0 B10R0.15 C/C(=C/CNCS(=O)(=O)O)/I a139d1629049f40b26941de8d19709f5 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.15 C/C(=C/COCS(=O)(=O)C)/Cl 39b6470dd9faac15c6094600e8a2255a [0,0,0,0,0,0|4,0,0]=4 2 B10R0.15 C/C(=C/COCS(=O)(=O)C)/I f2857e97fa17b603d29b1b76beac4d86 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.15 C/C(=C/COCS(=O)(=O)N)/Cl b1e1696275e09e38c8f0ca3773ecc27f [0,0,0,0,0,0|4,0,0]=4 4 B10R0.15 C/C(=C/COCS(=O)(=O)N)/I 84cb849575de3e9a55affef7ed8db543 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.15 C/C(=C/COCS(=O)(=O)O)/Cl ff795b8ac76e1e18934ed904fd83f602 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.15 C/C(=C/COCS(=O)(=O)O)/I ebe8a401c735246c95e1b1fc9081d2a3 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.15 C/C(=C\CNCS(=O)(=O)O)/Cl 9db703d4b726c7140ab4f2b1500b22b8 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.15 C=C(Br)CNCCS(=O)(=O)O 8860d356bac1d844e52674525962a66d [0,0,0,0,0,0|3,0,1]=4 9 B10R0.15 C=C(Br)COCCS(=O)(=O)O 0fc850f9d109bf8ea0aaec0edfc54a16 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.15 C=C(C)CCNCS(=O)(=O)C b523eeba2373b2739d16475f8940d647 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.15 C=C(C)CCNCS(=O)(=O)O 3860448854ccbf626b9a781927745979 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.15 C=C(C)CCOCS(=O)(=O)C 409406b68913704eb866e8bc5ed3d902 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.15 C=C(C)CNCCS(=O)(=O)C 5ee882b8bbcb7e34a5cf5b1e8b645909 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.15 C=C(C)CNCCS(=O)(=O)N a3558341802abd0637612cb0f68171b9 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.15 C=C(C)CNCCS(=O)(=O)O aa04a28b56ed703e867d6237ea25dc3d [0,0,0,0,0,0|3,0,0]=3 16 B10R0.15 C=C(C)COCCS(=O)(=O)C 90685629bc58adab21aa1c2f21b1cbfe [0,0,0,0,0,0|4,0,0]=4 17 B10R0.15 C=C(C)COCCS(=O)(=O)N 3400abf3432a836860c38ae84cc2c699 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.15 C=C(C)COCCS(=O)(=O)O 149ce96f09e132579b1067f526dfe3a9 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.15 C=C(Cl)CNCCS(=O)(=O)O bfd756311139c21b19e52d13ffd59201 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.15 C=C(Cl)COCCS(=O)(=O)O 5828fa3dc49f35df43aae6ed3e80b8cd [0,0,0,0,0,0|3,0,1]=4 21 B10R0.15 C=C(F)CNCCS(=O)(=O)O 01d6edcfd8ceef50a0d8a57dc9349809 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.15 C=C(F)COCCS(=O)(=O)O 60915f5f7536433f03d2ec84d33f0eb8 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.15 C=C(I)COCCS(=O)(=O)O fab7fe859afec789d4307c9490ab1e8d [0,0,0,0,0,0|3,0,1]=4 24 B10R0.15 CC(=CCNCS(=O)(=O)C)C 37e79cb894e3abc8352352972de82a56 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.15 CC(=CCNCS(=O)(=O)N)C 874fc1f5646993062d42fe494dd20bf5 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.15 CC(=CCNCS(=O)(=O)O)C 2e2125630b38e318e3cb80a66c3d1bb2 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.15 CC(=CCNCS(=O)(=O)O)Cl 31c81587df6819c90fde7d52ad6c4921 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.15 CC(=CCNCS(=O)(=O)O)I eb30defdb44a433a645d8a9cbf8b5f72 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.15 CC(=CCOCS(=O)(=O)C)C db26e8bcef32892563a77c9324786f0f [0,0,0,0,0,0|4,0,0]=4 30 B10R0.15 CC(=CCOCS(=O)(=O)C)I 25fa5999011fd34e133488226ea2ce66 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.15 CC(=CCOCS(=O)(=O)N)C ddf61fb7dcc22e9b3f7f710803369b9b [0,0,0,0,0,0|4,0,0]=4 32 B10R0.15 CC(=CCOCS(=O)(=O)N)I 6bbf34f7ae6d44af866e20f593823b23 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.15 CC(=CCOCS(=O)(=O)O)C 0f653e88b0e52976e68dfc045b4bd4ab [0,0,0,0,0,0|3,0,0]=3 34 B10R0.15 CC(=CCOCS(=O)(=O)O)I 33f9154214e8f6c1ef7ba670e8263dc4 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.15 CC(=O)CCNCS(=O)(=O)O b1b822a0630d89525f55576799aae643 [0,0,0,0,0,0|2,0,0]=2 36 B10R0.15 CC(=O)CCOCS(=O)(=O)C 637f4921559aaa87b89a9b4f35b9397a [0,0,0,0,0,0|3,0,0]=3 37 B10R0.15 CC(=O)CNCCS(=O)(=O)C c5a7e5537919942de62b0eea52631043 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.15 CC(=O)CNCCS(=O)(=O)O c38670cc7542232b49ac35f16a8b1d42 [0,0,0,0,0,0|2,0,0]=2 39 B10R0.15 CC(=O)CNCOS(=O)(=O)Cl 9183a49041862499477a76e1dd7b895d [0,0,0,0,0,0|4,0,0]=4 40 B10R0.15 CC(=O)COCCS(=O)(=O)C 5874004abf502611182234dfc642610a [0,0,0,0,0,0|3,0,0]=3 41 B10R0.15 CC(=O)COCCS(=O)(=O)O 4fcaddb14ab04a9b82c004fcd2fa5688 [0,0,0,0,0,0|2,0,0]=2 42 B10R0.15 CC(=O)COCOS(=O)(=O)Cl 3e546541c1b062e0b28117feab94498c [0,0,0,0,0,0|4,0,0]=4 43 B10R0.15 CC(=O)NCCCC(C)(C)C d6d3a7a4246448c7611d487a86dadd78 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.15 CC(=O)NCCCC(C)(C)O 98f71e60a00650b912dd3cad9a4fe887 [0,0,0,0,0,0|3,0,0]=3 45 B10R0.15 CC(=O)NCCCC(F)(F)F 3c0c909b943fc5eea742d57581d51aa5 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.15 CC(=O)NCCCS(=O)(=O)C 14e02ae7bd7ecd94769cfbf3b79d0e94 [0,0,0,0,0,0|1,0,0]=1 47 B10R0.15 CC(=O)NCCCS(=O)(=O)O f9dd3fb6b44e1d95b590f2bb696b48bc [0,0,0,0,0,0|0,0,0]=0 48 B10R0.15 CC(=O)NCCNS(=O)(=O)C 9ac331e3f0734f6358143078119a9689 [0,0,0,0,0,0|2,0,0]=2 49 B10R0.15 CC(=O)NCCOS(=O)(=O)O 4bc5187beeb7a268755d390f6330b773 [0,0,0,0,0,0|1,0,0]=1 50 B10R0.15 CC(=O)NCOCC(C)(C)O 1a5d1f065d5ddbfc149a765a15c813f7 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.15 CC(=O)NCOCS(=O)(=O)C 50961132c457f8bcab5ceb5012f58b8d [0,0,0,0,0,0|2,0,0]=2 52 B10R0.15 CC(=O)NCOCS(=O)(=O)N f0bdf7d66ab882b1972933c144cceff3 [0,0,0,0,0,0|2,0,0]=2 53 B10R0.15 CC(=O)NCOCS(=O)(=O)O 36af2d178bca33b27fe25dd8927371d5 [0,0,0,0,0,0|1,0,0]=1 54 B10R0.15 CC(=O)OCNCS(=O)(=O)O 314f010f2e210d5997624e8444f964c5 [0,0,0,0,0,0|2,0,0]=2 55 B10R0.15 CC(C)CCNCS(=O)(=O)O cb56129d6d64a0574bfeb897905f7430 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.15 CC(C)CNCCS(=O)(=O)O 239408f6d274a8762d5096e492e4c04b [0,0,0,0,0,0|3,0,1]=4 57 B10R0.15 CC(C)COCCS(=O)(=O)O 7893aefde5f765af402fb0a6478684c4 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.15 CC(C)NCCCS(=O)(=O)C bb40d98f0062744bdd680406a798d7af [0,0,0,0,0,0|2,0,1]=3 59 B10R0.15 CC(C)NCCCS(=O)(=O)N 91af2b7ad440c3c6db3e057463923ae8 [0,0,0,0,0,0|2,0,1]=3 60 B10R0.15 CC(C)NCCCS(=O)(=O)O ac1c6bf54faa9323d0dc1c9959c4c64e [0,0,0,0,0,0|1,0,1]=2 61 B10R0.15 CC(C)NCCNS(=O)(=O)C e387e65ee54db67a0e411f0ca0f9532c [0,0,0,0,0,0|3,0,1]=4 62 B10R0.15 CC(C)NCCOS(=O)(=O)O 349323c3877601940f625bfaf3314c9d [0,0,0,0,0,0|2,0,1]=3 63 B10R0.15 CC(C)OCCCS(=O)(=O)C 0750e134f974128b42cc6fa84106502a [0,0,0,0,0,0|3,0,1]=4 64 B10R0.15 CC(C)OCCCS(=O)(=O)N 6ea4bcdb84c0c32ca98958cd18b79fe0 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.15 CC(C)OCCCS(=O)(=O)O 973811adafed374a5b756dcd12fa7a99 [0,0,0,0,0,0|2,0,1]=3 66 B10R0.15 CC(C)OCNCS(=O)(=O)O 8b500afc783722fdccf79bdc15223097 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.15 CC(F)COCCS(=O)(=O)O 7aba5b916294cc2cf0a2b51ba2b0fc49 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.15 CC(O)CCNCS(=O)(=O)O 79ad7e9491db190d22f2a74a4403716f [0,0,0,0,0,0|2,0,2]=4 69 B10R0.15 CC(O)CNCCS(=O)(=O)O 52717d338cc0537bcad65be3cce5fee6 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.15 CC(S)COCCS(=O)(=O)O 6ee9641df5242957ac06c58e4e176a47 [0,0,0,0,0,0|2,1,1]=4 71 B10R0.15 CN(C)CCNCS(=O)(=O)O b37b04b947c3d7da5e38547070086925 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.15 CN(C)CNCCS(=O)(=O)O a46f1fe436f72142bca500f5a0e662dc [0,0,0,0,0,0|4,0,0]=4 73 B10R0.15 CN(C)COCCS(=O)(=O)O a6e0ab16c6e50fe4a5958828b0a00c0a [0,0,0,0,0,0|4,0,0]=4 74 B10R0.15 CS(=O)(=O)CCNCC(=O)N 460361ab54b135dafaa956daf2f45f20 [0,0,0,0,0,0|4,0,0]=4 75 B10R0.15 CS(=O)(=O)CCNCC(=O)O 612bfe1cdeda86f577a1e376d07efc95 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.15 CS(=O)(=O)CCOCC(=O)N f508789610c8bf99b91d3b86d67d7754 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.15 CS(=O)(=O)CCOCC(=O)O a8641883fa0d1e82a14e1bab41962902 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.15 CS(=O)(=O)CNCCC(=O)N 8b423364ef4b0b07417b3e2c34dfa13c [0,0,0,0,0,0|4,0,0]=4 79 B10R0.15 CS(=O)(=O)CNCCC(=O)O 9b788639b4f5f5d6b9f2d664a06c2ca6 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.15 CS(=O)(=O)COCCC(=O)N 1de1adbe4116029daa0cc2f3fbe7f79b [0,0,0,0,0,0|4,0,0]=4 81 B10R0.15 CS(=O)(=O)COCCC(=O)O 1191264f48490ffe13db03131d7ccad5 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.15 CS(=O)(=O)COCNC(=O)N 4252a44e694c5427e2ef021d44c472a1 [0,0,0,0,0,0|3,0,0]=3 83 B10R0.15 CS(=O)CCNCS(=O)(=O)C 43910086e0cc26896c3ab9b3b538f9dc [0,0,0,0,0,0|4,0,0]=4 84 B10R0.15 CS(=O)CCNCS(=O)(=O)O 6ba063180b83bb3a4a4379e7cd907d85 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.15 CS(=O)CCOCS(=O)(=O)C c171c15ece176f077f1bee7435eccea1 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.15 C[C@@H](F)COCCS(=O)(=O)O a2bb2867e269e372966ac0b0665266d7 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.15 C[C@@H](O)CCNCS(=O)(=O)O d3acd5014dd6b660e9cc45651df98d2a [0,0,0,0,0,0|2,0,2]=4 88 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)O 1592d7195a4da9c5dc38c81d712ff2a7 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.15 C[C@H](F)COCCS(=O)(=O)O 9c4697090e1beebe66cbc5555c11e5e0 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.15 C[C@H](O)CCNCS(=O)(=O)O 8b4826a8f88c26867df1bc48e78175c8 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.15 C[C@H](O)CNCCS(=O)(=O)O cc273c55799759714da9684e66827b65 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.15 NC(=O)CCNCS(=O)(=O)O 769b912e8a48248dfd91e36be7d26857 [0,0,0,0,0,0|3,0,0]=3 93 B10R0.15 NC(=O)CNCCS(=O)(=O)N 51d3ef6fa251260d753298786a7b57c2 [0,0,0,0,0,0|4,0,0]=4 94 B10R0.15 NC(=O)CNCCS(=O)(=O)O 6cbef9f9d7cde8965892ad06e2de7862 [0,0,0,0,0,0|3,0,0]=3 95 B10R0.15 NC(=O)COCCS(=O)(=O)N adfa4ec88ba33c25cffaf01f3630aed5 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.15 NC(=O)COCCS(=O)(=O)O fc3adc94afa766512b138c4dd83cde1e [0,0,0,0,0,0|3,0,0]=3 97 B10R0.15 NC(=O)NCOCS(=O)(=O)N f3f5eda543807de356697a48b2b4cd1d [0,0,0,0,0,0|3,0,0]=3 98 B10R0.15 NC(=O)SCNCS(=O)(=O)O d81cccf61e1817dd1113013ec52d5854 [0,0,0,0,0,0|3,0,0]=3 99 B10R0.15 NC(=S)CCNCS(=O)(=O)O c71d9edf2119bf670a2c08257607614f [0,0,0,0,0,0|3,1,0]=4 100 B10R0.15 NC(=S)COCCS(=O)(=O)O 440a4fea7312f8161fd78eff13d985ab [0,0,0,0,0,0|3,1,0]=4 101 B10R0.15 NS(=O)(=O)CCNCC(=O)O c54011daa6bd8cfdcdf2874884d96574 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.15 NS(=O)(=O)CCOCC(=O)O b9ff284555dc79bcdd2f5ebc653d5f6e [0,0,0,0,0,0|4,0,0]=4 103 B10R0.15 O=C(O)CCNCS(=O)(=O)O eba96140755a7efdc282f54d0681c326 [0,0,0,0,0,0|3,0,0]=3 104 B10R0.15 O=C(O)CNCCS(=O)(=O)O cc2a150d734275652f82102b45ff12d9 [0,0,0,0,0,0|3,0,0]=3 105 B10R0.15 O=C(O)COCCS(=O)(=O)O 346404a98fe69bbcf63d965446b60fd6 [0,0,0,0,0,0|3,0,0]=3 106 B10R0.15 O=S(=O)(O)CNCC=C(Cl)Cl b1096b503b0f95fcd1f16330282f1310 [0,0,0,0,0,0|4,0,0]=4 107 B10R0.15 O=S(=O)(O)COCC=C(Cl)Cl 48464be8521a94b7041cf662e7b199c4 [0,0,0,0,0,0|4,0,0]=4 108 B10R0.15 O=S(O)COCCS(=O)(=O)O 60db3b8503a47b1f9d88cd3832bbec21 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.15 O=[N+]([O-])CNCCS(=O)(=O)O a0fecb8744cadfa113d633671a185072 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.15 O=[N+]([O-])COCCS(=O)(=O)O f8aa35782334fe50112104c5c4f5ca2a [0,0,0,0,0,0|4,0,0]=4 111 B9R0.38 C/C=C/CNCS(=O)(=O)O 084391d9bf10415ad699fe6f41440918 [1,0,0,0,0,0|2,0,0]=3 112 B9R0.38 C/C=C/COCS(=O)(=O)C 40b25306c083601a0490485b660635d0 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.38 C/C=C/COCS(=O)(=O)N a666f4e7cf506b10a26da84235ef8eba [1,0,0,0,0,0|3,0,0]=4 114 B9R0.38 C/C=C/COCS(=O)(=O)O a8f6f701a17045f85bdc3cc1471d7eac [1,0,0,0,0,0|2,0,0]=3 115 B9R0.38 C/C=C\CNCS(=O)(=O)O f70bb045d332ecd1be91d4d641185532 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.38 C/C=C\COCS(=O)(=O)C 7d6d5d568ec89c1143dfa171d299d127 [1,0,0,0,0,0|3,0,0]=4 117 B9R0.38 C/C=C\COCS(=O)(=O)N 04a2c3280459c581716b540d4e429f05 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.38 C/C=C\COCS(=O)(=O)O 7785242ec0edaf536d474812cd0acf97 [1,0,0,0,0,0|2,0,0]=3 119 B9R0.38 C=CCCNCS(=O)(=O)O 89ff6f29b40ce695dd4901b7c27357ff [1,0,0,0,0,0|2,0,1]=4 120 B9R0.38 C=CCCOCS(=O)(=O)O 4acc35e4b25898698eb7285101285e9f [1,0,0,0,0,0|2,0,1]=4 121 B9R0.38 C=CCNCCS(=O)(=O)O 1b11cd206b5410a0e3bff4be9c4cb0da [1,0,0,0,0,0|2,0,1]=4 122 B9R0.38 C=CCOCCS(=O)(=O)O 40c552299511997fb722363a6bb106c3 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.38 CC#CCOCS(=O)(=O)O 5a95c4a39d4924df7d3a8a700ec83473 [1,0,0,0,0,0|2,0,1]=4 124 B9R0.38 CC(C)(O)CCCNC=O de33dcb2b76124e3e94eb8f78daccdd8 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.38 CC=CCNCS(=O)(=O)C 5004a5d91397c9b2890b5b1af3c75dd9 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.38 CC=CCNCS(=O)(=O)N 05b74aa40a08a87383c07ee8593758a5 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.38 CC=CCNCS(=O)(=O)O dc9d1e5d969641b337bdde01a4921763 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.38 CC=CCOCS(=O)(=O)C 695a4f49eeba94212d27f513e7038c96 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.38 CC=CCOCS(=O)(=O)N 0ff889245abc26085a8ee6e994d98f30 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.38 CC=CCOCS(=O)(=O)O 7395899758d1286f5d478018fbdd6c3b [1,0,0,0,0,0|2,0,0]=3 131 B9R0.38 CCCCNCS(=O)(=O)O 007c1dfa0321cdc0245df468cea7c92e [1,0,0,0,0,0|2,0,1]=4 132 B9R0.38 CCCNCCS(=O)(=O)O 125660fb3634ce638a0dd477f18c2998 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.38 CCCOCCS(=O)(=O)O e43acf3fef2bd06fb3b24a9a2d5ea63f [1,0,0,0,0,0|2,0,1]=4 134 B9R0.38 CCNCCCS(=O)(=O)C dc544c63c4417c641431496d935b44bd [1,0,0,0,0,0|1,0,1]=3 135 B9R0.38 CCNCCCS(=O)(=O)N c96651467d9af1df2dc2e047eecd367a [1,0,0,0,0,0|1,0,1]=3 136 B9R0.38 CCNCCCS(=O)(=O)O faa55f24fabb8dc0aae5f0daba718695 [1,0,0,0,0,0|0,0,1]=2 137 B9R0.38 CCNCCNS(=O)(=O)C 40a940b0f92134c1601944ff941d484a [1,0,0,0,0,0|2,0,1]=4 138 B9R0.38 CCNCCOS(=O)(=O)O 876f7e6446babbca46748c4b0bf3a813 [1,0,0,0,0,0|1,0,1]=3 139 B9R0.38 CCOCCCS(=O)(=O)C 0e91023cf4c58377fc324c64bd6cdce0 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.38 CCOCCCS(=O)(=O)N 79c7ff5b1b1298c864185a0190c4c414 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.38 CCOCCCS(=O)(=O)O 71130b7c1cbfcc6b3c1a7c6c681de977 [1,0,0,0,0,0|1,0,1]=3 142 B9R0.38 CCOCNCS(=O)(=O)O 5ba63832ea9194b4bcd69ed0fd64a0e0 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.38 COCCNCS(=O)(=O)O 4535918515b4a2dab798f802b96f13d5 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.38 COCNCCS(=O)(=O)O 31a65dd20dc66b8aaf75e8e6a7923dc8 [1,0,0,0,0,0|3,0,0]=4 145 B9R0.38 COCOCCS(=O)(=O)O 58ad80d2f79a164b195a51c572b8ef72 [1,0,0,0,0,0|3,0,0]=4 146 B9R0.38 CS(=O)(=O)CCCNC#N 1af56f973e4dc507983e7e5739e1438c [1,0,0,0,0,0|2,0,1]=4 147 B9R0.38 CS(=O)(=O)CCCNC=O b5caa943b6fca0f7fbf8f8df5f375371 [1,0,0,0,0,0|1,0,0]=2 148 B9R0.38 CS(=O)(=O)CCCNCF ac4e9f0f3e0e6a231b2c8850f85c0969 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.38 CS(=O)(=O)CCCNCO db6dc1d8b35fae6e95ff7297f7fc0e46 [1,0,0,0,0,0|1,0,2]=4 150 B9R0.38 CS(=O)(=O)CCNCC=O 2abb1af98814f1e443074eaaf32362bd [1,0,0,0,0,0|3,0,0]=4 151 B9R0.38 CS(=O)(=O)CCOCC=O dacc07f0e73a4a80d0ae62b12a68f117 [1,0,0,0,0,0|3,0,0]=4 152 B9R0.38 CS(=O)(=O)COCCC=O 46522b16e0fe3c3864464f4e3dc07dd2 [1,0,0,0,0,0|3,0,0]=4 153 B9R0.38 CS(=O)(=O)NCCNC=O 2d2b5e9c3dbbce46d3060258e3b94f9f [1,0,0,0,0,0|2,0,0]=3 154 B9R0.38 CSCCNCS(=O)(=O)O 025220fd99aca52d385ee3aea67a980f [1,0,0,0,0,0|3,0,0]=4 155 B9R0.38 CSCNCCS(=O)(=O)O ebac4ac3068473b8071756cc3196de13 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.38 CSCOCCS(=O)(=O)O 0f14daf83541f97da8bc310a2001d3cb [1,0,0,0,0,0|3,0,0]=4 157 B9R0.38 N#CNCCCS(=O)(=O)N 543ca12c693be6e0c0df35385d437925 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.38 N#CNCCCS(=O)(=O)O a1b93820a09d63a5697e39a90ab9247f [1,0,0,0,0,0|1,0,1]=3 159 B9R0.38 NS(=O)(=O)CCCNCF f7d89015706ee271a850328209bdf3f2 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.38 NS(=O)(=O)CCCNCO ff93fed68b0586e7ebecec1202aaf91f [1,0,0,0,0,0|1,0,2]=4 161 B9R0.38 NS(=O)(=O)CCNCC=O 7154a4974d4d8d9a5c46014514c7129c [1,0,0,0,0,0|3,0,0]=4 162 B9R0.38 NS(=O)(=O)CCOCC=O 1d887b84111f01618cdd0feedc141af9 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.38 NS(=O)(=O)COCCC=O 4c407ead7fb5d513262dd1a0d05840db [1,0,0,0,0,0|3,0,0]=4 164 B9R0.38 O=CCCNCS(=O)(=O)O 6b44ee2f7a75def69759ab60b1e71b98 [1,0,0,0,0,0|2,0,0]=3 165 B9R0.38 O=CCCOCS(=O)(=O)O a6273eb36d5273be04ef54505638d8e9 [1,0,0,0,0,0|2,0,0]=3 166 B9R0.38 O=CCNCCS(=O)(=O)O 5a11781576f712040dda5afe638772f1 [1,0,0,0,0,0|2,0,0]=3 167 B9R0.38 O=CCOCCS(=O)(=O)O 8248c025e5f6b685abafab28f4c2ba2a [1,0,0,0,0,0|2,0,0]=3 168 B9R0.38 O=CNCCCS(=O)(=O)O d46ffe9b508d286faf1d6d860108e9f3 [1,0,0,0,0,0|0,0,0]=1 169 B9R0.38 O=CNCCOS(=O)(=O)O 33af5006f05ac5c4a57ae97d3541c93c [1,0,0,0,0,0|1,0,0]=2 170 B9R0.38 O=S(=O)(O)CCCNCF 2a4a9dfeb07182d8a63036ce2b24413b [1,0,0,0,0,0|1,0,1]=3 171 B9R0.38 O=S(=O)(O)CCCNCO 1a952e966c036bd43dc06396ec59f71c [1,0,0,0,0,0|0,0,2]=3 172 B9R0.38 O=S(=O)(O)CCCOCF 093d3bc5856b127fa76ca175c45618bc [1,0,0,0,0,0|2,0,1]=4 173 B9R0.38 O=S(=O)(O)CNC/C=C/Cl 5a3406d971346b32ebbd5a17aab81564 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.38 O=S(=O)(O)CNC/C=C\Cl ccafa7445021c7f5befcc5ad2b9eb5b1 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.38 O=S(=O)(O)CNC/C=C\O ba3ef3529049d75b769ed63937e19936 [1,0,0,0,0,0|2,0,1]=4 176 B9R0.38 O=S(=O)(O)COC/C=C/Cl 15c64c01a409e70f8298d678e55a15de [1,0,0,0,0,0|3,0,0]=4 177 B9R0.38 O=S(=O)(O)COCC=CCl d292dd4b86c5980a0893336479b8f23d [1,0,0,0,0,0|3,0,0]=4 178 B9R0.38 O=S(=O)(O)OCCNCF 4496ddc963176318474edb031eb9e3fc [1,0,0,0,0,0|2,0,1]=4 179 B9R0.38 O=S(=O)(O)OCCNCO b1c9252c333c009b7f6a0aae562e48d7 [1,0,0,0,0,0|1,0,2]=4 180 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [1,0,0,0,0,0|3,0,0]=4 181 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [1,0,0,0,0,0|3,0,0]=4 182 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [1,0,0,0,0,0|2,0,0]=3 186 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [1,0,0,0,0,0|3,0,0]=4 187 B9R0.55 CC(=O)NCCCN(C)C 102e725d4de8a9a63bb409b78aa3277e [1,0,0,0,0,0|3,0,0]=4 188 B9R0.55 CC(=O)NCCCS(=O)C 85ed7b7246ef0c021ed1278da00bdfcc [1,0,0,0,0,0|1,0,1]=3 189 B9R0.55 CC(=O)NCCNC(=O)C 0321bfa08951e7410e51e8bd5f19cab9 [1,0,0,0,0,0|3,0,0]=4 190 B9R0.55 CC(=O)NCOCC(=O)N 77b1de6b1dd1d9e88406c226df9bf41b [1,0,0,0,0,0|3,0,0]=4 191 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [1,0,0,0,0,0|2,0,0]=3 192 B9R0.55 CC(=O)NCOC[N+](=O)[O-] 9e19909eeb342e2c75fb87ca7872e91a [1,0,0,0,0,0|2,0,1]=4 193 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [1,0,0,0,0,0|3,0,0]=4 194 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [1,0,0,0,0,0|3,0,0]=4 195 B9R0.55 CC(=O)OCOCS(=O)O aac12a3c6a270dbc4a58bd80d063c80d [1,0,0,0,0,0|2,0,1]=4 196 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [1,0,0,0,0,0|2,0,1]=4 197 B9R0.55 NC(=O)NCOCC(=O)O aa1d067641223fda4e4dc0e730e5d693 [1,0,0,0,0,0|3,0,0]=4 198 B11R0.34 CC(=O)CCN(C)CS(=O)(=O)S bc4dd56f50d53ea10300b07e93fd247e [0,1,0,0,0,0|2,1,0]=4 199 B11R0.34 CC(=O)CNC(=O)CS(=O)(=O)O 26dbe9eeaa4449ebc64e86cb085ac50c [0,1,0,0,0,0|2,0,1]=4 200 B11R0.34 CC(=O)OCN(C)CS(=O)(=O)S af93b868457d7b3fe377fd016da97a3d [0,1,0,0,0,0|2,1,0]=4 201 B11R0.84 CC(=O)NCCN(C)S(=O)(=O)C 74960ad9c29ddfeee707cbc26a718e27 [0,1,0,0,0,0|2,0,0]=3 202 B11R0.114 C#C/C(=C/COCS(=O)(=O)O)/C 32a3de1cced92742418f16006693b4e2 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.114 C#C/C(=C\COCS(=O)(=O)O)/C dfb0ef84ebb3a17830bc97488eec9be6 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.114 C#CC(=O)NCCCS(=O)(=O)C 7809463e063d0ce1ce47dc2b7e25b81c [0,1,0,0,0,0|1,0,1]=3 205 B11R0.114 C#CC(=O)NCCCS(=O)(=O)N 9e0b0061759f7a8894887c4ff824adf5 [0,1,0,0,0,0|1,0,1]=3 206 B11R0.114 C#CC(=O)NCCCS(=O)(=O)O a5ec50829b2412527db5559de81359c2 [0,1,0,0,0,0|0,0,1]=2 207 B11R0.114 C#CC(=O)NCCNS(=O)(=O)C d676d915ef7809a590ac27b7e63adfc2 [0,1,0,0,0,0|2,0,1]=4 208 B11R0.114 C#CC(C)NCCCS(=O)(=O)C 82ef4616ed53b8cf31e32100dc29f356 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.114 C#CC(C)NCCCS(=O)(=O)N ab58cfa993d8221f33f47c4cc2f9fa6e [0,1,0,0,0,0|2,0,1]=4 210 B11R0.114 C#CC(C)NCCCS(=O)(=O)O 18e4f43cd591506a7d8962d20a452254 [0,1,0,0,0,0|1,0,1]=3 211 B11R0.114 C#CC(C)NCCOS(=O)(=O)O ec0e16f3473c9e23b693e19382ffd36d [0,1,0,0,0,0|2,0,1]=4 212 B11R0.114 C#CC(C)OCCCS(=O)(=O)O 7c62df140ee7a2b6152f760aae2b1a02 [0,1,0,0,0,0|2,0,1]=4 213 B11R0.114 C#C[C@@H](C)NCCCS(=O)(=O)C f1d2c923448039bc8fcc1b911d62c452 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.114 C#C[C@@H](C)NCCCS(=O)(=O)N b7527a7152b97da9c013b67f4320ea2d [0,1,0,0,0,0|2,0,1]=4 215 B11R0.114 C#C[C@@H](C)NCCCS(=O)(=O)O 3d5ba482cf82bcc146758e932993ea88 [0,1,0,0,0,0|1,0,1]=3 216 B11R0.114 C#C[C@@H](C)OCCCS(=O)(=O)O 1716c02bd50e710e92da1b52f22bf3e5 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.114 C#C[C@H](C)NCCCS(=O)(=O)C 79c450510d3862391e810011e40f4314 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.114 C#C[C@H](C)NCCCS(=O)(=O)N 675524bf1ebd8a1bb744cedef20f1098 [0,1,0,0,0,0|2,0,1]=4 219 B11R0.114 C#C[C@H](C)NCCCS(=O)(=O)O 63589597f82b0baf4f73d2ced553c0d0 [0,1,0,0,0,0|1,0,1]=3 220 B11R0.114 C#C[C@H](C)OCCCS(=O)(=O)O d6ac2e246de6f749f2d37141e7920bf2 [0,1,0,0,0,0|2,0,1]=4 221 B11R0.114 C/C(=C\I)/COCCS(=O)(=O)O 8deca9b1766de9f4327509f7a78385fd [0,1,0,0,0,0|3,0,0]=4 222 B11R0.114 C=C(C=O)OCCCS(=O)(=O)C 49c96f336e7d8c9c3b8dd50333491f34 [0,1,0,0,0,0|2,0,1]=4 223 B11R0.114 C=C(C=O)OCCCS(=O)(=O)N 28cb55cc387452176339621ee1d72134 [0,1,0,0,0,0|2,0,1]=4 224 B11R0.114 C=C(C=O)OCCCS(=O)(=O)O 2e400b3aebcc51e2b851ff43e2f7efcd [0,1,0,0,0,0|1,0,1]=3 225 B11R0.114 C=C(CC)CNCCS(=O)(=O)O f06e38c9dce0342b23dd9a24556e8505 [0,1,0,0,0,0|3,0,0]=4 226 B11R0.114 C=C(CC)COCCS(=O)(=O)O ca088409a0fb6781ce11f31ae202429d [0,1,0,0,0,0|3,0,0]=4 227 B11R0.114 C=C(CNCCS(=O)(=O)O)OC 17cb4d78859dbf038737900d8c5f2ca0 [0,1,0,0,0,0|3,0,0]=4 228 B11R0.114 C=C(CO)CNCCS(=O)(=O)O 130badd71b2f16c26a09da779c65754c [0,1,0,0,0,0|3,0,0]=4 229 B11R0.114 C=C(COCCS(=O)(=O)O)OC dbfbc55e32c183e64d7d143fed7f17e1 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.114 C=CC(=O)NCCCS(=O)(=O)C 280d7d46fef52b3665b5a2139d3f139a [0,1,0,0,0,0|1,0,1]=3 231 B11R0.114 C=CC(=O)NCCCS(=O)(=O)N 9bc1390b702ce175bc6a453060021a28 [0,1,0,0,0,0|1,0,1]=3 232 B11R0.114 C=CC(=O)NCCCS(=O)(=O)O 4d168162c1f2c59285d9c431096ce0e3 [0,1,0,0,0,0|0,0,1]=2 233 B11R0.114 C=CC(=O)NCCNS(=O)(=O)C 0a562374901253e6b49ba4b942b8ab2a [0,1,0,0,0,0|2,0,1]=4 234 B11R0.114 C=CC(=O)NCCOS(=O)(=O)O e0785ca063aac46d5fc8f55f48971e21 [0,1,0,0,0,0|1,0,1]=3 235 B11R0.114 C=CC(=O)NCOCS(=O)(=O)C ea68b0e0f79a7dea356ddb5e11fc1dd7 [0,1,0,0,0,0|2,0,1]=4 236 B11R0.114 C=CC(=O)NCOCS(=O)(=O)N d695c62ad342c4d5c357908a6ac51f48 [0,1,0,0,0,0|2,0,1]=4 237 B11R0.114 C=CC(=O)NCOCS(=O)(=O)O 06a1ef310107e317a7fcd599e321fe90 [0,1,0,0,0,0|1,0,1]=3 238 B11R0.114 C=CC(C)NCCCS(=O)(=O)C b89dfb1c205ae4bad16730462d95e3f3 [0,1,0,0,0,0|2,0,1]=4 239 B11R0.114 C=CC(C)NCCCS(=O)(=O)N bbf8e3d330913cb3264cdb37ccb50dee [0,1,0,0,0,0|2,0,1]=4 240 B11R0.114 C=CC(C)NCCCS(=O)(=O)O ad1d2734bac0158b3594cf0ba3707cb1 [0,1,0,0,0,0|1,0,1]=3 241 B11R0.114 C=CC(C)NCCOS(=O)(=O)O 3cb338e6fa4ba89078145d300d87a9bd [0,1,0,0,0,0|2,0,1]=4 242 B11R0.114 C=CC(C)OCCCS(=O)(=O)O b5cd2ad0573499ccd3fdad52bf3751b3 [0,1,0,0,0,0|2,0,1]=4 243 B11R0.114 C=C[C@H](C)OCCCS(=O)(=O)O 9e370300bd47f8142ff37634bba92eb7 [0,1,0,0,0,0|2,0,1]=4 244 B11R0.114 CC(=CI)COCCS(=O)(=O)O 872e5e8fb2140020614974c9ff5620da [0,1,0,0,0,0|3,0,0]=4 245 B11R0.114 CC(C#N)NCCCS(=O)(=O)C 5a5cf50dcbb30fe93100851d8c3b2e7f [0,1,0,0,0,0|2,0,1]=4 246 B11R0.114 CC(C#N)NCCCS(=O)(=O)N 8fcb75521d2ba4b20dfc27f4a2382eb6 [0,1,0,0,0,0|2,0,1]=4 247 B11R0.114 CC(C#N)NCCCS(=O)(=O)O db6d65aba8e3053c5a252abbe34d137b [0,1,0,0,0,0|1,0,1]=3 248 B11R0.114 CC(C#N)NCCOS(=O)(=O)O 9dcecbb3d172ac64c2c81d2aad61ea90 [0,1,0,0,0,0|2,0,1]=4 249 B11R0.114 CC(C#N)OCCCS(=O)(=O)O 80055066545da58b6c02f0777af46bb7 [0,1,0,0,0,0|2,0,1]=4 250 B11R0.114 CC(C)(O)CCCNC(=O)CF 1f4b0b737fca82e097201e22a82097be [0,1,0,0,0,0|3,0,0]=4 251 B11R0.114 CC(C)(O)CCCNC(=O)CO caca39089ba1e345b5c9be50cbacd4e3 [0,1,0,0,0,0|3,0,0]=4 252 B11R0.114 CC(C)(O)CCCNC(=O)CS 3736b43de00bd638624b097237eed79e [0,1,0,0,0,0|3,0,0]=4 253 B11R0.114 CC(C=O)NCCCS(=O)(=O)C 7924b869836aba0fa3c58bb95d8a1af4 [0,1,0,0,0,0|1,0,1]=3 254 B11R0.114 CC(C=O)NCCCS(=O)(=O)N 64439069816792a7c7f959ca5a3ac231 [0,1,0,0,0,0|1,0,1]=3 255 B11R0.114 CC(C=O)NCCCS(=O)(=O)O 983dd753d2024e1dcb21c97712bbfdd0 [0,1,0,0,0,0|0,0,1]=2 256 B11R0.114 CC(C=O)NCCNS(=O)(=O)C db0dcb87d0e233e4b9917a5623dff076 [0,1,0,0,0,0|2,0,1]=4 257 B11R0.114 CC(C=O)NCCOS(=O)(=O)O 40dc92826a2628af5fd84404f4703793 [0,1,0,0,0,0|1,0,1]=3 258 B11R0.114 CC(C=O)OCCCS(=O)(=O)C acc85d4b46716db1b5b60801b097fdc5 [0,1,0,0,0,0|2,0,1]=4 259 B11R0.114 CC(C=O)OCCCS(=O)(=O)N 5bba856c208011ce5621c39fb1aed770 [0,1,0,0,0,0|2,0,1]=4 260 B11R0.114 CC(C=O)OCCCS(=O)(=O)O d2695b4956a59773a025f5ad1ff246b2 [0,1,0,0,0,0|1,0,1]=3 261 B11R0.114 CC(CF)OCCCS(=O)(=O)O 5520fd8fe060dcc677b9d5555a1d7581 [0,1,0,0,0,0|2,0,1]=4 262 B11R0.114 CC(CO)NCCCS(=O)(=O)C 19d6a5b027edc1857499e3eec0463190 [0,1,0,0,0,0|1,0,2]=4 263 B11R0.114 CC(CO)NCCCS(=O)(=O)N d42331c17d9062be5bbdb88ab1535e0d [0,1,0,0,0,0|1,0,2]=4 264 B11R0.114 CC(CO)NCCCS(=O)(=O)O 88b13d39c3ccea9c5f81fe6ce28487f2 [0,1,0,0,0,0|0,0,2]=3 265 B11R0.114 CC(CO)NCCOS(=O)(=O)O 91d8ae117859962b72cd51b24fb2999d [0,1,0,0,0,0|1,0,2]=4 266 B11R0.114 CC(CS)OCCCS(=O)(=O)O 3d373b0a63aa2909b5095d4e7e4b2782 [0,1,0,0,0,0|1,1,1]=4 267 B11R0.114 CCC(=O)CNCCS(=O)(=O)C d6506237b8895786cbc82434dddade0c [0,1,0,0,0,0|3,0,0]=4 268 B11R0.114 CCC(=O)CNCCS(=O)(=O)N d87392c046d5485979398dd0fc41d48a [0,1,0,0,0,0|3,0,0]=4 269 B11R0.114 CCC(=O)CNCCS(=O)(=O)O 4ddff7d91e2e336c167d92ae0f906f76 [0,1,0,0,0,0|2,0,0]=3 270 B11R0.114 CCC(=O)COCCS(=O)(=O)C f76dad79e55fcdbbe4bd1a6ae0fe7297 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.114 CCC(=O)COCCS(=O)(=O)N ed589684ea9f54a62e6df6a2e53be24c [0,1,0,0,0,0|3,0,0]=4 272 B11R0.114 CCC(=O)COCCS(=O)(=O)O 9770db1151c18169a95947a038f57fbb [0,1,0,0,0,0|2,0,0]=3 273 B11R0.114 CCC(=O)NCCCC(C)(C)O 2f3900854b1c6e50395e2614be19262a [0,1,0,0,0,0|3,0,0]=4 274 B11R0.114 CCC(=O)NCCCS(=O)(=O)C aff862ce848f7355cadef9842985d96d [0,1,0,0,0,0|1,0,0]=2 275 B11R0.114 CCC(=O)NCCCS(=O)(=O)O f53e8fb65363a590ecb039ed9b8f686e [0,1,0,0,0,0|0,0,0]=1 276 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 06b84055effa07451f14e8f2864ba707 [0,1,0,0,0,0|2,0,0]=3 277 B11R0.114 CCC(=O)NCCOS(=O)(=O)O 4f5c2f2a59d56993b59e8ef13e3150cc [0,1,0,0,0,0|1,0,0]=2 278 B11R0.114 CCC(=O)OCNCS(=O)(=O)O 83d9408efb2e6cc8cbf62ff620b197d3 [0,1,0,0,0,0|2,0,0]=3 279 B11R0.114 CCC(C)NCCCS(=O)(=O)C 1faa43fc6d98e6cb1a6d6e2897b7ca6b [0,1,0,0,0,0|2,0,1]=4 280 B11R0.114 CCC(C)NCCCS(=O)(=O)O 8e4bdfa44e36ccb1af7afa3dd8bfae1b [0,1,0,0,0,0|1,0,1]=3 281 B11R0.114 CCC(C)NCCOS(=O)(=O)O 802a7a89593a67dbdce1a3540c99232c [0,1,0,0,0,0|2,0,1]=4 282 B11R0.114 CCC(C)OCCCS(=O)(=O)O 1e270a8af959e7fb6635366301c89f16 [0,1,0,0,0,0|2,0,1]=4 283 B11R0.114 CCN(C)CCCCS(=O)(=O)O ffe63fccb620892fb9ca6e5f55a25d55 [0,1,0,0,0,0|3,0,0]=4 284 B11R0.114 CCS(=O)CCNCS(=O)(=O)O 51a03b24c5f84496a6ccb82cf13b0c65 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.114 CC[C@@H](C)NCCCS(=O)(=O)C 54a8f010f86b9d90d3f4f89eceee8b3e [0,1,0,0,0,0|2,0,1]=4 286 B11R0.114 CC[C@@H](C)NCCCS(=O)(=O)O ad280495485176d1ab7c93f74973c909 [0,1,0,0,0,0|1,0,1]=3 287 B11R0.114 CC[C@@H](C)OCCCS(=O)(=O)O 578031e68cd8e261f17b91f84409d822 [0,1,0,0,0,0|2,0,1]=4 288 B11R0.114 CC[C@H](C)NCCCS(=O)(=O)C ff21a8de672e222f6467704fb6cba1f8 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.114 CC[C@H](C)NCCCS(=O)(=O)O 886248bbb2da0bbae444a9c5cc6ed0f7 [0,1,0,0,0,0|1,0,1]=3 290 B11R0.114 CC[C@H](C)OCCCS(=O)(=O)O 4b8e5e6b62d9601e466bafed281c6c6a [0,1,0,0,0,0|2,0,1]=4 291 B11R0.114 CN(C=O)CCOCS(=O)(=O)O 0588eee0b2ca502c2f97a8a9fb84eef7 [0,1,0,0,0,0|3,0,0]=4 292 B11R0.114 CNC(=O)CCNCS(=O)(=O)C fff23908452d460b89b927e3998f4c08 [0,1,0,0,0,0|3,0,0]=4 293 B11R0.114 CNC(=O)CCNCS(=O)(=O)N 091818cbf7f9a86fd46488f32ca7cd6e [0,1,0,0,0,0|3,0,0]=4 294 B11R0.114 CNC(=O)CCNCS(=O)(=O)O 027e1e5f2d7e922c5e709362c1abbaea [0,1,0,0,0,0|2,0,0]=3 295 B11R0.114 CNC(=O)CCOCS(=O)(=O)C 90042c21c5d84907780fdf55cd7df110 [0,1,0,0,0,0|3,0,0]=4 296 B11R0.114 CNC(=O)CNCCS(=O)(=O)C