905c579e4d2930d8d [0,0,0,0,0,2|0,0,2]=4 772 B13R0.153 C=CC(CCCCC)OC/C=C(/C)\I 110f3e207fcdb9c6c0afaaf64467a7be [0,0,0,0,0,2|1,0,0]=3 773 B13R0.153 C=CC(CCCCC)OC/C=C(\C)/Cl 0479396f9f2facec2fd319d97219df91 [0,0,0,0,0,2|1,0,0]=3 774 B13R0.153 C=CC(CCCCC)OCC=C(C)C d008ea9e554a5078566144136c86de7e [0,0,0,0,0,2|1,0,0]=3 775 B13R0.153 C=CC(CCCCC)OCC=C(C)Cl 431187b4054466564fefbb86f7aec572 [0,0,0,0,0,2|1,0,0]=3 776 B13R0.153 C=CC(CCCCC)OCC=C(C)I b5561767e58a031121bd4a2336d1e13c [0,0,0,0,0,2|1,0,0]=3 777 B13R0.153 C=CC(CCCCC)OCC=C(Cl)Cl d0e5eda8a77b7a13d22a4c2a9fdc5be9 [0,0,0,0,0,2|2,0,0]=4 778 B13R0.153 C=CC(CCCCC)OCCC(=C)C 0159ec84b4ac4b21a52d63d7b2193db9 [0,0,0,0,0,2|1,0,0]=3 779 B13R0.153 C=CC(CCCCC)OCCC(=O)C 357406475c1f66990f3382765bb7d708 [0,0,0,0,0,2|0,0,0]=2 780 B13R0.153 C=CC(CCCCC)OCCC(=O)N 58673ce35e872ce66fabc33cf10e7bb9 [0,0,0,0,0,2|1,0,0]=3 781 B13R0.153 C=CC(CCCCC)OCCC(=O)O 1850a873783a6130f2367cf23bbef23f [0,0,0,0,0,2|1,0,0]=3 782 B13R0.153 C=CC(CCCCC)OCCC(C)C d41910f269cbedc9dce88fee65f09118 [0,0,0,0,0,2|1,0,1]=4 783 B13R0.153 C=CC(CCCCC)OCCN(C)C d32878a72e9242c290093a7ee6e5607c [0,0,0,0,0,2|2,0,0]=4 784 B13R0.153 C=CC(CCCCC)OCCS(=O)C 829ecdedfd4829ac698fffc3dbad421f [0,0,0,0,0,2|1,0,0]=3 785 B13R0.153 C=CC(CCCCC)OCOC(=O)C b80a06e10c2bd7fbf5608395d635a881 [0,0,0,0,0,2|0,0,0]=2 786 B13R0.153 C=CC(CCCCC)OCOC(C)C 49310c38a1e61e007743ca20137e7c9d [0,0,0,0,0,2|1,0,1]=4 787 B13R0.153 C=CC(CCCCC)OCSC(=O)N c0baf0f89c17def7a27b12b7cc06e71c [0,0,0,0,0,2|1,0,0]=3 788 B13R0.153 C=C[C@H](CCCCC)OC/C=C(/C)\I f07270426292131a7ebe494944dac2c3 [0,0,0,0,0,2|1,0,0]=3 789 B13R0.153 C=C[C@H](CCCCC)OC/C=C(\C)/Cl 0fda5b5750fff736c8ff8de2da1dfc70 [0,0,0,0,0,2|1,0,0]=3 790 B13R0.153 C=C[C@H](CCCCC)OCC=C(C)C 15bcb55a28342fc89e2405807d848127 [0,0,0,0,0,2|1,0,0]=3 791 B13R0.153 C=C[C@H](CCCCC)OCC=C(C)Cl 4998f366c96cf5160b35fddd4565fe63 [0,0,0,0,0,2|1,0,0]=3 792 B13R0.153 C=C[C@H](CCCCC)OCC=C(C)I 731d3a8b7b8eecdd0038f3e03a699076 [0,0,0,0,0,2|1,0,0]=3 793 B13R0.153 C=C[C@H](CCCCC)OCC=C(Cl)Cl 42466878792d679687f668f5f0ba4199 [0,0,0,0,0,2|2,0,0]=4 794 B13R0.153 C=C[C@H](CCCCC)OCCC(=C)C a7da4f22a19fc7f80859ff60b8d7942d [0,0,0,0,0,2|1,0,0]=3 795 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)C 1c7a1899f2289fed9882fac19098774e [0,0,0,0,0,2|0,0,0]=2 796 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)N 1c8b93686cc265a9a2a91f49b876e472 [0,0,0,0,0,2|1,0,0]=3 797 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)O ceb248694a07a64c293eac2dac775c9a [0,0,0,0,0,2|1,0,0]=3 798 B13R0.153 C=C[C@H](CCCCC)OCCC(C)C 11e94b6d2a62c53cd85eba0cdd25b296 [0,0,0,0,0,2|1,0,1]=4 799 B13R0.153 C=C[C@H](CCCCC)OCCN(C)C bf728c9521c4eb0ee2694c5801dd1fe1 [0,0,0,0,0,2|2,0,0]=4 800 B13R0.153 C=C[C@H](CCCCC)OCCS(=O)C f9076401ac3887a03b9d2d9aaaff00b9 [0,0,0,0,0,2|1,0,0]=3 801 B13R0.153 C=C[C@H](CCCCC)OCOC(=O)C 534bf0da52257a1e205ae3e4db4fad84 [0,0,0,0,0,2|0,0,0]=2 802 B13R0.153 C=C[C@H](CCCCC)OCOC(C)C d8a833dd709cfcdcdc5a13cb650c7ee1 [0,0,0,0,0,2|1,0,1]=4 803 B13R0.153 C=C[C@H](CCCCC)OCSC(=O)N 6d48840ed94c7bdcfad3a8c70f44f0ca [0,0,0,0,0,2|1,0,0]=3 804 B13R0.153 CCCCCC(CC)OCCC(=O)C 0de8af565fcba2577fc6b13ee735274a [0,0,0,0,0,2|0,0,2]=4 805 B13R0.153 CCCCCC(CC)OCOC(=O)C ccdd901c7207e15f66b71d30d80ff19e [0,0,0,0,0,2|0,0,2]=4 806 B13R0.153 CCCCC[C@H](CC)OCCC(=O)C 0e58fd9cfcbedc3be729d1385c451a12 [0,0,0,0,0,2|0,0,2]=4 807 B13R0.153 CCCCC[C@H](CC)OCOC(=O)C 2969143bbde0f9ad125e713e2b49b60f [0,0,0,0,0,2|0,0,2]=4