caea8b6280c3b4f0a95569d71c15491e [0,1,0,0,0,0|3,0,0]=4 297 B11R0.114 CNC(=O)CNCCS(=O)(=O)N 82d5efbb3ecf8627d4af9969ed1c9715 [0,1,0,0,0,0|3,0,0]=4 298 B11R0.114 CNC(=O)CNCCS(=O)(=O)O 33a9a4fa7a053713b76619d4dc14dc66 [0,1,0,0,0,0|2,0,0]=3 299 B11R0.114 CNC(=O)COCCS(=O)(=O)C 163db59bbdae547d37177f73d4562df7 [0,1,0,0,0,0|3,0,0]=4 300 B11R0.114 CNC(=O)COCCS(=O)(=O)N 16471fbde6d9545fbb64f506e35b4b43 [0,1,0,0,0,0|3,0,0]=4 301 B11R0.114 CNC(=O)COCCS(=O)(=O)O be408311b3f0ffd802fb6bf4d20982eb [0,1,0,0,0,0|2,0,0]=3 302 B11R0.114 COC(=O)CCNCS(=O)(=O)C ae2dcbdcc34b46b4d7f681468964b5dc [0,1,0,0,0,0|3,0,0]=4 303 B11R0.114 COC(=O)CCNCS(=O)(=O)O dba40e18a10629a0ed11bb419cec63e4 [0,1,0,0,0,0|2,0,0]=3 304 B11R0.114 COC(=O)CCOCS(=O)(=O)C fd49e1e0fc9474cb342947255e62b6ad [0,1,0,0,0,0|3,0,0]=4 305 B11R0.114 COC(=O)CNCCS(=O)(=O)C aaf5b72a0e952a0be72c4b148d41b1e3 [0,1,0,0,0,0|3,0,0]=4 306 B11R0.114 COC(=O)CNCCS(=O)(=O)N f0f780771270c370c06c6686daa6501e [0,1,0,0,0,0|3,0,0]=4 307 B11R0.114 COC(=O)CNCCS(=O)(=O)O f5cbbd5f06ad1e0320828f50de0bcd8b [0,1,0,0,0,0|2,0,0]=3 308 B11R0.114 COC(=O)COCCS(=O)(=O)C d46bc5a3cf3d93e6d8fc1f10d0e26dc1 [0,1,0,0,0,0|3,0,0]=4 309 B11R0.114 COC(=O)COCCS(=O)(=O)N 3ab8c4a4181b158dda2e7d12dffd4e2c [0,1,0,0,0,0|3,0,0]=4 310 B11R0.114 COC(=O)COCCS(=O)(=O)O fbeaa864b055b2e83d61366db56b3608 [0,1,0,0,0,0|2,0,0]=3 311 B11R0.114 COC(=O)OCNCS(=O)(=O)O aebb4cb70e2eeeb745e8f12ca74436cb [0,1,0,0,0,0|2,0,0]=3 312 B11R0.114 CS(=O)(=O)CCCNC(=O)C=O 46dfef1ad5705c301a1a8b241f940580 [0,1,0,0,0,0|1,0,1]=3 313 B11R0.114 CS(=O)(=O)CCCNC(=O)CF 0c32fe5ec85895a330fb05f4825187a6 [0,1,0,0,0,0|1,0,0]=2 314 B11R0.114 CS(=O)(=O)CCCNC(=O)CO 5c872e905b478055f981bffadd790d2c [0,1,0,0,0,0|1,0,0]=2 315 B11R0.114 CS(=O)(=O)CCCNC(=O)CS e96ce803d931b0d9b19fe90ef596983d [0,1,0,0,0,0|1,0,0]=2 316 B11R0.114 CS(=O)(=O)CCNCC(=O)CO 4caf8b7aa28ac19496bcf034f9e37af8 [0,1,0,0,0,0|3,0,0]=4 317 B11R0.114 CS(=O)(=O)NCCNC(=O)C=O e411c4ee75df38285e7a46fc9dceada1 [0,1,0,0,0,0|2,0,1]=4 318 B11R0.114 CS(=O)(=O)NCCNC(=O)CF 119f82922ab9822cc717e083d874c760 [0,1,0,0,0,0|2,0,0]=3 319 B11R0.114 CS(=O)(=O)NCCNC(=O)CO fe8c5f969f4b6439e48989a49f2da2c9 [0,1,0,0,0,0|2,0,0]=3 320 B11R0.114 CS(=O)(=O)NCCNC(=O)CS c6da2ff0f08c252c3fbe52a6e62937be [0,1,0,0,0,0|2,0,0]=3 321 B11R0.114 C[C@@H](CO)NCCCS(=O)(=O)C 53fcf23e1d8c084e7a335088be9fb82a [0,1,0,0,0,0|1,0,2]=4 322 B11R0.114 C[C@@H](CO)NCCCS(=O)(=O)N aa0de931a508211b3550e3c654748321 [0,1,0,0,0,0|1,0,2]=4 323 B11R0.114 C[C@@H](CO)NCCCS(=O)(=O)O dc0f52ad80338cbc12e6043bf878d1c1 [0,1,0,0,0,0|0,0,2]=3 324 B11R0.114 C[C@@H](CO)NCCOS(=O)(=O)O b499154f7a6c3099beb5c194b92fbab8 [0,1,0,0,0,0|1,0,2]=4 325 B11R0.114 C[C@H](C=O)NCCCS(=O)(=O)C 99b156101032c344bfe00b3ff7e744b3 [0,1,0,0,0,0|1,0,1]=3 326 B11R0.114 C[C@H](C=O)NCCCS(=O)(=O)N 79f3952137951e739f069052a5a8b001 [0,1,0,0,0,0|1,0,1]=3 327 B11R0.114 C[C@H](C=O)NCCCS(=O)(=O)O c84f2ff109eb414b1f6fa8220333e175 [0,1,0,0,0,0|0,0,1]=2 328 B11R0.114 C[C@H](C=O)NCCNS(=O)(=O)C 4cde7670162abfb50d0a20c3f0286813 [0,1,0,0,0,0|2,0,1]=4 329 B11R0.114 C[C@H](C=O)NCCOS(=O)(=O)O e446dfea3730c58e4b07c8308b660ffa [0,1,0,0,0,0|1,0,1]=3 330 B11R0.114 C[C@H](C=O)OCCCS(=O)(=O)C 5eec4206a51465bac81683455c4f1913 [0,1,0,0,0,0|2,0,1]=4 331 B11R0.114 C[C@H](C=O)OCCCS(=O)(=O)N a83ad2f94244747b76cd15f7e8f3d3dc [0,1,0,0,0,0|2,0,1]=4 332 B11R0.114 C[C@H](C=O)OCCCS(=O)(=O)O fc7b1ac7b875a80a7b3b713b42b00a6e [0,1,0,0,0,0|1,0,1]=3 333 B11R0.114 C[C@H](CO)NCCCS(=O)(=O)C 9700417281ff3be2b0dac0a545388d9b [0,1,0,0,0,0|1,0,2]=4 334 B11R0.114 C[C@H](CO)NCCCS(=O)(=O)N 4707d75240ce79fec26ef3b3667fecc0 [0,1,0,0,0,0|1,0,2]=4 335 B11R0.114 C[C@H](CO)NCCCS(=O)(=O)O e5a909521200decd68295f5bef6ce4e1 [0,1,0,0,0,0|0,0,2]=3 336 B11R0.114 C[C@H](CO)NCCOS(=O)(=O)O cff2b3e72f9a563f8f020a6194ff0af6 [0,1,0,0,0,0|1,0,2]=4 337 B11R0.114 C[C@H](CS)OCCCS(=O)(=O)O 383fb17ccb49f3b6446a45b63935611b [0,1,0,0,0,0|1,1,1]=4 338 B11R0.114 N#CC(F)NCCCS(=O)(=O)O 2e07961fc4dc08ecf657752f33ab0c38 [0,1,0,0,0,0|1,0,2]=4 339 B11R0.114 NS(=O)(=O)CCCNC(=O)C=O 98bed7035492beae9b87b62319f6c52e [0,1,0,0,0,0|1,0,1]=3 340 B11R0.114 NS(=O)(=O)CCNCC(=O)CO f632fa4a0179452e4371cdd5fe3046af [0,1,0,0,0,0|3,0,0]=4 341 B11R0.114 O=C(CCNCS(=O)(=O)O)NO cb476c8e98c320feeeb087a538d1f1e3 [0,1,0,0,0,0|3,0,0]=4 342 B11R0.114 O=C(CF)NCCCS(=O)(=O)O f4ee350e3665aa61f424fe33aac8f09b [0,1,0,0,0,0|0,0,0]=1 343 B11R0.114 O=C(CNCCS(=O)(=O)O)NO a76a453c14998dd697ea55968a031958 [0,1,0,0,0,0|3,0,0]=4 344 B11R0.114 O=C(CO)CNCCS(=O)(=O)O 27bcc2378d5377aae50ce79842d9a41f [0,1,0,0,0,0|2,0,0]=3 345 B11R0.114 O=C(CO)NCCCS(=O)(=O)O da8fff6f4d240921e2b6b7d76ffb3363 [0,1,0,0,0,0|0,0,0]=1 346 B11R0.114 O=C(CO)NCCOS(=O)(=O)O 387072810c9d1a92dd648607197671fc [0,1,0,0,0,0|1,0,0]=2 347 B11R0.114 O=C(CS)NCCCS(=O)(=O)O efe309532725488d916de5988fcdeb7c [0,1,0,0,0,0|0,0,0]=1 348 B11R0.114 O=CC(=O)NCCCS(=O)(=O)O 83f118e0739700d26f2839b6870ac4a2 [0,1,0,0,0,0|0,0,1]=2 349 B11R0.114 O=CC(=O)NCCOS(=O)(=O)O 63535111640ee964f8cb3d6a00ffe19d [0,1,0,0,0,0|1,0,1]=3 350 B11R0.127 C=C(C)COCCS(=O)(=O)OC 0851bcb7327ae3a04caa2269658b41fd [0,1,0,0,0,0|3,0,0]=4 351 B11R0.127 CC(=O)NCCCC(C)(C)CO a35bdd798e7137c9cfa41c93dd36309f [0,1,0,0,0,0|3,0,0]=4 352 B11R0.127 CCS(=O)(=O)CCNCC(=O)C 6dfaa0c94d95ece098c59f43b1e5abda [0,1,0,0,0,0|3,0,0]=4 353 B11R0.127 CCS(=O)(=O)CCOCC(=O)C 2721428125abdcf060fb5ac1d15cdd0e [0,1,0,0,0,0|3,0,0]=4 354 B11R0.127 CCS(=O)(=O)COCNC(=O)C 62bd70574d025c67526827658c61397b [0,1,0,0,0,0|2,0,0]=3 355 B11R0.127 CCS(=O)(=O)COCNC(=O)N 670f85a8bca348a5c8004678dfcfda50 [0,1,0,0,0,0|3,0,0]=4 356 B11R0.127 CNS(=O)(=O)CCNCC(=O)C 19924c85d3e84b0be476e6ffbab4b75d [0,1,0,0,0,0|3,0,0]=4 357 B11R0.127 CNS(=O)(=O)CCOCC(=O)C a5c727271f7bd5fb8e4d7d905731f899 [0,1,0,0,0,0|3,0,0]=4 358 B11R0.127 CNS(=O)(=O)COCCC(=O)C b9c73d1ce6ff2b06b93c3771a233e364 [0,1,0,0,0,0|3,0,0]=4 359 B11R0.127 CNS(=O)(=O)COCNC(=O)C ca56cd5ab894da3174c8de0e74aaddfa [0,1,0,0,0,0|2,0,0]=3 360 B11R0.127 CNS(=O)(=O)COCNC(=O)N 75d01da6c5150a190cd32dde064d38cf [0,1,0,0,0,0|3,0,0]=4 361 B11R0.127 COS(=O)(=O)CCOCC(=O)N 1e45b92419ffc8060ee0115abbcc345c [0,1,0,0,0,0|3,0,0]=4 362 B11R0.127 COS(=O)(=O)CCOCC(=O)O dc9a758c741fbfd348acbd34e8a2f1ec [0,1,0,0,0,0|3,0,0]=4 363 B11R0.199 CC(C)(C)NCCCS(=O)(=O)C 2869634dc4d537b2ada495fd50d855f8 [0,1,0,0,0,0|2,0,1]=4 364 B11R0.199 CC(C)(C)NCCCS(=O)(=O)N 206ead6e6e74577b7bee23d64c1d7cf4 [0,1,0,0,0,0|2,0,1]=4 365 B11R0.199 CC(C)(C)NCCCS(=O)(=O)O 1f4f816a1df995a083f8fd5d34a78601 [0,1,0,0,0,0|1,0,1]=3 366 B11R0.199 CS(=O)(=O)CCNCS(=O)(=O)O 66acf9ea70c0c9526bfa9ea855052934 [0,1,0,0,0,0|3,0,0]=4 367 B11R0.199 CS(=O)(=O)CNCCS(=O)(=O)O 225f91c57a8668477bd77e0926193f73 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.199 CS(=O)(=O)COCCS(=O)(=O)O 8dfeb407a1eb8a9243993752eaa50d26 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.318 C=C(C)C(=O)NCCS(=O)(=O)O 4900cefe969a78cad19416a60003ad5d [0,1,0,0,0,0|3,0,0]=4 370 B11R0.318 C=C(CNCS(=O)(=O)O)C(=O)O d31511a2044a92f81f7f9131f1ca144a [0,1,0,0,0,0|3,0,0]=4 371 B11R0.318 CC(=O)C(=O)CNCS(=O)(=O)O 22edf3e539eea9636ce60c72dd4ca96c [0,1,0,0,0,0|2,0,0]=3 372 B11R0.318 CC(=O)C(=O)NCCS(=O)(=O)C f16bfe119b5ab34141f0b6e51573cf9f [0,1,0,0,0,0|3,0,0]=4 373 B11R0.318 CC(=O)C(=O)NCCS(=O)(=O)N 377feb99e0c5ce334d83e071dde5f815 [0,1,0,0,0,0|3,0,0]=4 374 B11R0.318 CC(=O)C(=O)NCCS(=O)(=O)O 995a72befadc2280a5926caf2d8960a4 [0,1,0,0,0,0|2,0,0]=3 375 B11R0.318 CC(=O)C(C)COCS(=O)(=O)C 00ccac9f8f75f273ef314ce915c797cf [0,1,0,0,0,0|3,0,0]=4 376 B11R0.318 CC(=O)C(C)COCS(=O)(=O)N a51d6d2ae8a32618f1b7770e38813e85 [0,1,0,0,0,0|3,0,0]=4 377 B11R0.318 CC(=O)C(C)COCS(=O)(=O)O cf5bb9ad3adee91586dc4cb39bbc74a7 [0,1,0,0,0,0|2,0,0]=3 378 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)C cc4ad66fc6ea8b36616a71ea5c38d902 [0,1,0,0,0,0|3,0,0]=4 379 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)N 3ba73c87db5f4a718f8f15c372bf25fc [0,1,0,0,0,0|3,0,0]=4 380 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)O 14d64298b9cc349a499cd776dd48a6d8 [0,1,0,0,0,0|2,0,0]=3 381 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 9facdf4484828ee63ebea0e3a5b41abc [0,1,0,0,0,0|3,0,0]=4 382 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)O e041afbb64a5ebe7ce0e9ce26c81d24f [0,1,0,0,0,0|2,0,0]=3 383 B11R0.318 CC(C)N(C)CCCS(=O)(=O)C c62f4f7dde1815618d16ba356f5ee4dd [0,1,0,0,0,0|2,0,1]=4 384 B11R0.318 CC(C)N(C)CCCS(=O)(=O)O 6337f4387445cd0a148222fda8b13bd8 [0,1,0,0,0,0|1,0,1]=3 385 B11R0.318 CC(CNCS(=O)(=O)O)C(=O)O 490cbfcef2cb5b791bae59236e19f818 [0,1,0,0,0,0|3,0,0]=4 386 B11R0.318 CC(NCCS(=O)(=O)O)C(=O)N 980ce5298ba9aaeee75241bec425da0f [0,1,0,0,0,0|3,0,0]=4 387 B11R0.318 CC(NCCS(=O)(=O)O)C(=O)O fe6d1e65a36122853dc1014f8033701b [0,1,0,0,0,0|3,0,0]=4 388 B11R0.318 CC(OCCS(=O)(=O)O)C(=O)N 8e3e3441709221ed3a8ff6f1e5d295f1 [0,1,0,0,0,0|3,0,0]=4 389 B11R0.318 C[C@@H](CNCS(=O)(=O)O)C(=O)O ee90a46712c594404f1aff9704986fde [0,1,0,0,0,0|3,0,0]=4 390 B11R0.318 C[C@@H](NCCS(=O)(=O)O)C(=O)N 32b721cb17449614f380ccefc4ffac1d [0,1,0,0,0,0|3,0,0]=4 391 B11R0.318 C[C@@H](NCCS(=O)(=O)O)C(=O)O 4480bbbddb29fa4bf1359d9df9766fd7 [0,1,0,0,0,0|3,0,0]=4 392 B11R0.318 C[C@@H](OCCS(=O)(=O)O)C(=O)N b8a71445905fd9755d84791569875f18 [0,1,0,0,0,0|3,0,0]=4 393 B11R0.318 C[C@H](CNCS(=O)(=O)O)C(=O)O 83448ce95fcb4ea20d02af66df753be9 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.318 C[C@H](NCCS(=O)(=O)O)C(=O)N ac745fb6eb298ac84e164c97406f6ea3 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.318 C[C@H](NCCS(=O)(=O)O)C(=O)O 7a6dcdc1eadd5926647708d8d0fe40dc [0,1,0,0,0,0|3,0,0]=4 396 B11R0.318 C[C@H](OCCS(=O)(=O)O)C(=O)N 86c6998e6f217a55a9b632c522efd67c [0,1,0,0,0,0|3,0,0]=4 397 B11R0.318 NC(=O)C(=O)NCCS(=O)(=O)O fbc677c2662e8ae0a2f3e1c43defeaf1 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.318 NC(=O)C(F)NCCS(=O)(=O)O b258ec0bc059d83f780d35b4d0925c45 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.318 NC(=O)C(F)OCCS(=O)(=O)O ba9f1fb7ecf2b4f82bf8f488f7cd3263 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.318 O=C(O)C(=O)CNCS(=O)(=O)O 806c26a26bcc878892e35049f6345200 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.318 O=C(O)C(F)CNCS(=O)(=O)O 201d14d604fac5b609e36186177b178c [0,1,0,0,0,0|3,0,0]=4 402 B11R0.318 O=C(O)C(O)CNCS(=O)(=O)O 9bcc066226ad802adcee97cc99456d5e [0,1,0,0,0,0|3,0,0]=4 403 B11R0.318 O=C(O)[C@@H](O)CNCS(=O)(=O)O 2a020a2b3c2706c729ea16684f265478 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.318 O=C(O)[C@H](O)CNCS(=O)(=O)O 5d7c78ecbba338a06f83f02124b825cc [0,1,0,0,0,0|3,0,0]=4 405 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)O 1b80d8cf4d861f03b1402c72bd621ed3 [0,1,0,0,0,0|3,0,0]=4 406 B11R0.337 CC(=O)CC(=O)NCS(=O)(=O)O bdfc081983c4a6de0b64f4a2edc39719 [0,1,0,0,0,0|2,0,1]=4 407 B11R0.337 CC(=O)NC(C)C=CS(=O)(=O)C 6dcd5ddb0393821c86a0e0743df6a3e6 [0,1,0,0,0,0|1,0,2]=4 408 B11R0.337 CC(=O)OC(C)NCS(=O)(=O)O a4d5d5faca105e403ede53cbb80d4870 [0,1,0,0,0,0|2,0,0]=3 409 B11R0.337 CC(CC(=O)O)NCS(=O)(=O)O 47a64591220babf074c0dc4714627eae [0,1,0,0,0,0|3,0,0]=4 410 B11R0.337 CN(CCS(=O)(=O)O)CC(=O)N 779efbf33a75b311eaaf72e1199bf110 [0,1,0,0,0,0|3,0,0]=4 411 B11R0.337 CN(CCS(=O)(=O)O)CC(=O)O 6934a626647bae88afb413e98103bb21 [0,1,0,0,0,0|3,0,0]=4 412 B11R0.337 C[C@@H](CC(=O)O)NCS(=O)(=O)O 83e275b91cd48b14611cc47c65238e15 [0,1,0,0,0,0|3,0,0]=4 413 B11R0.337 C[C@H](CC(=O)O)NCS(=O)(=O)O 98d28bb68919956cb8a494552214f270 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.76 CS(=O)(=O)CN1CNC(=O)C1 9ac241bae75fb1a8152f9567d3dee877 [0,0,0,1,0,0|2,0,0]=3 415 B11R1.76 NS(=O)(=O)CN1CNC(=O)C1 4d5e687615dfebf39f8b3f7b94b83845 [0,0,0,1,0,0|2,0,0]=3 416 B11R1.76 O=C1CN(CN1)CS(=O)(=O)O 8c00b301f8fcfc2f9c0264c65b399ba2 [0,0,0,1,0,0|1,0,0]=2 417 B11R1.343 CS(=O)(=O)CCCNC1CC1 2728cc45c84883b6c6dbde253d859c8a [0,0,0,1,0,0|2,0,1]=4 418 B11R1.343 NS(=O)(=O)CCCNC1CC1 9a329c1c2bbd7b06db5ce13f30af9c42 [0,0,0,1,0,0|2,0,1]=4 419 B11R1.343 O=S(=O)(O)CCCNC1CC1 13c084a0a20502c707152e06680293fc [0,0,0,1,0,0|1,0,1]=3 420 B11R1.343 O=S(=O)(O)CCCOC1CC1 4bc7664bc9032aed22fa71d1a8d28fc8 [0,0,0,1,0,0|2,0,1]=4 421 B11R1.343 O=S(=O)(O)OCCNC1CC1 8b92f514d7b3b52a35ec3ac1dc28bd21 [0,0,0,1,0,0|2,0,1]=4 422 B11R1.577 CS(=O)(=O)COC1CC(=O)C1 d65698ae559f830ed2bf735a728a05af [0,0,0,1,0,0|3,0,0]=4 423 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 9f14726f35e885a78c8be40681faf2ad [0,0,0,1,0,0|1,0,0]=2 424 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 a240841e8d4847e0a1719ac732cbd480 [0,0,0,1,0,0|2,0,1]=4 425 B11R1.714 CC(=O)NCC1CC(O1)(C)C 7d5ad48810cccf7a7548cc3b5e0096cb [0,0,0,1,0,0|3,0,0]=4 426 B11R1.714 CC(=O)NCC1CS(=O)(=O)C1 617d87b246467c2fd4f0b1cbe4707ece [0,0,0,1,0,0|1,0,0]=2 427 B11R1.714 CC(=O)NC[C@H]1C[C@@](C1)(C)O b60a94bf3e19c1d0c6f221d31662fcf5 [0,0,0,1,0,0|3,0,0]=4 428 B11R1.714 CC(=O)NC[C@H]1C[C@](C1)(C)O f16fa9a0d8bd209bf47fecaa9e5f199f [0,0,0,1,0,0|3,0,0]=4 429 B11R1.714 CC(C)NCC1CS(=O)(=O)C1 60825731791d0d06378a69c8a6a1522b [0,0,0,1,0,0|2,0,1]=4 430 B11R1.730 CC(=O)N1CCCC(C1)(C)O 0918cd23eb91f0c098327cef690453da [0,0,0,1,0,0|3,0,0]=4 431 B11R1.730 CC(=O)N1CCC[C@@](C1)(C)O d72efd118cf067ad44ec4ad0f4a4ca71 [0,0,0,1,0,0|3,0,0]=4 432 B11R1.730 CC(=O)N1CCC[C@](C1)(C)O 18053dea614b2c86e5e9cfbc421d3525 [0,0,0,1,0,0|3,0,0]=4 433 B9R0.56 C=C(Br)CNCS(=O)(=O)O 1d3005328956d5373ed96cd3c42192f7 [0,0,0,0,1,0|2,0,1]=4 434 B9R0.56 C=C(C)CNCS(=O)(=O)C a791e7691cf9974206ada9212317ff42 [0,0,0,0,1,0|3,0,0]=4 435 B9R0.56 C=C(C)CNCS(=O)(=O)N 8615a3ec3de43ce6a5129fbfa6e785f5 [0,0,0,0,1,0|3,0,0]=4 436 B9R0.56 C=C(C)CNCS(=O)(=O)O e8c1278698215b86e475f53bfad527ee [0,0,0,0,1,0|2,0,0]=3 437 B9R0.56 C=C(C)COCS(=O)(=O)C becc83c5294e4376a5807ba425c6e031 [0,0,0,0,1,0|3,0,0]=4 438 B9R0.56 C=C(Cl)CNCS(=O)(=O)O a1840932f9ac0b7d7be9d33b31e179c6 [0,0,0,0,1,0|2,0,1]=4 439 B9R0.56 C=C(F)CNCS(=O)(=O)O 072cbaa5f4df2948aa6467e681c62557 [0,0,0,0,1,0|2,0,1]=4 440 B9R0.56 CC(=O)CNCS(=O)(=O)C 52b856da5ab82703034eaf4210b04f94 [0,0,0,0,1,0|2,0,0]=3 441 B9R0.56 CC(=O)CNCS(=O)(=O)O 712d8b43937747273cb692fdc63fc242 [0,0,0,0,1,0|1,0,0]=2 442 B9R0.56 CC(=O)COCS(=O)(=O)C 6d247ef15992b9c199a5d5886cb0b4c5 [0,0,0,0,1,0|2,0,0]=3 443 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [0,0,0,0,1,0|3,0,0]=4 444 B9R0.56 CC(=O)NCCS(=O)(=O)C daa3f1a9f9b43f4eedfd7954be956955 [0,0,0,0,1,0|1,0,0]=2 445 B9R0.56 CC(=O)NCCS(=O)(=O)N f9dabafd5ed75fdf3971bc071c141883 [0,0,0,0,1,0|1,0,0]=2 446 B9R0.56 CC(=O)NCCS(=O)(=O)O c053345e0f02d01d048af65c3537a20f [0,0,0,0,1,0|0,0,0]=1 447 B9R0.56 CC(C)CNCS(=O)(=O)O 06ea36422d40a04e8d17bec6a0d1b739 [0,0,0,0,1,0|2,0,1]=4 448 B9R0.56 CC(C)NCCS(=O)(=O)C 4d1c4c3a1e7d7d1746d0b4119d5f35e3 [0,0,0,0,1,0|2,0,1]=4 449 B9R0.56 CC(C)NCCS(=O)(=O)N 8e4b2de7b7fe2ac714b39945bf8b22ad [0,0,0,0,1,0|2,0,1]=4 450 B9R0.56 CC(C)NCCS(=O)(=O)O 90a72a74a58be8e35c81b005d922329f [0,0,0,0,1,0|1,0,1]=3 451 B9R0.56 CC(C)OCCS(=O)(=O)O cab02f1ba5f064bd08e4e21b62c5e9c1 [0,0,0,0,1,0|2,0,1]=4 452 B9R0.56 CC(O)CNCS(=O)(=O)O 9833777068faff11c608681308128014 [0,0,0,0,1,0|1,0,2]=4 453 B9R0.56 CN(C)CNCS(=O)(=O)O ee970242647676c7489cc61e0b46a53f [0,0,0,0,1,0|3,0,0]=4 454 B9R0.56 CS(=O)(=O)CNCC(=O)N 1e35edbddfafe98f55be56bae3181e68 [0,0,0,0,1,0|3,0,0]=4 455 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,0,0,0,1,0|3,0,0]=4 456 B9R0.56 CS(=O)(=O)COCC(=O)N d8c112e90b537e760cc792be4f809e58 [0,0,0,0,1,0|3,0,0]=4 457 B9R0.56 CS(=O)(=O)COCC(=O)O dca250325b5ffe688b8783789ecabd22 [0,0,0,0,1,0|3,0,0]=4 458 B9R0.56 C[C@@H](O)CNCS(=O)(=O)O 4a36463c0e4c45f5f46823404a9c28bb [0,0,0,0,1,0|1,0,2]=4 459 B9R0.56 C[C@H](O)CNCS(=O)(=O)O cf0b5af3b68f8b8d396de06968b21638 [0,0,0,0,1,0|1,0,2]=4 460 B9R0.56 NC(=O)CNCS(=O)(=O)O ed641d26cadfb9339bbb43f1eb50b857 [0,0,0,0,1,0|2,0,0]=3 461 B9R0.56 O=C(O)CNCS(=O)(=O)O 06072f2cdfb3fe18c19d4842e5550970 [0,0,0,0,1,0|2,0,0]=3 462 B9R0.56 O=[N+]([O-])CNCS(=O)(=O)O 7a990d9eecde315a15b3d142223b889e [0,0,0,0,1,0|3,0,0]=4 463 B11R0.31 C/C(=C/CNCCS(=O)(=O)C)/I 766cb6834d9fc27171ed2a9592fbf485 [0,0,0,0,0,1|3,0,0]=4 464 B11R0.31 C/C(=C/CNCCS(=O)(=O)N)/I 280d37d6e1d7e1ce95a38d6f58688d56 [0,0,0,0,0,1|3,0,0]=4 465 B11R0.31 C/C(=C/CNCCS(=O)(=O)O)/I 622a10df9df4fcfde06f4ddea24cf357 [0,0,0,0,0,1|2,0,0]=3 466 B11R0.31 C/C(=C/COCCS(=O)(=O)C)/Cl 45ea9c9235d2624f9a0bd81e327df503 [0,0,0,0,0,1|3,0,0]=4 467 B11R0.31 C/C(=C/COCCS(=O)(=O)C)/I 582b14011b4332147f12978ea9700abc [0,0,0,0,0,1|3,0,0]=4 468 B11R0.31 C/C(=C/COCCS(=O)(=O)N)/I cc5b90b328483f25516ae5954e5f269a [0,0,0,0,0,1|3,0,0]=4 469 B11R0.31 C/C(=C/COCCS(=O)(=O)O)/Cl c74df8efaf19bcbef34095844124a32a [0,0,0,0,0,1|2,0,0]=3 470 B11R0.31 C/C(=C/COCCS(=O)(=O)O)/I cf9b4f99c579ae0d42c39ff2e0ab92be [0,0,0,0,0,1|2,0,0]=3 471 B11R0.31 C/C(=C\CNCCS(=O)(=O)C)/Cl 7ca45e096be3fb5bd603303d4af94ba8 [0,0,0,0,0,1|3,0,0]=4 472 B11R0.31 C/C(=C\CNCCS(=O)(=O)N)/Cl 2cf7665e95aca1a8c0868660543f6415 [0,0,0,0,0,1|3,0,0]=4 473 B11R0.31 C/C(=C\CNCCS(=O)(=O)O)/Cl 4442f16b619e0d3ee77a6c2a16fccfd5 [0,0,0,0,0,1|2,0,0]=3 474 B11R0.31 C/C(=C\COCCS(=O)(=O)C)/Cl f9553718ec0539a8572dff44afda1d20 [0,0,0,0,0,1|3,0,0]=4 475 B11R0.31 C/C(=C\COCCS(=O)(=O)N)/Cl 69fe420263df9b3bfc741600410250e1 [0,0,0,0,0,1|3,0,0]=4 476 B11R0.31 C/C(=C\COCCS(=O)(=O)O)/Cl a043adbf8d537ee2a8cec0a04ddb9de8 [0,0,0,0,0,1|2,0,0]=3 477 B11R0.31 C=C(Br)CCOCCS(=O)(=O)O 45d55174c6ede9427733fb6d3ef6d839 [0,0,0,0,0,1|2,0,1]=4 478 B11R0.31 C=C(Br)CNCCCS(=O)(=O)C e7ad5f772f298ea390a60c9fb0c0040e [0,0,0,0,0,1|2,0,1]=4 479 B11R0.31 C=C(Br)CNCCCS(=O)(=O)N 9e326b207038c9ffac88229054fcec56 [0,0,0,0,0,1|2,0,1]=4 480 B11R0.31 C=C(Br)CNCCCS(=O)(=O)O bd0a895c48f1f1a5a8fae08afdbea896 [0,0,0,0,0,1|1,0,1]=3 481 B11R0.31 C=C(Br)CNCCOS(=O)(=O)O 4114dbf4a13e9ab68dd3be3991562857 [0,0,0,0,0,1|2,0,1]=4 482 B11R0.31 C=C(Br)COCCCS(=O)(=O)O d12c18d27a8a5f298eb00d36c17274c2 [0,0,0,0,0,1|2,0,1]=4 483 B11R0.31 C=C(C)CCCNCS(=O)(=O)O 561ea4c488d841eaaa5bf001ec1a1687 [0,0,0,0,0,1|2,0,0]=3 484 B11R0.31 C=C(C)CCCOCS(=O)(=O)C 4fd38a06c8c2afc3d1a3c9d19f07a5b2 [0,0,0,0,0,1|3,0,0]=4 485 B11R0.31 C=C(C)CCNCCS(=O)(=O)C 6c0cd9bfb6046545377b8f486ba8e907 [0,0,0,0,0,1|3,0,0]=4 486 B11R0.31 C=C(C)CCNCCS(=O)(=O)N 790aaf238e4961ee223c27a9e88dd33b [0,0,0,0,0,1|3,0,0]=4 487 B11R0.31 C=C(C)CCNCCS(=O)(=O)O 0f09fad8b34af4319a3c77cd072bc58e [0,0,0,0,0,1|2,0,0]=3 488 B11R0.31 C=C(C)CCOCCS(=O)(=O)C 0522224a6293dad606ce1ddeca4dca74 [0,0,0,0,0,1|3,0,0]=4 489 B11R0.31 C=C(C)CCOCCS(=O)(=O)N e001bcf7c4abe9c36c736e3e04b7a462 [0,0,0,0,0,1|3,0,0]=4 490 B11R0.31 C=C(C)CCOCCS(=O)(=O)O b152a24a5dd9d970e11c4447c7b325c6 [0,0,0,0,0,1|2,0,0]=3 491 B11R0.31 C=C(C)CNCCCS(=O)(=O)C 3e06d949d6748f46496e3164adb98d45 [0,0,0,0,0,1|2,0,0]=3 492 B11R0.31 C=C(C)CNCCCS(=O)(=O)N 7d939c0be036dba2734b8948abee97de [0,0,0,0,0,1|2,0,0]=3 493 B11R0.31 C=C(C)CNCCCS(=O)(=O)O 58d4cce6126c973e9966156f3859de2b [0,0,0,0,0,1|1,0,0]=2 494 B11R0.31 C=C(C)CNCCNS(=O)(=O)C 1cdbbf4fd53d5cb6849a7e9a935eb1dd [0,0,0,0,0,1|3,0,0]=4 495 B11R0.31 C=C(C)CNCCNS(=O)(=O)Cl 130f44ace9b2a5c94cf1c5333cfef3d4 [0,0,0,0,0,1|3,0,0]=4 496 B11R0.31 C=C(C)CNCCOS(=O)(=O)C 502967f5fc1d1060aed667859db1e7b4 [0,0,0,0,0,1|3,0,0]=4 497 B11R0.31 C=C(C)CNCCOS(=O)(=O)O dc5736485f8c6a18e8b9ee0631faefa9 [0,0,0,0,0,1|2,0,0]=3 498 B11R0.31 C=C(C)COCCCS(=O)(=O)C c8de4bd5cee0793cd48e5ae58c23c5e3 [0,0,0,0,0,1|3,0,0]=4 499 B11R0.31 C=C(C)COCCCS(=O)(=O)N 88e8097f2b19ad450a3386c668090d81 [0,0,0,0,0,1|3,0,0]=4 500 B11R0.31 C=C(C)COCCCS(=O)(=O)O 1cb02bd03faeed6282caac608f871381 [0,0,0,0,0,1|2,0,0]=3 501 B11R0.31 C=C(Cl)CNCCCS(=O)(=O)C 1702d150b00ed561a1046bd457675b77 [0,0,0,0,0,1|2,0,1]=4 502 B11R0.31 C=C(Cl)CNCCCS(=O)(=O)O 0f531356f1a95d6582c25308dc52b1de [0,0,0,0,0,1|1,0,1]=3 503 B11R0.31 C=C(Cl)CNCCOS(=O)(=O)O 6ec3898b7503e88d4164d2dbf6ebb730 [0,0,0,0,0,1|2,0,1]=4 504 B11R0.31 C=C(Cl)COCCCS(=O)(=O)O 1951284c9eb2b8a420e7aa5af3cd9f47 [0,0,0,0,0,1|2,0,1]=4 505 B11R0.31 C=C(F)CNCCCS(=O)(=O)O d8233a2ffce73a33af5445a50c07265b [0,0,0,0,0,1|1,0,1]=3 506 B11R0.31 C=C(F)CNCCOS(=O)(=O)O f5647ba2a2bc0d96374a5049a8b66222 [0,0,0,0,0,1|2,0,1]=4 507 B11R0.31 C=C(F)COCCCS(=O)(=O)O c1ed861e46da7aa05f5ae37598e760cc [0,0,0,0,0,1|2,0,1]=4 508 B11R0.31 C=C(I)COCCCS(=O)(=O)O a165ad90fe3f312c5b3d257546565eb3 [0,0,0,0,0,1|2,0,1]=4 509 B11R0.31 CC(=CCCNCS(=O)(=O)O)C aad4975fdcbfacecac09c4cd6e9da9bb [0,0,0,0,0,1|2,0,0]=3 510 B11R0.31 CC(=CCNCCS(=O)(=O)C)C 79efacf97fa4e21b5b8c0a48ab9e1c73 [0,0,0,0,0,1|3,0,0]=4 511 B11R0.31 CC(=CCNCCS(=O)(=O)C)Cl c4ebec858a88a384e2042e48c2a994cc [0,0,0,0,0,1|3,0,0]=4 512 B11R0.31 CC(=CCNCCS(=O)(=O)C)I 166eb6ef4126bcb9c64480de06fdcd98 [0,0,0,0,0,1|3,0,0]=4 513 B11R0.31 CC(=CCNCCS(=O)(=O)N)C 0379ccb14f9b20ea50b827bd1ae53b21 [0,0,0,0,0,1|3,0,0]=4 514 B11R0.31 CC(=CCNCCS(=O)(=O)N)Cl c5c77f552a5385a464641066f398b010 [0,0,0,0,0,1|3,0,0]=4 515 B11R0.31 CC(=CCNCCS(=O)(=O)N)I 8f09329db988897fd29bcdc632c377d4 [0,0,0,0,0,1|3,0,0]=4 516 B11R0.31 CC(=CCNCCS(=O)(=O)O)C 0fb1075f60bed558f14852f290fb9f53 [0,0,0,0,0,1|2,0,0]=3 517 B11R0.31 CC(=CCNCCS(=O)(=O)O)Cl d8cbf6a7059c5c5568b9f4e1f97233eb [0,0,0,0,0,1|2,0,0]=3 518 B11R0.31 CC(=CCNCCS(=O)(=O)O)I f0459b71a6e6fecedb27bbd7e131cf35 [0,0,0,0,0,1|2,0,0]=3 519 B11R0.31 CC(=CCOCCS(=O)(=O)C)C ec2b69da1048424b72c43ca522eca3d9 [0,0,0,0,0,1|3,0,0]=4 520 B11R0.31 CC(=CCOCCS(=O)(=O)C)Cl 98cc7cf54fe54e9ec868912bfe20fefd [0,0,0,0,0,1|3,0,0]=4 521 B11R0.31 CC(=CCOCCS(=O)(=O)C)I ebbd432f91c3b188c93c44f922c6a828 [0,0,0,0,0,1|3,0,0]=4 522 B11R0.31 CC(=CCOCCS(=O)(=O)N)C cebb5895e99d7dbfec2e2016a8f2e73a [0,0,0,0,0,1|3,0,0]=4 523 B11R0.31 CC(=CCOCCS(=O)(=O)N)Cl 6751421052b4f2df80e3ad716d7321d2 [0,0,0,0,0,1|3,0,0]=4 524 B11R0.31 CC(=CCOCCS(=O)(=O)N)I a9774e882a884ee853c10691c351bc51 [0,0,0,0,0,1|3,0,0]=4 525 B11R0.31 CC(=CCOCCS(=O)(=O)O)C 503700faad52eb41ec12bc5f256e7fd9 [0,0,0,0,0,1|2,0,0]=3 526 B11R0.31 CC(=CCOCCS(=O)(=O)O)Cl 100a0c60dd529856f3ece67883e05060 [0,0,0,0,0,1|2,0,0]=3 527 B11R0.31 CC(=CCOCCS(=O)(=O)O)I d165a1863fac4dc5e6d713fe39322793 [0,0,0,0,0,1|2,0,0]=3 528 B11R0.31 CC(=O)CCCNCS(=O)(=O)O b9dcdbcd5066a5422c5230215b365a98 [0,0,0,0,0,1|1,0,0]=2 529 B11R0.31 CC(=O)CCCOCS(=O)(=O)C fa53834256e9dd1d802b02adb0b04ec1 [0,0,0,0,0,1|2,0,0]=3 530 B11R0.31 CC(=O)CCNCCS(=O)(=O)C a309921611a4a36a102b6dc01f5b235f [0,0,0,0,0,1|2,0,0]=3 531 B11R0.31 CC(=O)CCNCCS(=O)(=O)N 6924a7e152bd9104b405a4d33128e146 [0,0,0,0,0,1|2,0,0]=3 532 B11R0.31 CC(=O)CCNCCS(=O)(=O)O 7630a25e16d6184d18a282048944947f [0,0,0,0,0,1|1,0,0]=2 533 B11R0.31 CC(=O)CCOCCS(=N)(=O)C c5e97f1335a6d4e8e7e6f9ec47534037 [0,0,0,0,0,1|3,0,0]=4 534 B11R0.31 CC(=O)CCOCCS(=O)(=O)C 33d7164dac72cd0fb1c04a6105ffe5a4 [0,0,0,0,0,1|2,0,0]=3 535 B11R0.31 CC(=O)CCOCCS(=O)(=O)N abb6344caad59e6e5b30df9fe4a4838d [0,0,0,0,0,1|2,0,0]=3 536 B11R0.31 CC(=O)CCOCCS(=O)(=O)O 9048d97c0ea44f612dc8c8792f9939a2 [0,0,0,0,0,1|1,0,0]=2 537 B11R0.31 CC(=O)CCOCOS(=O)(=O)Cl 1337fa4a85b2e6a6e4497b042c84ddcc [0,0,0,0,0,1|3,0,0]=4 538 B11R0.31 CC(=O)CNCCCC(C)(C)O 7eecf0360d7fcac09b5ceb1e855c5134 [0,0,0,0,0,1|3,0,0]=4 539 B11R0.31 CC(=O)CNCCCS(=O)(=O)C c54a244d7c37911ce1d3d888c251876f [0,0,0,0,0,1|1,0,0]=2 540 B11R0.31 CC(=O)CNCCCS(=O)(=O)N c674490d5027e14b7ab30ed7b0ac841d [0,0,0,0,0,1|1,0,0]=2 541 B11R0.31 CC(=O)CNCCCS(=O)(=O)O 1fdf096f8baf6d00eb67d43e63004024 [0,0,0,0,0,1|0,0,0]=1 542 B11R0.31 CC(=O)CNCCNS(=O)(=O)C f157988d06e9fd0b38a8a65ed256aa6f [0,0,0,0,0,1|2,0,0]=3 543 B11R0.31 CC(=O)CNCCNS(=O)(=O)Cl 653aec96197067cecd13925b3e8ca107 [0,0,0,0,0,1|2,0,0]=3 544 B11R0.31 CC(=O)CNCCOS(=O)(=O)C 9c1cc38a9abb1c56704c1641a323c774 [0,0,0,0,0,1|2,0,0]=3 545 B11R0.31 CC(=O)COCCCS(=O)(=O)C 819b742272187958fe0acb81c4691bda [0,0,0,0,0,1|2,0,0]=3 546 B11R0.31 CC(=O)COCCCS(=O)(=O)N cfc038f9a8b88c13b7ea32298e1366b1 [0,0,0,0,0,1|2,0,0]=3 547 B11R0.31 CC(=O)COCCCS(=O)(=O)O 52dc9b7874978101f7dbc555b3cd1828 [0,0,0,0,0,1|1,0,0]=2 548 B11R0.31 CC(=O)COCCNS(=O)(=O)C 4bd7a47753bbcc1d3642bdc40328dd4b [0,0,0,0,0,1|3,0,0]=4 549 B11R0.31 CC(=O)COCCNS(=O)(=O)Cl d6c070a4d7b03aa0c7c769eff34efdf4 [0,0,0,0,0,1|3,0,0]=4 550 B11R0.31 CC(=O)COCCOS(=O)(=O)C e71cfd4c362b3dda4b2b8cf2744ed66b [0,0,0,0,0,1|3,0,0]=4 551 B11R0.31 CC(=O)NCCCCS(=O)(=O)C 22ce969cadbf7ceedf80ea5483946c42 [0,0,0,0,0,1|1,0,0]=2 552 B11R0.31 CC(=O)NCCCNS(=O)(=O)C b69e9192edef570e1096a05be219d130 [0,0,0,0,0,1|1,0,0]=2 553 B11R0.31 CC(=O)NCCNCC(C)(C)O 65faab09f6b67f1998d436c2ac5476ca [0,0,0,0,0,1|3,0,0]=4 554 B11R0.31 CC(=O)NCCNCS(=O)(=O)C 2a35fe83174f59fbd72a6cf77ba879f2 [0,0,0,0,0,1|1,0,0]=2 555 B11R0.31 CC(=O)NCCNCS(=O)(=O)N 8e33062877c9541d2ee3623de115689f [0,0,0,0,0,1|1,0,0]=2 556 B11R0.31 CC(=O)NCCNCS(=O)(=O)O 9285755e45e0d5560eb76fe2a41dc887 [0,0,0,0,0,1|0,0,0]=1 557 B11R0.31 CC(=O)NCCOCC(C)(C)O 6d1136fd1bf1ef69d03e5d7d86c3f609 [0,0,0,0,0,1|3,0,0]=4 558 B11R0.31 CC(=O)NCCOCS(=O)(=O)C aa006f05bbf5c26b964f1dcf0d937e85 [0,0,0,0,0,1|1,0,0]=2 559 B11R0.31 CC(=O)NCOCCC(C)(C)O cd13479de2063c33f0f161264a8e64ae [0,0,0,0,0,1|3,0,0]=4 560 B11R0.31 CC(=O)NCOCCS(=O)(=O)C 4bd3ca75d4ce552bbbabe3cbcdc77500 [0,0,0,0,0,1|1,0,0]=2 561 B11R0.31 CC(=O)NCOCCS(=O)(=O)O a4d7ee695be8c819f96cacec1b877f39 [0,0,0,0,0,1|0,0,0]=1 562 B11R0.31 CC(=O)NCOCOS(=O)(=O)Cl a6e381f483c5383742d5af788d890c24 [0,0,0,0,0,1|2,0,0]=3 563 B11R0.31 CC(=O)OCCNCS(=O)(=O)O 1ab7d184760c9f98668946c5991a247c [0,0,0,0,0,1|1,0,0]=2 564 B11R0.31 CC(=O)OCCOCS(=O)(=O)C 311ef32f1bcfd9fdca3942b6ed8329b4 [0,0,0,0,0,1|2,0,0]=3 565 B11R0.31 CC(=O)OCCOCS(=O)(=O)N 324a15585b49aa02429aa04c2ef7a3dd [0,0,0,0,0,1|2,0,0]=3 566 B11R0.31 CC(=O)OCCOCS(=O)(=O)O 8b0a8f51bfc8b377f9fb9d73407d5b78 [0,0,0,0,0,1|1,0,0]=2 567 B11R0.31 CC(=O)OCNCCS(=O)(=O)C 8d954b52f8b331b0975030cd1871d913 [0,0,0,0,0,1|2,0,0]=3 568 B11R0.31 CC(=O)OCNCCS(=O)(=O)N 8a44436fb2156c071ee3351ca383a609 [0,0,0,0,0,1|2,0,0]=3 569 B11R0.31 CC(=O)OCNCCS(=O)(=O)O ff725acb9f7ab65c455b23fee8d7e8f0 [0,0,0,0,0,1|1,0,0]=2 570 B11R0.31 CC(=O)OCOCCS(=N)(=O)C 0bb8d0a9bc8ea214ec2116053bccaca4 [0,0,0,0,0,1|3,0,0]=4 571 B11R0.31 CC(=O)OCOCCS(=O)(=O)C e0c63690c461fb320161e8236f58369f [0,0,0,0,0,1|2,0,0]=3 572 B11R0.31 CC(=O)OCOCCS(=O)(=O)N af6ca01da9d2e72d5180577ad2b69361 [0,0,0,0,0,1|2,0,0]=3 573 B11R0.31 CC(=O)OCOCCS(=O)(=O)O 0da83a70d102ad432c8ab2a7b131b569 [0,0,0,0,0,1|1,0,0]=2 574 B11R0.31 CC(=O)SCCNCS(=O)(=O)O 5dfb3328efc9baa5dbd5ac22236ed72a [0,0,0,0,0,1|1,0,0]=2 575 B11R0.31 CC(C)CCCNCS(=O)(=O)O a4242c75f720cad21de48f280eb50e89 [0,0,0,0,0,1|2,0,1]=4 576 B11R0.31 CC(C)CCCOCS(=O)(=O)O 80c9862f14c9540c4f584e72dacd86bf [0,0,0,0,0,1|2,0,1]=4 577 B11R0.31 CC(C)CCNCCS(=O)(=O)O e8b0a28f30a187466d64a047f35c64c3 [0,0,0,0,0,1|2,0,1]=4 578 B11R0.31 CC(C)CCOCCS(=O)(=O)O 2d905408bdd2bb0fdd9d99cb15a95d48 [0,0,0,0,0,1|2,0,1]=4 579 B11R0.31 CC(C)CNCCCS(=O)(=O)C 7778ba34d6691ac6ade78b9a762e8fbd [0,0,0,0,0,1|2,0,1]=4 580 B11R0.31 CC(C)CNCCCS(=O)(=O)N 31a04e6c4a6aee63eb45948170df59bb [0,0,0,0,0,1|2,0,1]=4 581 B11R0.31 CC(C)CNCCCS(=O)(=O)O 89bd57bec852ab36b43d72e1a714e1eb [0,0,0,0,0,1|1,0,1]=3 582 B11R0.31 CC(C)CNCCOS(=O)(=O)O d625b2e5d59dfee6897d3ab0af90f265 [0,0,0,0,0,1|2,0,1]=4 583 B11R0.31 CC(C)COCCCS(=O)(=O)O b748986e11e4885b2e4c2d22acbccdbe [0,0,0,0,0,1|2,0,1]=4 584 B11R0.31 CC(C)NCCCCS(=O)(=O)C 7c7843525a72f4b96e81dddc5f1bf129 [0,0,0,0,0,1|2,0,1]=4 585 B11R0.31 CC(C)NCCCNS(=O)(=O)C 677ba7a3745ff191ed02b65a28d3699a [0,0,0,0,0,1|2,0,1]=4 586 B11R0.31 CC(C)OCCCCS(=O)(=O)O 32fc9398566c18f07936a3d28de4445b [0,0,0,0,0,1|2,0,1]=4 587 B11R0.31 CC(C)OCCCNS(=O)(=O)O c920cef6fb3691891905d98d30e87e3f [0,0,0,0,0,1|2,0,1]=4 588 B11R0.31 CC(C)OCCNCS(=O)(=O)O 66780dcb14af418b4b2dcfb2e562e1ad [0,0,0,0,0,1|2,0,1]=4 589 B11R0.31 CC(C)OCNCCS(=O)(=O)O f27567064accf47468910180270c6abc [0,0,0,0,0,1|2,0,1]=4 590 B11R0.31 CC(C)OCOCCS(=O)(=O)O 949acefabb4ef8806bf7de60491f0d4b [0,0,0,0,0,1|2,0,1]=4 591 B11R0.31 CC(C)SCCNCS(=O)(=O)O abc715c88579eacc29685e2b723a9a19 [0,0,0,0,0,1|2,0,1]=4 592 B11R0.31 CC(C)SCCOCS(=O)(=O)O 5d71c90a06a2bbb2f32aed4ddcea85c0 [0,0,0,0,0,1|2,0,1]=4 593 B11R0.31 CC(F)COCCCS(=O)(=O)O bf095939e5c86b69d514093c75601d7c [0,0,0,0,0,1|2,0,1]=4 594 B11R0.31 CC(O)CCCNCS(=O)(=O)O 3c47a96ceafb5d8e8998b68921272a00 [0,0,0,0,0,1|1,0,2]=4 595 B11R0.31 CC(O)CCNCCS(=O)(=O)O 5cab6b839f09493dd3dbb36b7444e0c4 [0,0,0,0,0,1|1,0,2]=4 596 B11R0.31 CC(O)CNCCCS(=O)(=O)C 4797deb0167463b2be3f3c9421a20bda [0,0,0,0,0,1|1,0,2]=4 597 B11R0.31 CC(O)CNCCCS(=O)(=O)N 6c47fe4614770bce106140b391a79e39 [0,0,0,0,0,1|1,0,2]=4 598 B11R0.31 CC(O)CNCCCS(=O)(=O)O 6e0f17bde3c8ccd028f7bd26da726f07 [0,0,0,0,0,1|0,0,2]=3 599 B11R0.31 CC(O)CNCCOS(=O)(=O)O fcafc2e60226ebe6b43c08e4072b13f1 [0,0,0,0,0,1|1,0,2]=4 600 B11R0.31 CC(S)COCCCS(=O)(=O)O 7c76c11fb0ff5e003b2f09894b455f12 [0,0,0,0,0,1|1,1,1]=4 601 B11R0.31 CN(C)CCCNCS(=O)(=O)O dbb4ed20deb313d93e8d7ebe9994c63d [0,0,0,0,0,1|3,0,0]=4 602 B11R0.31 CN(C)CCCOCS(=O)(=O)O 34c89f83ad30dbdab308dd29f00cbbff [0,0,0,0,0,1|3,0,0]=4 603 B11R0.31 CN(C)CCNCCS(=O)(=O)O f2e0421f743d1a45c27cc1b889d168d1 [0,0,0,0,0,1|3,0,0]=4 604 B11R0.31 CN(C)CCOCCS(=O)(=O)O bd311d14bb46c9ccc21ee18634fd4d12 [0,0,0,0,0,1|3,0,0]=4 605 B11R0.31 CN(C)CNCCCS(=O)(=O)C e8d1c4b975531362a958101c12fa02a6 [0,0,0,0,0,1|3,0,0]=4 606 B11R0.31 CN(C)CNCCCS(=O)(=O)N e4ed3923fc78951bc41b73673b2dd5f9 [0,0,0,0,0,1|3,0,0]=4 607 B11R0.31 CN(C)CNCCCS(=O)(=O)O 709df742538c26e82aeafb1913db82b5 [0,0,0,0,0,1|2,0,0]=3 608 B11R0.31 CN(C)CNCCOS(=O)(=O)O 2654cf1944d290c520e216c39b2bd108 [0,0,0,0,0,1|3,0,0]=4 609 B11R0.31 CN(C)COCCCS(=O)(=O)O 99538cab6b119b7dd57bf0c9529136a7 [0,0,0,0,0,1|3,0,0]=4 610 B11R0.31 CS(=O)(=O)CCCNCC(=O)N 5120a195772585139d2e49166a7e4ef0 [0,0,0,0,0,1|2,0,0]=3 611 B11R0.31 CS(=O)(=O)CCCNCC(=O)O 74e3aa87879195ee9260dae73bcd34ef [0,0,0,0,0,1|2,0,0]=3 612 B11R0.31 CS(=O)(=O)CCCNC[N+](=O)[O-] ae7418baca398a8e0cad8edb891fff03 [0,0,0,0,0,1|3,0,0]=4 613 B11R0.31 CS(=O)(=O)CCCOCC(=O)N dc67204b73fde5ab57b28217b6afe187 [0,0,0,0,0,1|3,0,0]=4 614 B11R0.31 CS(=O)(=O)CCCOCC(=O)O 2a4eb1aaf9f1023cca16a586871e6caa [0,0,0,0,0,1|3,0,0]=4 615 B11R0.31 CS(=O)(=O)CCNCCC(=O)N 0cc4d416b6e8f336cb123cfb0ed71b7b [0,0,0,0,0,1|3,0,0]=4 616 B11R0.31 CS(=O)(=O)CCNCCC(=O)O 4da86e36fca39d9509d36582b7fdad85 [0,0,0,0,0,1|3,0,0]=4 617 B11R0.31 CS(=O)(=O)CCNCSC(=O)N 7ca7f3fe0acff8e6d35be1021d9f2ddb [0,0,0,0,0,1|3,0,0]=4 618 B11R0.31 CS(=O)(=O)CCOCCC(=O)N 4f1676535ed90a00f05e2e5ae8a6e2fa [0,0,0,0,0,1|3,0,0]=4 619 B11R0.31 CS(=O)(=O)CCOCCC(=O)O 7b3ef1c619f0f77b064ca9c795200b2a [0,0,0,0,0,1|3,0,0]=4 620 B11R0.31 CS(=O)(=O)CCOCNC(=O)N cc61172842341d2882ecb6c850f254a0 [0,0,0,0,0,1|2,0,0]=3 621 B11R0.31 CS(=O)(=O)CCOCSC(=O)N da2d5e31ccb7c2057493e41c902c2ddf [0,0,0,0,0,1|3,0,0]=4 622 B11R0.31 CS(=O)(=O)CNCCCC(=O)N 7fd1e7fc359aef594cac0d8acc414b14 [0,0,0,0,0,1|3,0,0]=4 623 B11R0.31 CS(=O)(=O)CNCCNC(=S)N 06e87b35bfc6cb3cc817fca10a05d2b0 [0,0,0,0,0,1|2,1,0]=4 624 B11R0.31 CS(=O)(=O)COCCCC(=O)N e019252c84b797388a2ab6e4a7296d4c [0,0,0,0,0,1|3,0,0]=4 625 B11R0.31 CS(=O)(=O)COCCNC(=O)N c5f6722a2df6996fbbb5b0230aeec435 [0,0,0,0,0,1|2,0,0]=3 626 B11R0.31 CS(=O)(=O)COCCNC(=S)N fd83873e977d7be43c63002c517de830 [0,0,0,0,0,1|2,1,0]=4 627 B11R0.31 CS(=O)(=O)NCCNCC(=O)N 99b313eee60a5b72e60084f6890f2f1a [0,0,0,0,0,1|3,0,0]=4 628 B11R0.31 CS(=O)(=O)NCCNCC(=O)O 23841932433ad2b7fe3ac86f260e8e70 [0,0,0,0,0,1|3,0,0]=4 629 B11R0.31 CS(=O)(=O)OCCNCC(=O)N 1fa016768e2c5c3e31fa288c3c2f5815 [0,0,0,0,0,1|3,0,0]=4 630 B11R0.31 CS(=O)(=O)OCCNCC(=O)O c5e561ab0d12ef46101920f59c1d51f8 [0,0,0,0,0,1|3,0,0]=4 631 B11R0.31 CS(=O)CCCNCS(=O)(=O)C 734db3d035f5ed9af9c4f79c16fba5a9 [0,0,0,0,0,1|3,0,0]=4 632 B11R0.31 CS(=O)CCCNCS(=O)(=O)O 33dae25a9bebc58d314b2023fedff377 [0,0,0,0,0,1|2,0,0]=3 633 B11R0.31 CS(=O)CCNCCS(=O)(=O)C ab25480891117afa1031e38d00f8336c [0,0,0,0,0,1|3,0,0]=4 634 B11R0.31 CS(=O)CCNCCS(=O)(=O)N f462608c00e883d656671803e8a21d4d [0,0,0,0,0,1|3,0,0]=4 635 B11R0.31 CS(=O)CCNCCS(=O)(=O)O 00fcd0ca46f050f96af8c0b445c553a4 [0,0,0,0,0,1|2,0,0]=3 636 B11R0.31 CS(=O)CCOCCS(=O)(=O)C 3733aaee721a902c09ef8b5446ab729d [0,0,0,0,0,1|3,0,0]=4 637 B11R0.31 CS(=O)CCOCCS(=O)(=O)N 64dbd284db0bb6b4efe5368a0dc43ac8 [0,0,0,0,0,1|3,0,0]=4 638 B11R0.31 CS(=O)CCOCCS(=O)(=O)O e2e79bc9dfe079c535d4668028200cc8 [0,0,0,0,0,1|2,0,0]=3 639 B11R0.31 C[C@@H](F)COCCCS(=O)(=O)O 94bb19c9195a664911daa6f94bc1c22c [0,0,0,0,0,1|2,0,1]=4 640 B11R0.31 C[C@@H](O)CCNCCS(=O)(=O)O ad6966d204302692cbbce24331a3de5d [0,0,0,0,0,1|1,0,2]=4 641 B11R0.31 C[C@@H](O)CNCCCS(=O)(=O)C c052aea51c5a63f4e06a5de127fee98b [0,0,0,0,0,1|1,0,2]=4 642 B11R0.31 C[C@@H](O)CNCCCS(=O)(=O)N b843b0e5bdbddf18179e9c0860628dac [0,0,0,0,0,1|1,0,2]=4 643 B11R0.31 C[C@@H](O)CNCCCS(=O)(=O)O 486fbdc17af63bcefd0bbefd29658ab7 [0,0,0,0,0,1|0,0,2]=3 644 B11R0.31 C[C@@H](O)CNCCOS(=O)(=O)O 7995531d3c416f1475ffda754a70aff5 [0,0,0,0,0,1|1,0,2]=4 645 B11R0.31 C[C@H](F)COCCCS(=O)(=O)O a051dd1db8b9680119c39bd9afa3553d [0,0,0,0,0,1|2,0,1]=4 646 B11R0.31 C[C@H](O)CCNCCS(=O)(=O)O 8e6eeeeb587f3f69b98b9f93e6934683 [0,0,0,0,0,1|1,0,2]=4 647 B11R0.31 C[C@H](O)CNCCCS(=O)(=O)C 1bcd475a98fe41befb88d3038964fcd2 [0,0,0,0,0,1|1,0,2]=4 648 B11R0.31 C[C@H](O)CNCCCS(=O)(=O)N 6ab9a17127cb669919da867429194397 [0,0,0,0,0,1|1,0,2]=4 649 B11R0.31 C[C@H](O)CNCCCS(=O)(=O)O a34c09b00a1e4238dd7691ca57ab6587 [0,0,0,0,0,1|0,0,2]=3 650 B11R0.31 C[C@H](O)CNCCOS(=O)(=O)O 8bcedc0366ddbb2b8376fcc7e9e18c3d [0,0,0,0,0,1|1,0,2]=4 651 B11R0.31 NC(=O)C#CCNCS(=O)(=O)O 848bf9c22661b3d52b199990967578af [0,0,0,0,0,1|2,0,1]=4 652 B11R0.31 NC(=O)CCCNCS(=O)(=O)O 00197cdcbb0f26dfb56e266493eb8bb8 [0,0,0,0,0,1|2,0,0]=3 653 B11R0.31 NC(=O)CCNCCS(=O)(=O)N 5fc0c97e04a6c2c9253f7d963fdeb3d7 [0,0,0,0,0,1|3,0,0]=4 654 B11R0.31 NC(=O)CCNCCS(=O)(=O)O 2593a4b26dc98fa25b27c80407b9085a [0,0,0,0,0,1|2,0,0]=3 655 B11R0.31 NC(=O)CCOCCS(=O)(=O)N 722a53da19cf56f1e944e741b0c970fa [0,0,0,0,0,1|3,0,0]=4 656 B11R0.31 NC(=O)CCOCCS(=O)(=O)O 479047177b65b3ced047f0131e3986a5 [0,0,0,0,0,1|2,0,0]=3 657 B11R0.31 NC(=O)CNCCCS(=O)(=O)N 4867da98e8c021ead42a4b025b6ab47d [0,0,0,0,0,1|2,0,0]=3 658 B11R0.31 NC(=O)CNCCCS(=O)(=O)O 6680fd11539864f4710b11d360002fc6 [0,0,0,0,0,1|1,0,0]=2 659 B11R0.31 NC(=O)CNCCNS(=O)(=O)Cl c31bc833d65bbcc80149d7b9b1f9c26a [0,0,0,0,0,1|3,0,0]=4 660 B11R0.31 NC(=O)CNCCOS(=O)(=O)O d74eaec42314c42f1172e464ec33da28 [0,0,0,0,0,1|2,0,0]=3 661 B11R0.31 NC(=O)COCCCS(=O)(=O)N 13615323a9867f31a7e46a9e51a01703 [0,0,0,0,0,1|3,0,0]=4 662 B11R0.31 NC(=O)COCCCS(=O)(=O)O db96941c55168f87a0176b89328c2cb1 [0,0,0,0,0,1|2,0,0]=3 663 B11R0.31 NC(=O)NCCNCS(=O)(=O)O 44c2e3e238f467300184878c2483b981 [0,0,0,0,0,1|1,0,0]=2 664 B11R0.31 NC(=O)NCOCCS(=O)(=O)O 3f19f33f9d51c09a927695d3788be13b [0,0,0,0,0,1|1,0,0]=2 665 B11R0.31 NC(=O)NCOCOS(=O)(=O)Cl 4382873fb0c487d45a11d6bbedb9d7b9 [0,0,0,0,0,1|3,0,0]=4 666 B11R0.31 NC(=O)SCNCCS(=O)(=O)N 956191a85bca1df2090c0cc0ad3c919c [0,0,0,0,0,1|3,0,0]=4 667 B11R0.31 NC(=O)SCNCCS(=O)(=O)O 1c56f66afde0107cde4b52d6efb17963 [0,0,0,0,0,1|2,0,0]=3 668 B11R0.31 NC(=O)SCOCCS(=O)(=O)O b0da201a4902f2c63e1d50d4d4283888 [0,0,0,0,0,1|2,0,0]=3 669 B11R0.31 NC(=S)CCNCCS(=O)(=O)O 54c00a47a7026fcfe375a4a2683bf341 [0,0,0,0,0,1|2,1,0]=4 670 B11R0.31 NC(=S)COCCCS(=O)(=O)O 8eeb14e55cc0868420b1d541c0253920 [0,0,0,0,0,1|2,1,0]=4 671 B11R0.31 NC(=S)NCCNCS(=O)(=O)N 9e3d3e145a56d9618beefac21fc0c927 [0,0,0,0,0,1|2,1,0]=4 672 B11R0.31 NC(=S)NCCNCS(=O)(=O)O 5606761c91e0f8301fe324514cc37e50 [0,0,0,0,0,1|1,1,0]=3 673 B11R0.31 NS(=O)(=O)CCCNCC(=O)O f1de9a8e98223b94fb7900146ebe682c [0,0,0,0,0,1|2,0,0]=3 674 B11R0.31 NS(=O)(=O)CCCNC[N+](=O)[O-] 1dd837a4f679e71cd2bee42853b668fc [0,0,0,0,0,1|3,0,0]=4 675 B11R0.31 NS(=O)(=O)CCOCCC(=O)O 9d87452f924d60b10d0d521484e9aba6 [0,0,0,0,0,1|3,0,0]=4 676 B11R0.31 O=C(O)/C=C/CNCS(=O)(=O)O f6ff37dd1cfd5fc67db96ffed15c3d93 [0,0,0,0,0,1|2,0,1]=4 677 B11R0.31 O=C(O)/C=C/COCS(=O)(=O)O cfccc3489931c09b090f53db511fc5fe [0,0,0,0,0,1|2,0,1]=4 678 B11R0.31 O=C(O)C#CCNCS(=O)(=O)O be254137048005beed4fb3105381467b [0,0,0,0,0,1|2,0,1]=4 679 B11R0.31 O=C(O)C=CCNCS(=O)(=O)O 3c206ec2f1997eb2efb87c21e7581a2d [0,0,0,0,0,1|2,0,1]=4 680 B11R0.31 O=C(O)C=CCOCS(=O)(=O)O a476137d83c45b01529c983542523bdd [0,0,0,0,0,1|2,0,1]=4 681 B11R0.31 O=C(O)CCNCCS(=O)(=O)O 68c0e01e38bc2e89d44259a2244fd97a [0,0,0,0,0,1|2,0,0]=3 682 B11R0.31 O=C(O)CCOCCS(=O)(=O)O 878d22cb40937cea53db45d1fb0d6942 [0,0,0,0,0,1|2,0,0]=3 683 B11R0.31 O=C(O)CNCCCS(=O)(=O)O 8faa50f637578e272e0ee31acd418825 [0,0,0,0,0,1|1,0,0]=2 684 B11R0.31 O=C(O)CNCCNS(=O)(=O)Cl c351047a00df15f37a17928dbde0f9bb [0,0,0,0,0,1|3,0,0]=4 685 B11R0.31 O=C(O)CNCCOS(=O)(=O)O 4cbfd86af549fedd90f02092652baec3 [0,0,0,0,0,1|2,0,0]=3 686 B11R0.31 O=C(O)COCCCS(=O)(=O)O 22f998ab713bdc44cf02fc7fc49b3928 [0,0,0,0,0,1|2,0,0]=3 687 B11R0.31 O=S(=O)(O)CCCNCC(F)F 134659f8ad90d909c8e61f62d9700441 [0,0,0,0,0,1|2,0,1]=4 688 B11R0.31 O=S(=O)(O)CCNCC=C(Cl)Cl 7d2b21b573e16cdf9509a28f350ee23e [0,0,0,0,0,1|3,0,0]=4 689 B11R0.31 O=S(=O)(O)CCOCC=C(Cl)Cl f9cbd849187f92730580ea57f162ef08 [0,0,0,0,0,1|3,0,0]=4 690 B11R0.31 O=S(=O)(O)CNCCC=C(F)F 308b6c8823a2abf1875ab826de447c40 [0,0,0,0,0,1|3,0,0]=4 691 B11R0.31 O=S(O)CCNCCS(=O)(=O)O 8f54d436eda0fb679543ea1fbe070972 [0,0,0,0,0,1|3,0,0]=4 692 B11R0.31 O=S(O)COCCCS(=O)(=O)O 4a4f952729ece26c8da3e4e909332978 [0,0,0,0,0,1|3,0,0]=4 693 B11R0.31 O=[N+]([O-])CCCNCS(=O)(=O)O e23ad59f9add98143b7f7da97c4819fa [0,0,0,0,0,1|3,0,0]=4 694 B11R0.31 O=[N+]([O-])CCOCCS(=O)(=O)O 777c1594109f9a4c7b878d23fba973b8 [0,0,0,0,0,1|3,0,0]=4 695 B11R0.31 O=[N+]([O-])CNCCCS(=O)(=O)O af70f7ffe78e1b30ea7c7a9b0dc45c9a [0,0,0,0,0,1|2,0,0]=3 696 B11R0.31 O=[N+]([O-])CNCCOS(=O)(=O)O 5e8fe59d17c91c6a1ed74da5a9a791e0 [0,0,0,0,0,1|3,0,0]=4 697 B11R0.31 O=[N+]([O-])COCCCS(=O)(=O)O ba4f61d6294e47118d3f3da08afe267c [0,0,0,0,0,1|3,0,0]=4 698 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [2,0,0,0,0,0|2,0,0]=4 699 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [2,0,0,0,0,0|2,0,0]=4 700 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [2,0,0,0,0,0|2,0,0]=4 701 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [2,0,0,0,0,0|2,0,0]=4 702 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [2,0,0,0,0,0|1,0,0]=3 703 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [2,0,0,0,0,0|1,1,0]=4 704 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [2,0,0,0,0,0|2,0,0]=4 705 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [2,0,0,0,0,0|2,0,0]=4 706 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [2,0,0,0,0,0|2,0,0]=4 707 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [2,0,0,0,0,0|2,0,0]=4 708 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [2,0,0,0,0,0|1,0,1]=4 709 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [2,0,0,0,0,0|1,1,0]=4 710 B8R0.7 CS(=O)CCCNC=O ac978e4dec6c59820deb2d60499ba3b0 [2,0,0,0,0,0|1,0,1]=4 711 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [2,0,0,0,0,0|1,0,1]=4 712 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [2,0,0,0,0,0|2,0,0]=4 713 B8R0.21 C=CCNCS(=O)(=O)O 1d80bdec893a883ebe46275c67e5a7a8 [2,0,0,0,0,0|1,0,1]=4 714 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [2,0,0,0,0,0|1,0,1]=4 715 B8R0.21 CCNCCS(=O)(=O)C e43bf84c2c33da0607bb89ff5a969bd7 [2,0,0,0,0,0|1,0,1]=4 716 B8R0.21 CCNCCS(=O)(=O)N ef6272ee141bac41a66a95e64fdf318c [2,0,0,0,0,0|1,0,1]=4 717 B8R0.21 CCNCCS(=O)(=O)O 2a00cc1ab8033a535223ac3984606ce9 [2,0,0,0,0,0|0,0,1]=3 718 B8R0.21 CCOCCS(=O)(=O)O 2698595bcb393ca998eedd4abca0a0be [2,0,0,0,0,0|1,0,1]=4 719 B8R0.21 COCNCS(=O)(=O)O 600274e93e85848d32ae4fe058f055b1 [2,0,0,0,0,0|2,0,0]=4 720 B8R0.21 CS(=O)(=O)CCNC=O 76c43e69d929bcf166b68b79b93ac3fc [2,0,0,0,0,0|1,0,0]=3 721 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [2,0,0,0,0,0|2,0,0]=4 722 B8R0.21 N#CNCCS(=O)(=O)O 003dd16a47fdd3c68c5cd4d47c99324c [2,0,0,0,0,0|1,0,1]=4 723 B8R0.21 O=CCNCS(=O)(=O)O fb8d9f7b839ab438d0ca8979a5767777 [2,0,0,0,0,0|1,0,0]=3 724 B8R0.21 O=CNCCS(=O)(=O)O 3c18751d53f5974ecf1981718f9204ff [2,0,0,0,0,0|0,0,0]=2 725 B8R0.21 O=S(=O)(O)CCNCF 64721f07afe8803d68db9f095e41b240 [2,0,0,0,0,0|1,0,1]=4 726 B8R0.21 O=S(=O)(O)CCNCO 2bf5c62c4ea2b6b7b699878157d83fbc [2,0,0,0,0,0|0,0,2]=4 727 B10R0.5 CN(CCNC=O)S(=O)(=O)C 409e03f4d24e7775175e7f6005f4340b [1,1,0,0,0,0|2,0,0]=4 728 B10R0.22 C#CCNCCCS(=O)(=O)O 884627d93ad89ca470ab193efd8796b0 [1,1,0,0,0,0|0,0,2]=4 729 B10R0.22 C/C=C/CCOCS(=O)(=O)C 9f019dd5c24de0fd4bc9ca697a7e9780 [1,1,0,0,0,0|2,0,0]=4 730 B10R0.22 C/C=C/CCOCS(=O)(=O)N feb171bd8f779b75afe4ee33ef75f44b [1,1,0,0,0,0|2,0,0]=4 731 B10R0.22 C/C=C/CCOCS(=O)(=O)O e26847ecb99dd69c567b3052473c1205 [1,1,0,0,0,0|1,0,0]=3 732 B10R0.22 C/C=C/CNCCS(=O)(=O)C 76a43f0d3b73a9fe98bcfdbda85d844b [1,1,0,0,0,0|2,0,0]=4 733 B10R0.22 C/C=C/CNCCS(=O)(=O)N 85876bf69f968815a489429718d4a050 [1,1,0,0,0,0|2,0,0]=4 734 B10R0.22 C/C=C/CNCCS(=O)(=O)O c8e285e9b80519ac0bdf7c1f26e0fbc7 [1,1,0,0,0,0|1,0,0]=3 735 B10R0.22 C/C=C/COCCS(=O)(=O)C 30708b06637cdf2e682b8ade37c458f3 [1,1,0,0,0,0|2,0,0]=4 736 B10R0.22 C/C=C/COCCS(=O)(=O)N a92791605120d7d400ba8a31ee879951 [1,1,0,0,0,0|2,0,0]=4 737 B10R0.22 C/C=C/COCCS(=O)(=O)O f817fd032f1e31f386b3d47f405d0a8d [1,1,0,0,0,0|1,0,0]=3 738 B10R0.22 C/C=C\CNCCS(=O)(=O)C f861ac5e7f4441f7c3c61e354b9f6c4a [1,1,0,0,0,0|2,0,0]=4 739 B10R0.22 C/C=C\CNCCS(=O)(=O)N 0be0776886783d2c100e5ccd7061bb57 [1,1,0,0,0,0|2,0,0]=4 740 B10R0.22 C/C=C\CNCCS(=O)(=O)O 2713835d67cc34d194764813a8df816f [1,1,0,0,0,0|1,0,0]=3 741 B10R0.22 C/C=C\COCCS(=O)(=O)C 41c84464ae0010c6b9cb74530b2a496a [1,1,0,0,0,0|2,0,0]=4 742 B10R0.22 C/C=C\COCCS(=O)(=O)N f81555d24ec0d872cd246080106e5fe1 [1,1,0,0,0,0|2,0,0]=4 743 B10R0.22 C/C=C\COCCS(=O)(=O)O e32d8f4b1f8b45016580c9f00c563612 [1,1,0,0,0,0|1,0,0]=3 744 B10R0.22 C=CCCCNCS(=O)(=O)O f7aaa25bc100c07a6c50155b6dc6e9a9 [1,1,0,0,0,0|1,0,1]=4 745 B10R0.22 C=CCCCOCS(=O)(=O)O 0bd98fedf6646786c341e685aa3c0770 [1,1,0,0,0,0|1,0,1]=4 746 B10R0.22 C=CCCNCCS(=O)(=O)O dcd6454c9d0f2b474dec412bc156a213 [1,1,0,0,0,0|1,0,1]=4 747 B10R0.22 C=CCCOCCS(=O)(=O)O 99dfdbbc35a12baeff3b44a5fc8a5bb8 [1,1,0,0,0,0|1,0,1]=4 748 B10R0.22 C=CCNCCCS(=O)(=O)C 61c8e6e8219031c99729cc912bf5c18b [1,1,0,0,0,0|1,0,1]=4 749 B10R0.22 C=CCNCCCS(=O)(=O)N 4d6d178d35216acbc48a362fcc1dcadd [1,1,0,0,0,0|1,0,1]=4 750 B10R0.22 C=CCNCCCS(=O)(=O)O d16acf7a55b87d92cc667cb25476bd24 [1,1,0,0,0,0|0,0,1]=3 751 B10R0.22 C=CCNCCOS(=O)(=O)O feb14af9d274ff75ea86e4aff5b03c4e [1,1,0,0,0,0|1,0,1]=4 752 B10R0.22 C=CCOCCCS(=O)(=O)O ee23a3b52fddfc4cc223384f6e12316f [1,1,0,0,0,0|1,0,1]=4 753 B10R0.22 C=COCCNCS(=O)(=O)O f399c346dc9b8eaf594980381fb0adbb [1,1,0,0,0,0|1,0,1]=4 754 B10R0.22 C=COCCOCS(=O)(=O)O c15d19bab4d43ac35e4dbeb3847139c6 [1,1,0,0,0,0|1,0,1]=4 755 B10R0.22 CC#CCCOCS(=O)(=O)O de6764ce1a5a4edecd4ff591f5388685 [1,1,0,0,0,0|1,0,1]=4 756 B10R0.22 CC#CCNCCS(=O)(=O)O 4e06ed9c3fb001538011713c49bda24e [1,1,0,0,0,0|1,0,1]=4 757 B10R0.22 CC#CCOCCS(=O)(=O)O df4e23d848331f788c9036d22e7d3f23 [1,1,0,0,0,0|1,0,1]=4 758 B10R0.22 CC/C=C/CNCS(=O)(=O)O 83c256efb2b50a4d417a79caf71362f4 [1,1,0,0,0,0|2,0,0]=4 759 B10R0.22 CC/C=C/COCS(=O)(=O)O b10735b48544c06232077b2ce60c255d [1,1,0,0,0,0|2,0,0]=4 760 B10R0.22 CC/C=C\COCS(=O)(=O)O 817463dc5a9920971939404ef6e0d76a [1,1,0,0,0,0|2,0,0]=4 761 B10R0.22 CC=CCNCCS(=O)(=O)C 6f906ad22757ce8429e939971ba5b6bc [1,1,0,0,0,0|2,0,0]=4 762 B10R0.22 CC=CCNCCS(=O)(=O)O 1bc556386b69f9f2493449f40d95ee70 [1,1,0,0,0,0|1,0,0]=3 763 B10R0.22 CC=CCOCCS(=O)(=O)C a9e46fb19005b6038779b40857b080da [1,1,0,0,0,0|2,0,0]=4 764 B10R0.22 CC=CCOCCS(=O)(=O)O 63268f3eb330e986419f6c2c0e4978d8 [1,1,0,0,0,0|1,0,0]=3 765 B10R0.22 CCCCCNCS(=O)(=O)O c21120f6eb43d826bbb53ef10a2854ff [1,1,0,0,0,0|1,0,1]=4 766 B10R0.22 CCCCNCCS(=O)(=O)O 03e92a563b8f96b8167e6bb695222e66 [1,1,0,0,0,0|1,0,1]=4 767 B10R0.22 CCCCOCCS(=O)(=O)O bb963e223108a9df583b4d995a37e21a [1,1,0,0,0,0|1,0,1]=4 768 B10R0.22 CCCNCCCS(=O)(=O)C 3407de644a39157ad4d93d54631ee100 [1,1,0,0,0,0|1,0,1]=4 769 B10R0.22 CCCNCCCS(=O)(=O)N bd9bf261adb8163103575aef2e33007e [1,1,0,0,0,0|1,0,1]=4 770 B10R0.22 CCCNCCCS(=O)(=O)O 24acc1a1a42d884d292692e7b07d99c3 [1,1,0,0,0,0|0,0,1]=3 771 B10R0.22 CCCNCCOS(=O)(=O)O 8b1a6269afcb5dbe0d9d7df96d5a60ff [1,1,0,0,0,0|1,0,1]=4 772 B10R0.22 CCCOCCCS(=O)(=O)O 095be99f10f30a88ffecce12bbf5edb4 [1,1,0,0,0,0|1,0,1]=4 773 B10R0.22 CCNCCCNS(=O)(=O)C efbff447aaaf72674c957df522d2b174 [1,1,0,0,0,0|1,0,1]=4 774 B10R0.22 CCOCCCCS(=O)(=O)O d081480578c7921f135f6c14ee1e1e74 [1,1,0,0,0,0|1,0,1]=4 775 B10R0.22 CCOCCCNS(=O)(=O)O d928f37010faa909f545db992d7c7263 [1,1,0,0,0,0|1,0,1]=4 776 B10R0.22 CCOCCNCS(=O)(=O)O 3386ff3099f753e43d698bf5b3bb6e29 [1,1,0,0,0,0|1,0,1]=4 777 B10R0.22 CCOCNCCS(=O)(=O)O 5190dafeaca770823c26f27aaa80e8a2 [1,1,0,0,0,0|1,0,1]=4 778 B10R0.22 CCOCOCCS(=O)(=O)O 49e0fde5f666563acbf883887b2fa89a [1,1,0,0,0,0|1,0,1]=4 779 B10R0.22 CCSCCNCS(=O)(=O)O 97a43c7a7e798cf9728a6f41d1becbab [1,1,0,0,0,0|1,0,1]=4 780 B10R0.22 COCCCNCS(=O)(=O)O 81d4d4fcc2a4098486294c8e60193d08 [1,1,0,0,0,0|2,0,0]=4 781 B10R0.22 COCCCOCS(=O)(=O)O 329168af34cde097a0fd34bf1607f465 [1,1,0,0,0,0|2,0,0]=4 782 B10R0.22 COCCNCCS(=O)(=O)O 403e3490d0c9627d7eecdd9ba84fcd06 [1,1,0,0,0,0|2,0,0]=4 783 B10R0.22 COCCOCCS(=O)(=O)O 9458fad41cf1deb0b94d8d14f3460988 [1,1,0,0,0,0|2,0,0]=4 784 B10R0.22 COCNCCCS(=O)(=O)C c936e567123bd582b29caa0c539ea460 [1,1,0,0,0,0|1,0,1]=4 785 B10R0.22 COCNCCCS(=O)(=O)N d9646a2df5a29f8f998365c04a6abf3c [1,1,0,0,0,0|1,0,1]=4 786 B10R0.22 COCNCCCS(=O)(=O)O a64f1c7edbb09ecd5961db82a9c79bd2 [1,1,0,0,0,0|0,0,1]=3 787 B10R0.22 COCNCCOS(=O)(=O)O 61f32cdd662ac59d5d972ccc6f5188fa [1,1,0,0,0,0|1,0,1]=4 788 B10R0.22 COCOCCCS(=O)(=O)O 79f4bffd875667b98ea5d02a74d1ef4d [1,1,0,0,0,0|1,0,1]=4 789 B10R0.22 CS(=O)(=O)CCCCNC=O 7b6c1e9c0418c60951d6ef4bbe4ea108 [1,1,0,0,0,0|1,0,0]=3 790 B10R0.22 CS(=O)(=O)CCCNCC=O f5ea3e1b95ae681cb894778f06a355db [1,1,0,0,0,0|1,0,0]=3 791 B10R0.22 CS(=O)(=O)CCCNCCBr 4775c154845deec2cdae23744fd84436 [1,1,0,0,0,0|1,0,1]=4 792 B10R0.22 CS(=O)(=O)CCCNCCF 080d0b41462639af9e0c461fdeda35df [1,1,0,0,0,0|1,0,1]=4 793 B10R0.22 CS(=O)(=O)CCCNCCI fb760a4324caaa168c7738332e1b356b [1,1,0,0,0,0|1,0,1]=4 794 B10R0.22 CS(=O)(=O)CCCNCCO 64d330e472315e7a7458d2f1f92a6511 [1,1,0,0,0,0|1,0,1]=4 795 B10R0.22 CS(=O)(=O)CCCNCCS ed52cfa90df9c5465443effe06859e77 [1,1,0,0,0,0|1,0,1]=4 796 B10R0.22 CS(=O)(=O)CCCOCC=O fbd573541f5c726e41d2bb596236e30c [1,1,0,0,0,0|2,0,0]=4 797 B10R0.22 CS(=O)(=O)CCNCCC=O d53bc87cf464fe1526b5ca38bdfed859 [1,1,0,0,0,0|2,0,0]=4 798 B10R0.22 CS(=O)(=O)CCOCCC=O 27f993be060795bdfaec9d1b04b3da28 [1,1,0,0,0,0|2,0,0]=4 799 B10R0.22 CS(=O)(=O)COCCCC=O a14ba66d4807df3819708e5cf8549c21 [1,1,0,0,0,0|2,0,0]=4 800 B10R0.22 CS(=O)(=O)COCCNC=O 013bceeb1a4aa30b885c4ebbe82642ec [1,1,0,0,0,0|1,0,0]=3 801 B10R0.22 CS(=O)(=O)COCCOC=O dc31865874f9b75859481760aecb3ea8 [1,1,0,0,0,0|2,0,0]=4 802 B10R0.22 CS(=O)(=O)NCCCNC=O eaa0146a78838136735925c101c1b8e1 [1,1,0,0,0,0|1,0,0]=3 803 B10R0.22 CS(=O)(=O)NCCNCC=O 38a14ad9ec1cadc768622c60e7f83906 [1,1,0,0,0,0|2,0,0]=4 804 B10R0.22 CSCCCNCS(=O)(=O)O 8d26828fe8c5a5762538fc911c714071 [1,1,0,0,0,0|2,0,0]=4 805 B10R0.22 CSCCCOCS(=O)(=O)O d31b41b392fee65a786a188094389ead [1,1,0,0,0,0|2,0,0]=4 806 B10R0.22 CSCCNCCS(=O)(=O)O beb933931caf67e4a7e6d9796d2ab4ed [1,1,0,0,0,0|2,0,0]=4 807 B10R0.22 CSCCOCCS(=O)(=O)O 4e82dc572c431d23c695ce593c7f276a [1,1,0,0,0,0|2,0,0]=4 808 B10R0.22 CSCNCCCS(=O)(=O)C 555576e12080eadabe7a6881cce36dfe [1,1,0,0,0,0|1,0,1]=4 809 B10R0.22 CSCNCCCS(=O)(=O)N 7d1c60a033d0d388cd55ce05b90939a7 [1,1,0,0,0,0|1,0,1]=4 810 B10R0.22 CSCNCCCS(=O)(=O)O 9f0b1d1dbd0ce1a8bec0eea7c6364413 [1,1,0,0,0,0|0,0,1]=3 811 B10R0.22 CSCNCCOS(=O)(=O)O dcd0bad605e7578cee492a070a2345cb [1,1,0,0,0,0|1,0,1]=4 812 B10R0.22 CSCOCCCS(=O)(=O)O 9389be3a4343a6bc40c1eeae06fc920c [1,1,0,0,0,0|1,0,1]=4 813 B10R0.22 N#CCNCCCS(=O)(=O)O 2c170613c8ff1ccd81e9f10c27164521 [1,1,0,0,0,0|0,0,2]=4 814 B10R0.22 N#CNCCCCS(=O)(=O)O 145485f14bf23eb29f823a0b294a9837 [1,1,0,0,0,0|1,0,1]=4 815 B10R0.22 NS(=O)(=O)CCCNCC=O e253c9005f0ea24658f04b145fb9cdc5 [1,1,0,0,0,0|1,0,0]=3 816 B10R0.22 NS(=O)(=O)CCCNCCBr 9fadbc2368dab20ac5f1f4d56cf43a53 [1,1,0,0,0,0|1,0,1]=4 817 B10R0.22 NS(=O)(=O)CCCNCCF 8b338159a3fa872ccdb9176077b4afe3 [1,1,0,0,0,0|1,0,1]=4 818 B10R0.22 NS(=O)(=O)CCCNCCI d30b4d9288604d6ff3a22b6214bffebb [1,1,0,0,0,0|1,0,1]=4 819 B10R0.22 NS(=O)(=O)CCCNCCO 887bab7c7fc8a73ca6582ab5cbbdb4e2 [1,1,0,0,0,0|1,0,1]=4 820 B10R0.22 NS(=O)(=O)CCCNCCS 75da0c0c25179b43d5dd3c1391b5295c [1,1,0,0,0,0|1,0,1]=4 821 B10R0.22 NS(=O)(=O)CCCOCC=O 6a0471cab053c15beffc6dafd0c8456f [1,1,0,0,0,0|2,0,0]=4 822 B10R0.22 NS(=O)(=O)CCNCCC=O 267a365b40caf995f9b497d02c1798fc [1,1,0,0,0,0|2,0,0]=4 823 B10R0.22 NS(=O)(=O)CCOCCC=O 8dcb638874381bff5b2f2786bc0545af [1,1,0,0,0,0|2,0,0]=4 824 B10R0.22 NS(=O)(=O)COCCCC=O ed75dc15d1fdeb0b69f7f9dcf81beca4 [1,1,0,0,0,0|2,0,0]=4 825 B10R0.22 NS(=O)(=O)COCCOC=O aa50d5d869dfddccc6dff2207aaa6cd2 [1,1,0,0,0,0|2,0,0]=4 826 B10R0.22 O=C/C=C/COCS(=O)(=O)O 84a37aeabf54f7f95a172aa152f892fd [1,1,0,0,0,0|1,0,1]=4 827 B10R0.22 O=CCCCNCS(=O)(=O)O edfe79b909434efeb5abf445f2fa8559 [1,1,0,0,0,0|1,0,0]=3 828 B10R0.22 O=CCCCOCS(=O)(=O)O 224683f090fa213c945259567d8e9934 [1,1,0,0,0,0|1,0,0]=3 829 B10R0.22 O=CCCNCCS(=O)(=O)O 756ed5735602a3546110833a3aa0f642 [1,1,0,0,0,0|1,0,0]=3 830 B10R0.22 O=CCCOCCS(=O)(=O)O 09eee0bb9239ba235c6830b7f584d2b5 [1,1,0,0,0,0|1,0,0]=3 831 B10R0.22 O=CCNCCCS(=O)(=O)O 8405004c0e8bc8fe16047f5f1c5e86a0 [1,1,0,0,0,0|0,0,0]=2 832 B10R0.22 O=CCNCCOS(=O)(=O)O b2a66605d72b43fc2ee3a7c220569d24 [1,1,0,0,0,0|1,0,0]=3 833 B10R0.22 O=CCOCCCS(=O)(=O)O 76e13a24304a5ac5621933bc3bdc5223 [1,1,0,0,0,0|1,0,0]=3 834 B10R0.22 O=CNCCOCS(=O)(=O)O 660bc06344964884da2f235260245dfe [1,1,0,0,0,0|0,0,0]=2 835 B10R0.22 O=COCCOCS(=O)(=O)O 064ec0dca47d356bcc2cbc4ccd4a6b84 [1,1,0,0,0,0|1,0,0]=3 836 B10R0.22 O=S(=O)(O)CCCCOCF fa0f1dedcfaa79d96f1cc183c379e294 [1,1,0,0,0,0|2,0,0]=4 837 B10R0.22 O=S(=O)(O)CCCNCCBr 0c87d5cc9b1ae41a1e4d018a3ece62d7 [1,1,0,0,0,0|0,0,1]=3 838 B10R0.22 O=S(=O)(O)CCCNCCF 2acbdf4b3159aa91941c92ef26897686 [1,1,0,0,0,0|0,0,1]=3 839 B10R0.22 O=S(=O)(O)CCCNCCI 9ef059d342919b03efa9aeb1d05fe129 [1,1,0,0,0,0|0,0,1]=3 840 B10R0.22 O=S(=O)(O)CCCNCCO 6e64ff7979be9d29d0dd6135aa56ea6d [1,1,0,0,0,0|0,0,1]=3 841 B10R0.22 O=S(=O)(O)CCCNCCS ab4401b52fc505d0000acaae5bf31149 [1,1,0,0,0,0|0,0,1]=3 842 B10R0.22 O=S(=O)(O)CCCOCCF 0b51e1762a3ce9256d132484ec7e2ecb [1,1,0,0,0,0|1,0,1]=4 843 B10R0.22 O=S(=O)(O)CCCOCCS 6e5536b2f0cd2927511442ba32dee784 [1,1,0,0,0,0|1,0,1]=4 844 B10R0.22 O=S(=O)(O)CCNC/C=C/Cl 700baca5f3c9b0450ec6bac56f054e0f [1,1,0,0,0,0|2,0,0]=4 845 B10R0.22 O=S(=O)(O)CCNC/C=C\Cl e183687cd80685e4d1f861cc75976f3c [1,1,0,0,0,0|2,0,0]=4 846 B10R0.22 O=S(=O)(O)CCNC/C=C\O 2aa21f9e15d4876d9aa9d14ad7243792 [1,1,0,0,0,0|1,0,1]=4 847 B10R0.22 O=S(=O)(O)CCOC/C=C/Cl bc2a7f5fa3507c706325b55227d9b2f1 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.22 O=S(=O)(O)CCOC/C=C\Cl eda575b18af96f002397471baf49728a [1,1,0,0,0,0|2,0,0]=4 849 B10R0.22 O=S(=O)(O)CCOCC=CCl d9e05043813fe27b52e3cc6a81c725db [1,1,0,0,0,0|2,0,0]=4 850 B10R0.22 O=S(=O)(O)OCCNCCF 0f81360b2ef064ff6c6eefc387022bb8 [1,1,0,0,0,0|1,0,1]=4 851 B10R0.22 O=S(=O)(O)OCCNCCO 7c1726cc873dfbe9260e3eb2389a9568 [1,1,0,0,0,0|1,0,1]=4 852 B10R0.22 O=S(=O)(O)OCCNCCS 1e1baa560d59e734474421cb11ca04fe [1,1,0,0,0,0|1,0,1]=4 853 B10R0.60 C=C(C=O)OCCS(=O)(=O)O ade06d9fa5a23f2b7e3e63fcdc0b8a12 [1,1,0,0,0,0|2,0,0]=4 854 B10R0.60 CC(C=O)NCCS(=O)(=O)O 08b3759a2a31b334003d925bb6d4b173 [1,1,0,0,0,0|2,0,0]=4 855 B10R0.60 CC(C=O)OCCS(=O)(=O)O 8656609c317d5385ceda89fe33fbdba5 [1,1,0,0,0,0|2,0,0]=4 856 B10R0.60 CCN(C)CCCS(=O)(=O)C af793b5d85f837c03911ed98262f1ce8 [1,1,0,0,0,0|1,0,1]=4 857 B10R0.60 CCN(C)CCCS(=O)(=O)O 5d7a4439596d13fd8c12d63043a249cc [1,1,0,0,0,0|0,0,1]=3 858 B10R0.60 C[C@H](C=O)NCCS(=O)(=O)O f38aef283a45215f513b61572bf70b5e [1,1,0,0,0,0|2,0,0]=4 859 B10R0.60 C[C@H](C=O)OCCS(=O)(=O)O 38605b3bfd4a9a24e7d27d6b122542cf [1,1,0,0,0,0|2,0,0]=4 860 B10R0.60 O=CC(=O)NCCS(=O)(=O)O e79b75ea221a67eb560aadbe8ab88988 [1,1,0,0,0,0|2,0,0]=4 861 B10R0.62 COS(=O)(=O)CCOCC=O e67b7f8752a471f0d9f61649c110d93e [1,1,0,0,0,0|2,0,0]=4 862 B10R0.109 CN(CC=O)CCS(=O)(=O)O af07f0c0bdcf56758f1849af3f7c4c97 [1,1,0,0,0,0|2,0,0]=4 863 B10R0.55 CC(=O)NCCCC(C)CO a0106834f1a67984389e9d8a0e2490c2 [1,1,0,0,0,0|2,0,0]=4 864 B10R0.55 CC(=O)NCCNC(=O)C=O 38b638ec0a3e8cb2f6dece79e8ac19e7 [1,1,0,0,0,0|2,0,0]=4 865 B10R0.55 CC(=O)NCCNC(=O)CO 786ab8ee5aa8806a6c3ab552fde0c237 [1,1,0,0,0,0|2,0,0]=4 866 B10R0.55 CC(C=O)NCCCC(=O)O 550f679a871f09ec8d9b314af632f9a0 [1,1,0,0,0,0|1,0,1]=4 867 B10R0.55 CCC(=O)NCCCC(=O)N 5cd48f928ba847178ea9114a7375a348 [1,1,0,0,0,0|2,0,0]=4 868 B10R0.55 CCC(=O)NCCCS(=O)C cfb2062c1dac8d71e374ab4797104a1a [1,1,0,0,0,0|1,0,1]=4 869 B10R0.55 COC(=O)CCCNC(=O)C 9740e57eb6aca13d6fa5f2d8f472e64a [1,1,0,0,0,0|1,0,0]=3 870 B10R0.55 COC(=O)COCNC(=O)C b2575b1272053534bc65eadf0edf0097 [1,1,0,0,0,0|2,0,0]=4 871 B10R0.55 CS(=O)CCCNC(=O)CF bdd6c33bfadfcca0c47fd94bbc1a6564 [1,1,0,0,0,0|1,0,1]=4 872 B10R0.55 CS(=O)CCCNC(=O)CO ea2c1aedb52f1c55b7b2d3d34fc64eae [1,1,0,0,0,0|1,0,1]=4 873 B10R0.55 CS(=O)CCCNC(=O)CS 0aa70bac43ebeae0df910effc61c3b63 [1,1,0,0,0,0|1,0,1]=4 874 B10R0.55 C[C@H](C=O)NCCCC(=O)O 2d23f56addaa20c65e70451460a0caab [1,1,0,0,0,0|1,0,1]=4 875 B10R0.55 NC(=O)CCCNC(=O)CF 8dfde92cd8fde1fa1dc4f77e0537f287 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.55 NC(=O)CCCNC(=O)CO edcb2b33f7be620a2d762ddef6962e00 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.55 NC(=O)CCCNC(=O)CS 7844428382a7e48feec08486e64896d0 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.98 CC(=O)N(C)CCCC(=O)N 7edb08b3cb14981653a74d44205398a9 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.31 CN(CC(=O)N)CS(=O)(=O)O f90761919f4b3592147e70ea1e5ee995 [0,1,0,0,1,0|2,0,0]=4 880 B10R0.31 CN(CC(=O)O)CS(=O)(=O)O 71bd2d516e3c7c41e616fc3fd8dd91bb [0,1,0,0,1,0|2,0,0]=4 881 B10R0.65 CCS(=O)(=O)CCNC(=O)C c34268cc65deaf9ba655b41ed294dc9b [0,1,0,0,1,0|1,0,0]=3 882 B10R0.65 CCS(=O)(=O)CNCC(=O)C 34718e2ba4e7bf0285ac9120213905d4 [0,1,0,0,1,0|2,0,0]=4 883 B10R0.65 CNS(=O)(=O)CNCC(=O)C 7e331d3d23936a8d3cdc94ccb44a8d85 [0,1,0,0,1,0|2,0,0]=4 884 B10R0.65 CNS(=O)(=O)COCC(=O)C 80214850625778226cd9ad9ef698f4b0 [0,1,0,0,1,0|2,0,0]=4 885 B10R0.92 CC(=O)C(=O)NCS(=O)(=O)O 44f8396e2383f3cece1b353d556010ac [0,1,0,0,1,0|1,0,1]=4 886 B10R0.92 CC(=O)C(C)NCS(=O)(=O)O 5fd0d39ceaa88aeddd7152229dbe131c [0,1,0,0,1,0|1,0,0]=3 887 B10R0.92 CC(=O)C(C)OCS(=O)(=O)C 329d8138c55fb3c21b2526f32edf283c [0,1,0,0,1,0|2,0,0]=4 888 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 7459062e1ea304ce1f78c38f8cd14d71 [0,1,0,0,1,0|1,0,0]=3 889 B10R0.92 CC(=O)N(C)CCS(=O)(=O)N 98b2b3ec300b3931814a82f85b3692e8 [0,1,0,0,1,0|1,0,0]=3 890 B10R0.92 CC(=O)N(C)CCS(=O)(=O)O 29fad87339502b55653845719489e86b [0,1,0,0,1,0|0,0,0]=2 891 B10R0.92 CC(C)N(C)CCS(=O)(=O)O 47b7c1ee40ba63025264f539b0869853 [0,1,0,0,1,0|1,0,1]=4 892 B10R0.92 CC(NCS(=O)(=O)O)C(=O)N e986ed1479c69b0790155da70484b263 [0,1,0,0,1,0|2,0,0]=4 893 B10R0.92 CC(NCS(=O)(=O)O)C(=O)O 6345b176261f246a98492b4a9125dcda [0,1,0,0,1,0|2,0,0]=4 894 B10R0.92 C[C@@H](NCS(=O)(=O)O)C(=O)N 8206c30ebb869296af39f01c788276f3 [0,1,0,0,1,0|2,0,0]=4 895 B10R0.92 C[C@@H](NCS(=O)(=O)O)C(=O)O 2d6d1b64fdd59ce4039547588ea6a6de [0,1,0,0,1,0|2,0,0]=4 896 B10R0.92 C[C@H](NCS(=O)(=O)O)C(=O)N c2bca8cb4afd18ad4a8b44df3976cbcb [0,1,0,0,1,0|2,0,0]=4 897 B10R0.92 C[C@H](NCS(=O)(=O)O)C(=O)O c9fc5217acd4dbdc7c48dbcd9b72e573 [0,1,0,0,1,0|2,0,0]=4 898 B10R0.92 NC(=O)C(F)NCS(=O)(=O)O d74a1f7b59e22a6abdd30872963a46fd [0,1,0,0,1,0|2,0,0]=4 899 B10R0.92 O=C(O)C(F)NCS(=O)(=O)O bc20d68c7549d8f9ea7c535a8b2dea34 [0,1,0,0,1,0|2,0,0]=4 900 B10R0.92 O=C(O)C(O)NCS(=O)(=O)O 76c9d146b2409869918eea9678b22712 [0,1,0,0,1,0|2,0,0]=4 901 B10R0.92 O=C(O)[C@H](F)NCS(=O)(=O)O 93a6115c6abd10adc828733f13ae472e [0,1,0,0,1,0|2,0,0]=4 902 B10R0.113 CC(C)(C)NCCS(=O)(=O)O 5d84e700f5279fd1cb109e5eac92392d [0,1,0,0,1,0|1,0,1]=4 903 B10R0.113 CS(=O)(=O)CNCS(=O)(=O)O d8ff281bf370773dedd53252f76b9953 [0,1,0,0,1,0|2,0,0]=4 904 B12R0.66 CC(=O)CC(=O)NCCS(=O)(=O)O 222ef8278c1c773858c79e3a4e40cdaa [0,1,0,0,0,1|1,0,1]=4 905 B12R0.66 CC(=O)NC(=O)CNCS(=O)(=O)O 3cdb8ccad80863c2efa93552fc9610b8 [0,1,0,0,0,1|0,0,1]=3 906 B12R0.66 CC(=O)NC(C)COCS(=O)(=O)C e0cf627087e339577af601087c782783 [0,1,0,0,0,1|1,0,0]=3 907 B12R0.66 CC(=O)N[C@H](C)COCS(=O)(=O)C 718b288b8ed0971c556d471473f0ba8a [0,1,0,0,0,1|1,0,0]=3 908 B12R0.66 CC(=O)OC(C)NCCS(=O)(=O)C eaa6a208d348ada5c5a623bf1b77e145 [0,1,0,0,0,1|2,0,0]=4 909 B12R0.66 CC(=O)OC(C)NCCS(=O)(=O)N faafe41746f56b277e919d86bb2881f8 [0,1,0,0,0,1|2,0,0]=4 910 B12R0.66 CC(=O)OC(C)NCCS(=O)(=O)O d0cd11c2da8a65e63f50e61c5ff33236 [0,1,0,0,0,1|1,0,0]=3 911 B12R0.66 CC(=O)OC(C)OCCS(=O)(=O)C 7db7d13b79346b27b93cbd0a05d389f0 [0,1,0,0,0,1|2,0,0]=4 912 B12R0.66 CC(=O)OC(C)OCCS(=O)(=O)N 7c321e6d173751189f27ecea1a851430 [0,1,0,0,0,1|2,0,0]=4 913 B12R0.66 CC(=O)OC(C)OCCS(=O)(=O)O 83963c3364beade192b3bf45fe3669bc [0,1,0,0,0,1|1,0,0]=3 914 B12R0.66 CC(C)CN(C)CCCS(=O)(=O)O 021ae6fcf8f1cca6b20b79bf8f9441ed [0,1,0,0,0,1|1,0,1]=4 915 B12R0.66 CC(CC(=O)N)OCCS(=O)(=O)O fac7d7571293968cd0d454a50f7bda0a [0,1,0,0,0,1|2,0,0]=4 916 B12R0.66 CC(CC(=O)O)NCCS(=O)(=O)O d07ef333728610c94dd55301d6176b68 [0,1,0,0,0,1|2,0,0]=4 917 B12R0.66 CC(CC(=O)O)OCCS(=O)(=O)O 95c67349c647cdeabe52d64fd397aaf5 [0,1,0,0,0,1|2,0,0]=4 918 B12R0.66 CC(O)CN(C)CCCS(=O)(=O)O aa1b285bf90e1cc1da72abeaf9311630 [0,1,0,0,0,1|0,0,2]=4 919 B12R0.66 CN(CCCS(=O)(=O)C)CC(=O)N 44c05f699e787e08d58239e143cc0dc4 [0,1,0,0,0,1|2,0,0]=4 920 B12R0.66 CN(CCCS(=O)(=O)C)CC(=O)O bdc1af28f3fffd2522c20df89b48e829 [0,1,0,0,0,1|2,0,0]=4 921 B12R0.66 CN(CCCS(=O)(=O)N)CC(=O)N b03dbd495d21a3b0b4d20e9818f0c824 [0,1,0,0,0,1|2,0,0]=4 922 B12R0.66 CN(CCCS(=O)(=O)O)CC(=O)N 3b78f0c9c5f4217f4bb49f78c74c97b9 [0,1,0,0,0,1|1,0,0]=3 923 B12R0.66 CN(CCCS(=O)(=O)O)CC(=O)O 48ec6e2f1f594b3d654dd232b0ae1141 [0,1,0,0,0,1|1,0,0]=3 924 B12R0.66 C[C@@H](CC(=O)O)NCCS(=O)(=O)O 9cccb690262447333ff782d94faf816a [0,1,0,0,0,1|2,0,0]=4 925 B12R0.66 C[C@@H](CC(=O)O)OCCS(=O)(=O)O c1782027504a67e96ee660de9b223d4b [0,1,0,0,0,1|2,0,0]=4 926 B12R0.66 C[C@H](CC(=O)O)NCCS(=O)(=O)O 0048afa566f52117c2a5819a4a760171 [0,1,0,0,0,1|2,0,0]=4 927 B12R0.66 C[C@H](CC(=O)O)OCCS(=O)(=O)O b62ed8e5a10bfa29db456f8c1134b90c [0,1,0,0,0,1|2,0,0]=4 928 B12R0.66 C[C@H](O)CN(C)CCCS(=O)(=O)O b384d7949bf29e2168de687c29ec7853 [0,1,0,0,0,1|0,0,2]=4 929 B12R0.66 O=C(O)CC(O)CNCS(=O)(=O)O 887c381d3f1e3fdd3472cf1ef6377709 [0,1,0,0,0,1|2,0,0]=4 930 B12R0.66 O=C(O)C[C@@H](O)CNCS(=O)(=O)O 0fc8d331882c574747530e5758effb30 [0,1,0,0,0,1|2,0,0]=4 931 B12R0.66 O=C(O)C[C@H](O)CNCS(=O)(=O)O 2eb927babc24b761f08d74ac57dc243f [0,1,0,0,0,1|2,0,0]=4 932 B12R0.140 CC(=O)CCCN(C)CS(=O)(=O)S 82327e18693e897d381f19858a57cf25 [0,1,0,0,0,1|1,1,0]=4 933 B12R0.140 CC(=O)NCCN(C)CS(=O)(=O)S 62c4e54b5740bccbff0c2e67aabbde18 [0,1,0,0,0,1|0,1,0]=3 934 B12R0.140 CC(=O)NCOC(C)OS(=O)(=O)Cl 2f36e820c292c5a9b1ffb5fa1df0851c [0,1,0,0,0,1|2,0,0]=4 935 B12R0.140 CC(=O)OCCN(C)CS(=O)(=O)S ee9521f7b62904e294fa5de57f217f3a [0,1,0,0,0,1|1,1,0]=4 936 B12R0.140 CC(=O)SCCN(C)CS(=O)(=O)S 4665d550c3320f77acce7be63c5c184e [0,1,0,0,0,1|1,1,0]=4 937 B12R0.140 CN(CCCC(=O)N)CS(=O)(=O)O 211b580c65815954e8394be53ce0c8e0 [0,1,0,0,0,1|2,0,0]=4 938 B12R0.140 CN(CCNC(=O)N)CS(=O)(=O)S 47d26ee9ab929b5f5e2ebb204fd4b87e [0,1,0,0,0,1|1,1,0]=4 939 B12R0.150 C#C/C(=C/COCCS(=O)(=O)O)/C 6dad6dd561bd26857a1b656f13474319 [0,1,0,0,0,1|2,0,0]=4 940 B12R0.150 C#C/C(=C\COCCS(=O)(=O)O)/C 665af22639856c9378035379a3860e72 [0,1,0,0,0,1|2,0,0]=4 941 B12R0.150 C#CC(=O)NCCCCS(=O)(=O)C 3a1baebc12e3ebb320b530decd58be98 [0,1,0,0,0,1|1,0,1]=4 942 B12R0.150 C#CC(=O)NCCCNS(=O)(=O)C cabcf9958ec3cf630668aa0730b5aa76 [0,1,0,0,0,1|1,0,1]=4 943 B12R0.150 C#CC(C)NCCCCS(=O)(=O)O 19b5c779352f88cbc51f66754f16a141 [0,1,0,0,0,1|1,0,1]=4 944 B12R0.150 C#C[C@@H](C)NCCCCS(=O)(=O)O 9e0beae1a71cf0b6956d5ace846f8745 [0,1,0,0,0,1|1,0,1]=4 945 B12R0.150 C#C[C@H](C)NCCCCS(=O)(=O)O 9abab35ca3794dc6f698d168c7ef0f86 [0,1,0,0,0,1|1,0,1]=4 946 B12R0.150 C/C(=C\I)/COCCCS(=O)(=O)O 8b645e8999b61a7deb0e1d86cc19dceb [0,1,0,0,0,1|2,0,0]=4 947 B12R0.150 C=C(C#N)CNCCCS(=O)(=O)O f86b111f3e6aed91be8137f2ec9fc1d1 [0,1,0,0,0,1|1,0,1]=4 948 B12R0.150 C=C(C=O)OCCCCS(=O)(=O)O 2347db2c2f18603a54b7cbc5ef07fe76 [0,1,0,0,0,1|1,0,1]=4 949 B12R0.150 C=C(CC)CNCCCS(=O)(=O)C 26e57a27e12c242dc989327208c3d6ac [0,1,0,0,0,1|2,0,0]=4 950 B12R0.150 C=C(CC)CNCCCS(=O)(=O)N 06bdb607ea3be24bc4859803bd55b25a [0,1,0,0,0,1|2,0,0]=4 951 B12R0.150 C=C(CC)CNCCCS(=O)(=O)O ff69e8156d134dce80167d786e4953c8 [0,1,0,0,0,1|1,0,0]=3 952 B12R0.150 C=C(CC)CNCCOS(=O)(=O)O ff7228b44f58e9ae10dce4e4d4a4a505 [0,1,0,0,0,1|2,0,0]=4 953 B12R0.150 C=C(CC)COCCCS(=O)(=O)O eaf27b404403915308b682785060d017 [0,1,0,0,0,1|2,0,0]=4 954 B12R0.150 C=C(CNCCCS(=O)(=O)C)OC b45b440db6442b8c5f4e5f9e1f325d58 [0,1,0,0,0,1|2,0,0]=4 955 B12R0.150 C=C(CNCCCS(=O)(=O)N)OC 196ca90c4eec6a67070f4559b4c66e07 [0,1,0,0,0,1|2,0,0]=4 956 B12R0.150 C=C(CNCCCS(=O)(=O)O)OC 6302fdb5e7e140373c6fd93faf89cd7d [0,1,0,0,0,1|1,0,0]=3 957 B12R0.150 C=C(CNCCOS(=O)(=O)O)OC 704dfadaf104690208e2d7c2d040f5d0 [0,1,0,0,0,1|2,0,0]=4 958 B12R0.150 C=C(CO)CNCCCS(=O)(=O)C 42c7c571fc0edcb70b3a09c0520c0013 [0,1,0,0,0,1|2,0,0]=4 959 B12R0.150 C=C(CO)CNCCCS(=O)(=O)N eb30bdb887a50c3a3ecb52fa51ee176f [0,1,0,0,0,1|2,0,0]=4 960 B12R0.150 C=C(CO)CNCCCS(=O)(=O)O d8d2a6e37f6528a3e56012e067826749 [0,1,0,0,0,1|1,0,0]=3 961 B12R0.150 C=C(CO)CNCCOS(=O)(=O)O 8fcb4c1fce39dede92a61b65d0561563 [0,1,0,0,0,1|2,0,0]=4 962 B12R0.150 C=C(COCCCS(=O)(=O)O)OC 38be936369efc33eb05ed73482439033 [0,1,0,0,0,1|2,0,0]=4 963 B12R0.150 C=CC(=O)CCCNCS(=O)(=O)O d98d152c665e269bc6641e5782751ba9 [0,1,0,0,0,1|1,0,1]=4 964 B12R0.150 C=CC(=O)NCCCCS(=O)(=O)C f5b597d8963ac7e2ce27c0bef3b66e1b [0,1,0,0,0,1|1,0,1]=4 965 B12R0.150 C=CC(=O)NCCCNS(=O)(=O)C 6041866f416b9dbbec3028838930d1af [0,1,0,0,0,1|1,0,1]=4 966 B12R0.150 C=CC(=O)NCCNCS(=O)(=O)C 079c460830e8ef3dae1b0827cfc7d38a [0,1,0,0,0,1|1,0,1]=4 967 B12R0.150 C=CC(=O)NCCNCS(=O)(=O)N cf10171f7ff112544ce3857a2e79f56b [0,1,0,0,0,1|1,0,1]=4 968 B12R0.150 C=CC(=O)NCCNCS(=O)(=O)O 282fe7a0e4e1bb89c15607ddced734ab [0,1,0,0,0,1|0,0,1]=3 969 B12R0.150 C=CC(=O)NCCOCS(=O)(=O)C ecc507d6b3e731aa1c93f1b873e45fee [0,1,0,0,0,1|1,0,1]=4 970 B12R0.150 C=CC(=O)NCCOCS(=O)(=O)N 08e38d39c17d5044cd9837852f00afc0 [0,1,0,0,0,1|1,0,1]=4 971 B12R0.150 C=CC(=O)NCCOCS(=O)(=O)O 52346631fdb194e94d7eb31de8ae8030 [0,1,0,0,0,1|0,0,1]=3 972 B12R0.150 C=CC(=O)NCOCCS(=O)(=O)C 74adbf55f3b2ebd7cd51a7814d534ce4 [0,1,0,0,0,1|1,0,1]=4 973 B12R0.150 C=CC(=O)NCOCCS(=O)(=O)O 91f6393a9f79999b21844c7332253469 [0,1,0,0,0,1|0,0,1]=3 974 B12R0.150 C=CC(=O)OCCNCS(=O)(=O)O e2e86c97149b542309fd25a02d6e6690 [0,1,0,0,0,1|1,0,1]=4 975 B12R0.150 C=CC(=O)OCCOCS(=O)(=O)O b4b9a903e25137037950ea84bd26cd89 [0,1,0,0,0,1|1,0,1]=4 976 B12R0.150 C=CC(C)NCCCCS(=O)(=O)O 1971ec28abf704d305b47566226693d9 [0,1,0,0,0,1|1,0,1]=4 977 B12R0.150 CC(=CI)COCCCS(=O)(=O)O 010713d74c4e50e9a7ccdb7a8b17af6d [0,1,0,0,0,1|2,0,0]=4 978 B12R0.150 CC(C#N)CNCCCS(=O)(=O)O cfd056f46dccd47c93e2f2745accf20a [0,1,0,0,0,1|1,0,1]=4 979 B12R0.150 CC(C#N)NCCCCS(=O)(=O)O be3bbd91049a9f803cf9fcd90642e74c [0,1,0,0,0,1|1,0,1]=4 980 B12R0.150 CC(C=O)NCCCCS(=O)(=O)C 3c5589157e0c7c6e5c711f3fc853b686 [0,1,0,0,0,1|1,0,1]=4 981 B12R0.150 CC(C=O)NCCCNS(=O)(=O)C 478f0826aa37fad5dac35b13fda38745 [0,1,0,0,0,1|1,0,1]=4 982 B12R0.150 CC(C=O)OCCCCS(=O)(=O)O 38cc29165cb793a201b9d2ebbfb6b9a8 [0,1,0,0,0,1|1,0,1]=4 983 B12R0.150 CC(C=O)OCCCNS(=O)(=O)O 54d2cff03637229c5686489243075cb9 [0,1,0,0,0,1|1,0,1]=4 984 B12R0.150 CC(CO)CNCCCS(=O)(=O)O 3b57b597d8cf1e38ab43034d8b6cd3a1 [0,1,0,0,0,1|0,0,2]=4 985 B12R0.150 CC(CO)NCCCCS(=O)(=O)O ec230abf975c1661cca9ee29d4560f71 [0,1,0,0,0,1|0,0,2]=4 986 B12R0.150 CCC(=O)CNCCCS(=O)(=O)C f9bfb00cff12e7dc279b8e2e02f072e9 [0,1,0,0,0,1|1,0,0]=3 987 B12R0.150 CCC(=O)CNCCCS(=O)(=O)N 85aaa0ec5095dae8005bf97dd67739a9 [0,1,0,0,0,1|1,0,0]=3 988 B12R0.150 CCC(=O)CNCCCS(=O)(=O)O 1b44dcf0561696333ccc49d332466976 [0,1,0,0,0,1|0,0,0]=2 989 B12R0.150 CCC(=O)CNCCNS(=O)(=O)C 03baa00cc5334cfae5491a25250d03c9 [0,1,0,0,0,1|2,0,0]=4 990 B12R0.150 CCC(=O)CNCCOS(=O)(=O)O 06813404e800cc8a7db177c6d73eb128 [0,1,0,0,0,1|1,0,0]=3 991 B12R0.150 CCC(=O)COCCCS(=O)(=O)C 9aafd9b64d83a1399c50c6d12acfb936 [0,1,0,0,0,1|2,0,0]=4 992 B12R0.150 CCC(=O)COCCCS(=O)(=O)N 2962bf144689a31a46edd5137d94ab64 [0,1,0,0,0,1|2,0,0]=4 993 B12R0.150 CCC(=O)COCCCS(=O)(=O)O 1f1a5e12a59eb739450efbd00c2fb9e2 [0,1,0,0,0,1|1,0,0]=3 994 B12R0.150 CCC(=O)NCCCCS(=O)(=O)C 2590b05aed2706703c5d41e13380bc3c [0,1,0,0,0,1|1,0,0]=3 995 B12R0.150 CCC(=O)NCCCNS(=O)(=O)C 1dd89ded5a17af056de497728db697db [0,1,0,0,0,1|1,0,0]=3 996 B12R0.150 CCC(=O)NCCNCS(=O)(=O)C 0337f9493528176094782ba9e16ef4ba [0,1,0,0,0,1|1,0,0]=3 997 B12R0.150 CCC(=O)NCCNCS(=O)(=O)N ba6c2f9eb7ed9860140a975d0a756a3d [0,1,0,0,0,1|1,0,0]=3 998 B12R0.150 CCC(=O)NCCNCS(=O)(=O)O c62d86750dabf462b70807b35f0a80e4 [0,1,0,0,0,1|0,0,0]=2 999 B12R0.150 CCC(=O)NCCOCS(=O)(=O)C 2bc254888ca88f7bdfe441c784afc949 [0,1,0,0,0,1|1,0,0]=3 1000 B12R0.150 CCC(=O)OCCOCS(=O)(=O)C 13a73066636eafd137886acda3845c17 [0,1,0,0,0,1|2,0,0]=4 1001 B12R0.150 CCC(=O)OCCOCS(=O)(=O)N eedb40088dc80b339a298aa6af4bc4d6 [0,1,0,0,0,1|2,0,0]=4 1002 B12R0.150 CCC(=O)OCNCCS(=O)(=O)C 38a59476f346e0640c104c8db42a24d6 [0,1,0,0,0,1|2,0,0]=4 1003 B12R0.150 CCC(=O)OCNCCS(=O)(=O)O 9ed7fcb4700871689b2ac70e16d3de61 [0,1,0,0,0,1|1,0,0]=3 1004 B12R0.150 CCC(=O)OCOCCS(=O)(=O)C 65a984ead65d7998f7731248a8dafb1b [0,1,0,0,0,1|2,0,0]=4 1005 B12R0.150 CCC(=O)OCOCCS(=O)(=O)O 7eafcb2eef3dbb6fadaa3751741e8e39 [0,1,0,0,0,1|1,0,0]=3 1006 B12R0.150 CCC(C)CNCCCS(=O)(=O)O 48129e61ad1b86d74f4db7d49a20d165 [0,1,0,0,0,1|1,0,1]=4 1007 B12R0.150 CCC(O)CNCCCS(=O)(=O)O a01c967434edad8d4a4260c46cf51225 [0,1,0,0,0,1|0,0,2]=4 1008 B12R0.150 CCS(=O)CCNCCS(=O)(=O)O 8a3e5eacf6eac3bddb57e117d43d64e9 [0,1,0,0,0,1|2,0,0]=4 1009 B12R0.150 CCS(=O)CCOCCS(=O)(=O)O 994b44638bdaa52aa51ade013d69fc4d [0,1,0,0,0,1|2,0,0]=4 1010 B12R0.150 CC[C@@H](C)CNCCCS(=O)(=O)O 0ad80c424e430dfc23432868344cf4d2 [0,1,0,0,0,1|1,0,1]=4 1011 B12R0.150 CC[C@@H](O)CNCCCS(=O)(=O)O 9ebf744d67670f776f6ba1309615b338 [0,1,0,0,0,1|0,0,2]=4 1012 B12R0.150 CC[C@H](C)CNCCCS(=O)(=O)O 30b68cdc5346216153b9f1b75341322b [0,1,0,0,0,1|1,0,1]=4 1013 B12R0.150 CN(C=O)CCOCCS(=O)(=O)O 97c9fb099e2a026e7efc971d2cad1487 [0,1,0,0,0,1|2,0,0]=4 1014 B12R0.150 CNC(=O)CCCNCS(=O)(=O)O eb7dde1ad599f56122e530deb2f15096 [0,1,0,0,0,1|1,0,0]=3 1015 B12R0.150 CNC(=O)CCCOCS(=O)(=O)C b0c4f32dc68b99602c29f5339f102a91 [0,1,0,0,0,1|2,0,0]=4 1016 B12R0.150 CNC(=O)CCCOCS(=O)(=O)N 2c234ba126206ac37197e0cfa87f18fe [0,1,0,0,0,1|2,0,0]=4 1017 B12R0.150 CNC(=O)CCCOCS(=O)(=O)O 04a72b6df94f45934c1b417cbf3b612d [0,1,0,0,0,1|1,0,0]=3 1018 B12R0.150 CNC(=O)CCNCCS(=O)(=O)C e7843a0b99f4c953a256466e6ebd3ee5 [0,1,0,0,0,1|2,0,0]=4 1019 B12R0.150 CNC(=O)CCNCCS(=O)(=O)N 10fc172ec78d38f71dd814ddc2ebe719 [0,1,0,0,0,1|2,0,0]=4 1020 B12R0.150 CNC(=O)CCNCCS(=O)(=O)O fd09ddf35b1b8e492da8a230fa50126c [0,1,0,0,0,1|1,0,0]=3 1021 B12R0.150 CNC(=O)CCOCCS(=O)(=O)C 366001961ca46425698e76e254941f32 [0,1,0,0,0,1|2,0,0]=4 1022 B12R0.150 CNC(=O)CCOCCS(=O)(=O)N 0e11e41389448ba36ed94b5ae3230611 [0,1,0,0,0,1|2,0,0]=4 1023 B12R0.150 CNC(=O)CCOCCS(=O)(=O)O d5bf9d04b2b4e7e68d21e859b11d659a [0,1,0,0,0,1|1,0,0]=3 1024 B12R0.150 CNC(=O)CNCCCS(=O)(=O)C 8f3dcd8fc78c9d5c30c40c12df85f834 [0,1,0,0,0,1|1,0,0]=3 1025 B12R0.150 CNC(=O)CNCCCS(=O)(=O)N d71e26e0c9c1d7f434279e5b076a0895 [0,1,0,0,0,1|1,0,0]=3 1026 B12R0.150 CNC(=O)CNCCCS(=O)(=O)O 7ba68c575558250055695c864e961be1 [0,1,0,0,0,1|0,0,0]=2 1027 B12R0.150 CNC(=O)CNCCNS(=O)(=O)C 9fd284717dc98a88b12bfcf74f5b0385 [0,1,0,0,0,1|2,0,0]=4 1028 B12R0.150 CNC(=O)CNCCNS(=O)(=O)Cl 4d73b9c8b582f54e72c34cb097cded2f [0,1,0,0,0,1|2,0,0]=4 1029 B12R0.150 CNC(=O)CNCCOS(=O)(=O)C 10b3b504facdf258e6f38c0301b63f8e [0,1,0,0,0,1|2,0,0]=4 1030 B12R0.150 CNC(=O)CNCCOS(=O)(=O)O fcfde6df3def7327898d975858977ca5 [0,1,0,0,0,1|1,0,0]=3 1031 B12R0.150 CNC(=O)COCCCS(=O)(=O)C b34465446f19ca4c2292bdcbdf8226d5 [0,1,0,0,0,1|2,0,0]=4 1032 B12R0.150 CNC(=O)COCCCS(=O)(=O)N 799727704a2b39b3111808f01fa3885b [0,1,0,0,0,1|2,0,0]=4 1033 B12R0.150 CNC(=O)COCCCS(=O)(=O)O 0529e61075f6866447f5ec8efbc60b3d [0,1,0,0,0,1|1,0,0]=3 1034 B12R0.150 COC(=O)/C=C/CNCS(=O)(=O)O b3f70638bea35656ceab57046c9370a4 [0,1,0,0,0,1|1,0,1]=4 1035 B12R0.150 COC(=O)/C=C/COCS(=O)(=O)O 26d5bf2341ec1216420870bfbbce4d82 [0,1,0,0,0,1|1,0,1]=4 1036 B12R0.150 COC(=O)/C=C\CNCS(=O)(=O)O c4abe1341540b7c35cf179ca2a96034d [0,1,0,0,0,1|1,0,1]=4 1037 B12R0.150 COC(=O)C#CCNCS(=O)(=O)O aad0cf47594cedc36f2cf8e4ba93203e [0,1,0,0,0,1|1,0,1]=4 1038 B12R0.150 COC(=O)C#CCOCS(=O)(=O)O 2b2e3c0643a949ced8ae1aff96b4ce2c [0,1,0,0,0,1|1,0,1]=4 1039 B12R0.150 COC(=O)C=CCNCS(=O)(=O)O a04b996ed5151a46c0ea04f60af0cc63 [0,1,0,0,0,1|1,0,1]=4 1040 B12R0.150 COC(=O)CCCNCS(=O)(=O)C af0eba0c4a1903f6ca50bf7583ca0e8c [0,1,0,0,0,1|2,0,0]=4 1041 B12R0.150 COC(=O)CCCNCS(=O)(=O)O 4269ee25ce72d868d5b5afe9c1a52aaf [0,1,0,0,0,1|1,0,0]=3 1042 B12R0.150 COC(=O)CCNCCS(=O)(=O)C 952c8432006c4115376281bc98a21478 [0,1,0,0,0,1|2,0,0]=4 1043 B12R0.150 COC(=O)CCNCCS(=O)(=O)N 3231e7095d370946d21c18607eccb11a [0,1,0,0,0,1|2,0,0]=4 1044 B12R0.150 COC(=O)CCNCCS(=O)(=O)O e6e9fd92d3d1f40c5a0fa31ac932c3f7 [0,1,0,0,0,1|1,0,0]=3 1045 B12R0.150 COC(=O)CCOCCS(=O)(=O)C 6950cb3026258eab37bbd120d320fd7e [0,1,0,0,0,1|2,0,0]=4 1046 B12R0.150 COC(=O)CCOCCS(=O)(=O)N f7d4c88ac9da7810ff87e679c05a84f0 [0,1,0,0,0,1|2,0,0]=4 1047 B12R0.150 COC(=O)CCOCCS(=O)(=O)O f69a2df382c403e0ed477a526927807e [0,1,0,0,0,1|1,0,0]=3 1048 B12R0.150 COC(=O)CNCCCS(=O)(=O)C 0a8f0aeb46f7b174ae04221d0c8a4e23 [0,1,0,0,0,1|1,0,0]=3 1049 B12R0.150 COC(=O)CNCCCS(=O)(=O)N 0435760809d75236717b7c3cd14a642a [0,1,0,0,0,1|1,0,0]=3 1050 B12R0.150 COC(=O)CNCCCS(=O)(=O)O ed52bf1a914919f2f3dd9e082c2ee338 [0,1,0,0,0,1|0,0,0]=2 1051 B12R0.150 COC(=O)CNCCNS(=O)(=O)C d30a5a96a13e75e2d337a5e26b1e11c5 [0,1,0,0,0,1|2,0,0]=4 1052 B12R0.150 COC(=O)CNCCNS(=O)(=O)Cl 4fffe4950d52f306a5718b74906331d9 [0,1,0,0,0,1|2,0,0]=4 1053 B12R0.150 COC(=O)CNCCOS(=O)(=O)C 80922d65e7e9c5b20cfd86778ba01e15 [0,1,0,0,0,1|2,0,0]=4 1054 B12R0.150 COC(=O)CNCCOS(=O)(=O)O f1b2ce4205323adaee6bb283f132a1a0 [0,1,0,0,0,1|1,0,0]=3 1055 B12R0.150 COC(=O)COCCCS(=O)(=O)C 1aaab94a1075d8b51f91bcced4c703b5 [0,1,0,0,0,1|2,0,0]=4 1056 B12R0.150 COC(=O)COCCCS(=O)(=O)N 6bbe677896ed77dee06b5b2c34fdb84c [0,1,0,0,0,1|2,0,0]=4 1057 B12R0.150 COC(=O)COCCCS(=O)(=O)O b30a514829fcb1bf90bd8b6971ee94f7 [0,1,0,0,0,1|1,0,0]=3 1058 B12R0.150 COC(=O)OCCOCS(=O)(=O)C e0e03b6ede7d9be3ce6b60921a499818 [0,1,0,0,0,1|2,0,0]=4 1059 B12R0.150 COC(=O)OCCOCS(=O)(=O)N 9358c38643886b0461b8d99746e12c55 [0,1,0,0,0,1|2,0,0]=4 1060 B12R0.150 COC(=O)OCNCCS(=O)(=O)C ec34c51dc99b16c1da5a6bc977fc43b7 [0,1,0,0,0,1|2,0,0]=4 1061 B12R0.150 COC(=O)OCNCCS(=O)(=O)N 5981f2cc5fd9eb347ff7fc3e4d691b0a [0,1,0,0,0,1|2,0,0]=4 1062 B12R0.150 COC(=O)OCNCCS(=O)(=O)O 0e845bc7ae49922e1770e545f0351961 [0,1,0,0,0,1|1,0,0]=3 1063 B12R0.150 COC(=O)OCOCCS(=O)(=O)C 2c8bce664a141e94999196e5361b396d [0,1,0,0,0,1|2,0,0]=4 1064 B12R0.150 COC(=O)OCOCCS(=O)(=O)O 2f9cbd1c30c371a670efd5b885aa2bee [0,1,0,0,0,1|1,0,0]=3 1065 B12R0.150 COC(C)CNCCCS(=O)(=O)O dc16e7c3564556ee47cbde43b5e09f12 [0,1,0,0,0,1|0,0,2]=4 1066 B12R0.150 CO[C@@H](C)CNCCCS(=O)(=O)O 1b89a20b151f848f28aecb4a64040458 [0,1,0,0,0,1|0,0,2]=4 1067 B12R0.150 CO[C@H](C)CNCCCS(=O)(=O)O 8dadb3db43c21a6dbbcbb28df1ce831f [0,1,0,0,0,1|0,0,2]=4 1068 B12R0.150 CS(=O)(=O)CCCCNC(=O)C=O 2d148361b6a233bfc42c0057adb9fceb [0,1,0,0,0,1|1,0,1]=4 1069 B12R0.150 CS(=O)(=O)CCCCNC(=O)CO 90e4d081cb33964993c745f155c47520 [0,1,0,0,0,1|1,0,0]=3 1070 B12R0.150 CS(=O)(=O)CCCNCC(=O)CO e65e72e4525b0b59d59ff44de6ca830e [0,1,0,0,0,1|1,0,0]=3 1071 B12R0.150 CS(=O)(=O)CCCNCC(=O)NO 86cef4ed37ad196d92589799c493cec3 [0,1,0,0,0,1|2,0,0]=4 1072 B12R0.150 CS(=O)(=O)NCCCNC(=O)C=O 94789acbb2505f1525f24e5cccccea27 [0,1,0,0,0,1|1,0,1]=4 1073 B12R0.150 CS(=O)(=O)NCCCNC(=O)CF 3e55dcab5e9e4de1af474a9e5926d755 [0,1,0,0,0,1|1,0,0]=3 1074 B12R0.150 CS(=O)(=O)NCCCNC(=O)CO 4e4dc4d8e59247d88ef687fa35088f14 [0,1,0,0,0,1|1,0,0]=3 1075 B12R0.150 CS(=O)(=O)NCCCNC(=O)CS 886d7134efe16776199796df57c51d3e [0,1,0,0,0,1|1,0,0]=3 1076 B12R0.150 CS(=O)(=O)NCCNCC(=O)CO e9518632b7d0082c53bd397f953163a7 [0,1,0,0,0,1|2,0,0]=4 1077 B12R0.150 C[C@@H](CO)CNCCCS(=O)(=O)O 8862e6f650f5a13a292010772bd4a978 [0,1,0,0,0,1|0,0,2]=4 1078 B12R0.150 C[C@@H](CO)NCCCCS(=O)(=O)O 0e4514ffef7a0a61391900fc08ea1c87 [0,1,0,0,0,1|0,0,2]=4 1079 B12R0.150 C[C@H](C=O)NCCCCS(=O)(=O)C 18713535fb7bf436cb6ccfa7f7ebc8fe [0,1,0,0,0,1|1,0,1]=4 1080 B12R0.150 C[C@H](C=O)NCCCNS(=O)(=O)C f1c66e8b32f01b4db8277a1163411d5f [0,1,0,0,0,1|1,0,1]=4 1081 B12R0.150 C[C@H](C=O)OCCCCS(=O)(=O)O 495753328381c2f1291bfae61da6cf83 [0,1,0,0,0,1|1,0,1]=4 1082 B12R0.150 C[C@H](C=O)OCCCNS(=O)(=O)O 28e050c4afb91e8eba976588bf954d02 [0,1,0,0,0,1|1,0,1]=4 1083 B12R0.150 C[C@H](CO)CNCCCS(=O)(=O)O 4bdf0ee4ba381266e9c20b1f80c7cfb6 [0,1,0,0,0,1|0,0,2]=4 1084 B12R0.150 C[C@H](CO)NCCCCS(=O)(=O)O deaf30d594a816f2cf8b6c8937c3cbdc [0,1,0,0,0,1|0,0,2]=4 1085 B12R0.150 NS(=O)(=O)CCCNCC(=O)CO 9224d0725e8999b68d21ef80aff0d2ed [0,1,0,0,0,1|1,0,0]=3 1086 B12R0.150 NS(=O)(=O)CCCNCC(=O)NO e95aabcb5015c3c9bc6011c98d061d37 [0,1,0,0,0,1|2,0,0]=4 1087 B12R0.150 O=C(CCNCCS(=O)(=O)O)NO 2fc120aee898c4aa602223d355bee35e [0,1,0,0,0,1|2,0,0]=4 1088 B12R0.150 O=C(CNCCCS(=O)(=O)O)NO f40104fe98183657815404b32c7a99e2 [0,1,0,0,0,1|1,0,0]=3 1089 B12R0.150 O=C(CO)CNCCCS(=O)(=O)O 46368dbb457d31c0072ddeab83562664 [0,1,0,0,0,1|0,0,0]=2 1090 B12R0.150 O=C(CO)CNCCOS(=O)(=O)O 7d94bfbc5bb54588244670e7477b4798 [0,1,0,0,0,1|1,0,0]=3 1091 B12R0.150 O=S(=O)(O)CCCNC/C(=C/Cl)/Cl 8f4f380dde4cd15cba6a0f8920e3dde8 [0,1,0,0,0,1|1,0,1]=4 1092 B12R0.150 O=S(=O)(O)CCCNCC(Br)CBr a3cd606f0ef69777999f5e483aa2fc04 [0,1,0,0,0,1|1,0,1]=4 1093 B12R0.150 O=S(=O)(O)CCCNCC(F)CO 1dd78c25ed2dc6843ea3549eb2422022 [0,1,0,0,0,1|1,0,1]=4 1094 B12R0.150 O=S(=O)(O)CCCNCC(O)CF 4a447f977549e713ee90091cdc22fb8d [0,1,0,0,0,1|0,0,2]=4 1095 B12R0.150 O=S(=O)(O)CCCNCC(O)CO 504577e78f380d111cca6b09fd6b0b4a [0,1,0,0,0,1|0,0,2]=4 1096 B12R0.150 O=S(=O)(O)CCCNC[C@@H](F)CO 74ae5fe628140a1cbac2ee7cf1441dcb [0,1,0,0,0,1|1,0,1]=4 1097 B12R0.150 O=S(=O)(O)CCCNC[C@@H](O)CO ccb855fadc16998317e348b483432a47 [0,1,0,0,0,1|0,0,2]=4 1098 B12R0.150 O=S(=O)(O)CCCNC[C@H](F)CO d0e6384ec95eb85a7b5256f69b63413f [0,1,0,0,0,1|1,0,1]=4 1099 B12R0.150 O=S(=O)(O)CCCNC[C@H](O)CO 85c9fc30c0beefdcec8e393b7ac66599 [0,1,0,0,0,1|0,0,2]=4 1100 B12R0.210 C=C(C)CCOCCS(=O)(=O)OC c52d8e491cefd4132414ab9911bd6270 [0,1,0,0,0,1|2,0,0]=4 1101 B12R0.210 CCS(=O)(=O)CCCCNC(=O)C 99f398a1f4d73077f4575629dd28b848 [0,1,0,0,0,1|1,0,0]=3 1102 B12R0.210 CCS(=O)(=O)CCNCCC(=O)C 3690b75040b39c76cab12331852ad542 [0,1,0,0,0,1|2,0,0]=4 1103 B12R0.210 CCS(=O)(=O)CCNCOC(=O)C 5bb3c8abecee5e1a4e7b8e36722bf49f [0,1,0,0,0,1|2,0,0]=4 1104 B12R0.210 CCS(=O)(=O)CCOCCC(=O)C 8f844fc5c27fcfeef0ffbcbd50e406f2 [0,1,0,0,0,1|2,0,0]=4 1105 B12R0.210 CCS(=O)(=O)CCOCNC(=O)C cb55b371bb02dbe59a52dce135ad501a [0,1,0,0,0,1|1,0,0]=3 1106 B12R0.210 CCS(=O)(=O)CCOCNC(=O)N 3e99dc48c631ab67c454aaff0b17f67e [0,1,0,0,0,1|2,0,0]=4 1107 B12R0.210 CCS(=O)(=O)CCOCOC(=O)C 58ccd7899467352cb0376e63b9782f31 [0,1,0,0,0,1|2,0,0]=4 1108 B12R0.210 CCS(=O)(=O)CNCCNC(=O)C 12a848edb751129d5d4a94dd2af51f87 [0,1,0,0,0,1|1,0,0]=3 1109 B12R0.210 CCS(=O)(=O)COCCOC(=O)C 9cd8c08f39b21ea88c7ad2ed9dec9e12 [0,1,0,0,0,1|2,0,0]=4 1110 B12R0.210 CNS(=O)(=O)CCOCCC(=O)C 7d5829b29bc8f15ba394feda7487b5a7 [0,1,0,0,0,1|2,0,0]=4 1111 B12R0.210 CNS(=O)(=O)CCOCNC(=O)C 8e25f76c92b0991e48ef1b957f495ca1 [0,1,0,0,0,1|1,0,0]=3 1112 B12R0.210 CNS(=O)(=O)CCOCNC(=O)N a6a2523f9d8cadc9eea3b562924fb021 [0,1,0,0,0,1|2,0,0]=4 1113 B12R0.210 CNS(=O)(=O)CNCCNC(=O)C 388475a3325fe99785b875731f7f05c6 [0,1,0,0,0,1|1,0,0]=3 1114 B12R0.210 CNS(=O)(=O)COCCCC(=O)C 15a21fa887e6f3e4e0e60042cb908381 [0,1,0,0,0,1|2,0,0]=4 1115 B12R0.210 CNS(=O)(=O)COCCNC(=O)C 1c79fbad8b01363da28f1d1bd7e1f77a [0,1,0,0,0,1|1,0,0]=3 1116 B12R0.210 CNS(=O)(=O)COCCNC(=O)N 7c42a1bd3d63dd1a18b4db90a5cdc280 [0,1,0,0,0,1|2,0,0]=4 1117 B12R0.210 CNS(=O)(=O)COCCOC(=O)C 2409814a173ca39c7a96fc75dfcfda28 [0,1,0,0,0,1|2,0,0]=4 1118 B12R0.210 COS(=O)(=O)CCOC/C=C(/C)\I c259f95cf76c60e1e0fe032fef564e41 [0,1,0,0,0,1|2,0,0]=4 1119 B12R0.210 COS(=O)(=O)CCOC/C=C(\C)/Cl 413141d1e28298d95c33f70e17f4e361 [0,1,0,0,0,1|2,0,0]=4 1120 B12R0.210 COS(=O)(=O)CCOCC=C(C)C d9228d730dd9570192bf28427f34af9d [0,1,0,0,0,1|2,0,0]=4 1121 B12R0.210 COS(=O)(=O)CCOCC=C(C)Cl 0b40e4dbca0a80b4388535f0dabe4dfe [0,1,0,0,0,1|2,0,0]=4 1122 B12R0.210 COS(=O)(=O)CCOCC=C(C)I efbdf7747103507cf7775a9a3a7d868a [0,1,0,0,0,1|2,0,0]=4 1123 B12R0.210 COS(=O)(=O)CCOCCC(=O)C 95200bcea55d732ec99e8bf425ae86f6 [0,1,0,0,0,1|1,0,0]=3 1124 B12R0.210 COS(=O)(=O)CCOCCC(=O)N 35755d0b591f0abbc0060dd4ddea44c8 [0,1,0,0,0,1|2,0,0]=4 1125 B12R0.210 COS(=O)(=O)CCOCCC(=O)O 175b9e95b64101c4ceab180786c6cef3 [0,1,0,0,0,1|2,0,0]=4 1126 B12R0.210 COS(=O)(=O)CCOCCS(=O)C 630c969a8b54df0d826705778fe619f1 [0,1,0,0,0,1|2,0,0]=4 1127 B12R0.210 COS(=O)(=O)CCOCOC(=O)C 26a406200656891f8e8c4993d94d7ee7 [0,1,0,0,0,1|1,0,0]=3 1128 B12R0.210 COS(=O)(=O)CCOCSC(=O)N ed4bdfb6fdace5e39ae797e2d57c1912 [0,1,0,0,0,1|2,0,0]=4 1129 B12R0.264 C=C(Br)C(=O)NCCCS(=O)(=O)O 37ece46666653d1e0416895f08ff53b6 [0,1,0,0,0,1|1,0,1]=4 1130 B12R0.264 C=C(C)C(=O)NCCCS(=O)(=O)C b6645139d2ed88837cedf9bba1cb57bc [0,1,0,0,0,1|2,0,0]=4 1131 B12R0.264 C=C(C)C(=O)NCCCS(=O)(=O)O 9c356edf0e627743626753ff0cef8c7c [0,1,0,0,0,1|1,0,0]=3 1132 B12R0.264 C=C(C)C(=O)NCCOS(=O)(=O)O d8e31b73c40f6a8ba4f6923dcc506c55 [0,1,0,0,0,1|2,0,0]=4 1133 B12R0.264 C=C(CNCCS(=O)(=O)O)C(=O)O ad0293b77025e76d07cf1deeb382eee8 [0,1,0,0,0,1|2,0,0]=4 1134 B12R0.264 C=C(COCCS(=O)(=O)O)C(=O)O e98fbd5b619cb60c5ae8762222ddc7eb [0,1,0,0,0,1|2,0,0]=4 1135 B12R0.264 C=C(Cl)C(=O)NCCCS(=O)(=O)O aec71a5884cb1785817be06093808442 [0,1,0,0,0,1|1,0,1]=4 1136 B12R0.264 C=C(F)C(=O)NCCCS(=O)(=O)O 2f833428e96c34b5b426917c83308435 [0,1,0,0,0,1|1,0,1]=4 1137 B12R0.264 CC(=O)C(=O)CNCCS(=O)(=O)C da212d9101773af1449e8e4f59810d00 [0,1,0,0,0,1|2,0,0]=4 1138 B12R0.264 CC(=O)C(=O)CNCCS(=O)(=O)N 8fbe678dfa51ef0d3c74747bcc06322d [0,1,0,0,0,1|2,0,0]=4 1139 B12R0.264 CC(=O)C(=O)CNCCS(=O)(=O)O ae9609c97e6504fbfa47bab678b3c8e6 [0,1,0,0,0,1|1,0,0]=3 1140 B12R0.264 CC(=O)C(=O)COCCS(=O)(=O)C e556744cbcfe1b78d851973f59df43d1 [0,1,0,0,0,1|2,0,0]=4 1141 B12R0.264 CC(=O)C(=O)COCCS(=O)(=O)N 9c38eaefab3ad0c57f76ef8a3ccf8c63 [0,1,0,0,0,1|2,0,0]=4 1142 B12R0.264 CC(=O)C(=O)COCCS(=O)(=O)O f8ddf53e53353363dc31d8cab57e2fed [0,1,0,0,0,1|1,0,0]=3 1143 B12R0.264 CC(=O)C(=O)NCCCS(=O)(=O)C 18597edaf873485d72a49f9bc78a6015 [0,1,0,0,0,1|1,0,0]=3 1144 B12R0.264 CC(=O)C(=O)NCCCS(=O)(=O)O c7d21ad68bcf989a0d7a16f01ea16719 [0,1,0,0,0,1|0,0,0]=2 1145 B12R0.264 CC(=O)C(=O)NCCNS(=O)(=O)C 4de977590c5c529485680a7402003641 [0,1,0,0,0,1|2,0,0]=4 1146 B12R0.264 CC(=O)C(=O)NCCOS(=O)(=O)O 0630fb13c5dd6ed380d240848d37c0f4 [0,1,0,0,0,1|1,0,0]=3 1147 B12R0.264 CC(=O)C(C)COCCS(=O)(=O)C 3a928f02d94b9bf2c43d83348743c221 [0,1,0,0,0,1|2,0,0]=4 1148 B12R0.264 CC(=O)C(C)COCCS(=O)(=O)O 39a564510e85a1778bd96f9b653d8bac [0,1,0,0,0,1|1,0,0]=3 1149 B12R0.264 CC(=O)C(C)NCCCS(=O)(=O)C 246761e822f8f7c093ec64bc74e053eb [0,1,0,0,0,1|1,0,0]=3 1150 B12R0.264 CC(=O)C(C)NCCCS(=O)(=O)N d7ebee22f986fdac1652800f5edf8125 [0,1,0,0,0,1|1,0,0]=3 1151 B12R0.264 CC(=O)C(C)NCCCS(=O)(=O)O af99ba58563eabae1ab74cf2e439be0e [0,1,0,0,0,1|0,0,0]=2 1152 B12R0.264 CC(=O)C(C)NCCNS(=O)(=O)C f117c20f4c4f3b6e3b2ce1d5e48538b0 [0,1,0,0,0,1|2,0,0]=4 1153 B12R0.264 CC(=O)C(C)NCCOS(=O)(=O)O 1c90c5c72a25c74ab45de9068ff70492 [0,1,0,0,0,1|1,0,0]=3 1154 B12R0.264 CC(=O)C(C)OCCCS(=O)(=O)C 6f54b178059a88b977fcb5f93e0cdaac [0,1,0,0,0,1|2,0,0]=4 1155 B12R0.264 CC(=O)C(C)OCCCS(=O)(=O)N 66d736616acc9d36a2496e114cabc8b4 [0,1,0,0,0,1|2,0,0]=4 1156 B12R0.264 CC(=O)C(C)OCCCS(=O)(=O)O 6d922aed23d210c8d7b6daff052cc569 [0,1,0,0,0,1|1,0,0]=3 1157 B12R0.264 CC(=O)N(C)CCOCS(=O)(=O)C ef6e6508ec53dd2ae25a85ea667b7b4d [0,1,0,0,0,1|1,0,0]=3 1158 B12R0.264 CC(C)C(C)NCCCS(=O)(=O)O 971edf6023d62c1f88ed9e3d8abadc04 [0,1,0,0,0,1|1,0,1]=4 1159 B12R0.264 CC(C)N(C)CCNCS(=O)(=O)O 66155c7bc2a91381a5e4a093e2c0b15a [0,1,0,0,0,1|1,0,1]=4 1160 B12R0.264 CC(C)[C@@H](C)NCCCS(=O)(=O)O e6b95f494fbeb310081ba1c2f68b5fe5 [0,1,0,0,0,1|1,0,1]=4 1161 B12R0.264 CC(C)[C@H](C)NCCCS(=O)(=O)O 6f47d207bf206eded7d921d26edbcdc4 [0,1,0,0,0,1|1,0,1]=4 1162 B12R0.264 CC(CNCCS(=O)(=O)O)C(=O)O 23d2bf10f173695a0e70a3742ba232a5 [0,1,0,0,0,1|2,0,0]=4 1163 B12R0.264 CC(COCCS(=O)(=O)O)C(=O)O 0822e27e6c5e4863b0f7a6c70b07c8f2 [0,1,0,0,0,1|2,0,0]=4 1164 B12R0.264 CC(NCCCS(=O)(=O)C)C(=O)N 417c018743b9e9dc5fea1107bd571b72 [0,1,0,0,0,1|2,0,0]=4 1165 B12R0.264 CC(NCCCS(=O)(=O)C)C(=O)O e4bf91b58e40b6c3364c326258611d98 [0,1,0,0,0,1|2,0,0]=4 1166 B12R0.264 CC(NCCCS(=O)(=O)N)C(=O)N 03f34d370c5571877c6db8c51a905ba3 [0,1,0,0,0,1|2,0,0]=4 1167 B12R0.264 CC(NCCCS(=O)(=O)N)C(=O)O b1468d77a7d74c6e56b1c8989b4b3b9b [0,1,0,0,0,1|2,0,0]=4 1168 B12R0.264 CC(NCCCS(=O)(=O)O)C(=O)N f501a9108cac37ddece87ec7f292ccb2 [0,1,0,0,0,1|1,0,0]=3 1169 B12R0.264 CC(NCCCS(=O)(=O)O)C(=O)O 51670b91653ac81ad574f60be2e11836 [0,1,0,0,0,1|1,0,0]=3 1170 B12R0.264 CC(NCCOS(=O)(=O)O)C(=O)N 5787b2511ca504fafe4ba98ad9e0386a [0,1,0,0,0,1|2,0,0]=4 1171 B12R0.264 CC(O)C(=O)NCCCS(=O)(=O)O 6c799f7f5879fef2eaf7c7c0e2663b4c [0,1,0,0,0,1|0,0,2]=4 1172 B12R0.264 CC(O)C(C)NCCCS(=O)(=O)O d5575103a42359cc73516f3b75e6d5d1 [0,1,0,0,0,1|0,0,2]=4 1173 B12R0.264 CC(OCCCS(=O)(=O)O)C(=O)N 913e5814e5feaa69c25f3fe6378a7be8 [0,1,0,0,0,1|2,0,0]=4 1174 B12R0.264 CC(OCCCS(=O)(=O)O)C(=O)O 17bbc95360fb4a5c7e33691f4058d3a5 [0,1,0,0,0,1|2,0,0]=4 1175 B12R0.264 CC(S)C(=O)NCCCS(=O)(=O)O 5c801aaf891d6921d023ea584341a65a [0,1,0,0,0,1|0,1,1]=4 1176 B12R0.264 CS(=O)(=O)CCCNC(=O)C(=O)N 0273d90ebdebb6aacd9124b79cbe20e2 [0,1,0,0,0,1|2,0,0]=4 1177 B12R0.264 CS(=O)(=O)CCCNC(F)C(=O)N 937f45a7cd77cda7903fc0cef2b79b11 [0,1,0,0,0,1|2,0,0]=4 1178 B12R0.264 CS(=O)(=O)CCCNC(O)C(=O)O a5ffba154646223a26b072868ab6b082 [0,1,0,0,0,1|2,0,0]=4 1179 B12R0.264 C[C@@H](CNCCS(=O)(=O)O)C(=O)O 45f796f2fbec34233d0ea87f09c00df5 [0,1,0,0,0,1|2,0,0]=4 1180 B12R0.264 C[C@@H](COCCS(=O)(=O)O)C(=O)O 86f5252b1504399631af1b7abecfbbc1 [0,1,0,0,0,1|2,0,0]=4 1181 B12R0.264 C[C@@H](NCCCS(=O)(=O)C)C(=O)N b69f9ad438584a6bbec4d86ad789c699 [0,1,0,0,0,1|2,0,0]=4 1182 B12R0.264 C[C@@H](NCCCS(=O)(=O)C)C(=O)O a3fb57962be914adbb771228b5e3b3ac [0,1,0,0,0,1|2,0,0]=4 1183 B12R0.264 C[C@@H](NCCCS(=O)(=O)N)C(=O)N d02a74e3d01dba95e66fe419bc7afa5c [0,1,0,0,0,1|2,0,0]=4 1184 B12R0.264 C[C@@H](NCCCS(=O)(=O)N)C(=O)O c9a9bf23d7a0d6c728f31c853fc8aa02 [0,1,0,0,0,1|2,0,0]=4 1185 B12R0.264 C[C@@H](NCCCS(=O)(=O)O)C(=O)N ad504353c06ea27a843954f348787da4 [0,1,0,0,0,1|1,0,0]=3 1186 B12R0.264 C[C@@H](NCCCS(=O)(=O)O)C(=O)O 92514794ce7114b542a08c72beabd6d1 [0,1,0,0,0,1|1,0,0]=3 1187 B12R0.264 C[C@@H](NCCOS(=O)(=O)O)C(=O)N b08e1f6fd056e51933dc009b98ff375e [0,1,0,0,0,1|2,0,0]=4 1188 B12R0.264 C[C@@H](O)C(=O)NCCCS(=O)(=O)O 0b41e55da5817dd22ea4f1d76da04ee0 [0,1,0,0,0,1|0,0,2]=4 1189 B12R0.264 C[C@@H](OCCCS(=O)(=O)O)C(=O)N 51737f52b7da6bd9c227df58bda43ce4 [0,1,0,0,0,1|2,0,0]=4 1190 B12R0.264 C[C@@H](OCCCS(=O)(=O)O)C(=O)O 2cefd63f1cfe13dd4609a7521511476b [0,1,0,0,0,1|2,0,0]=4 1191 B12R0.264 C[C@H](CNCCS(=O)(=O)O)C(=O)O 7cd2d4ea9dc5a6bd5634564d4a5ab0ab [0,1,0,0,0,1|2,0,0]=4 1192 B12R0.264 C[C@H](COCCS(=O)(=O)O)C(=O)O 8c4935b3a62f0fc8f3bbc2e8ee298a61 [0,1,0,0,0,1|2,0,0]=4 1193 B12R0.264 C[C@H](NCCCS(=O)(=O)C)C(=O)N 5a82b6e63bce3d056765c3d7df97dae9 [0,1,0,0,0,1|2,0,0]=4 1194 B12R0.264 C[C@H](NCCCS(=O)(=O)C)C(=O)O e23ef576ad807e45e58a7393e4c95640 [0,1,0,0,0,1|2,0,0]=4 1195 B12R0.264 C[C@H](NCCCS(=O)(=O)N)C(=O)N 087241694c82ed797d6cdfe0217008a0 [0,1,0,0,0,1|2,0,0]=4 1196 B12R0.264 C[C@H](NCCCS(=O)(=O)N)C(=O)O 7fa4fcdbcb4948a07dccaa1eb194cd09 [0,1,0,0,0,1|2,0,0]=4 1197 B12R0.264 C[C@H](NCCCS(=O)(=O)O)C(=O)N 58c8b303160cf6ce8052885c7e193303 [0,1,0,0,0,1|1,0,0]=3 1198 B12R0.264 C[C@H](NCCCS(=O)(=O)O)C(=O)O 26a93563b4dafaa4acf2d14c6ab1b8ab [0,1,0,0,0,1|1,0,0]=3 1199 B12R0.264 C[C@H](NCCOS(=O)(=O)O)C(=O)N a893589e80c0a4cb878b23348c40e609 [0,1,0,0,0,1|2,0,0]=4 1200 B12R0.264 C[C@H](O)C(=O)NCCCS(=O)(=O)O 2634bafdfc7695d871ae1bf77165efd1 [0,1,0,0,0,1|0,0,2]=4 1201 B12R0.264 C[C@H](OCCCS(=O)(=O)O)C(=O)N 194c3e08e03525da84985db185693afd [0,1,0,0,0,1|2,0,0]=4 1202 B12R0.264 C[C@H](OCCCS(=O)(=O)O)C(=O)O e047e179fe6b10d09bfcf6d70a0cd708 [0,1,0,0,0,1|2,0,0]=4 1203 B12R0.264 NC(=O)C(=O)NCCCS(=O)(=O)O abf3f633edf15f5bb338ca89e71ffb2a [0,1,0,0,0,1|1,0,0]=3 1204 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d86f6bf410b63c68224a8b96b7405fe1 [0,1,0,0,0,1|1,0,1]=4 1256 B12R0.638 CS(=N)(=O)CCOCCS(=O)(=O)O 899c80a9788bf05e2574fbb0a2b3c72e [0,1,0,0,0,1|2,0,0]=4 1257 B12R0.638 CS(=O)(=O)CCCNCS(=O)(=O)C cb6e6d6483c3124d23c9fdcff28c42a3 [0,1,0,0,0,1|2,0,0]=4 1258 B12R0.638 CS(=O)(=O)CCCNCS(=O)(=O)O b58b8891310680d960cdf03cb09a2ff7 [0,1,0,0,0,1|2,0,0]=4 1259 B12R0.638 CS(=O)(=O)CCNCCS(=O)(=O)O de7a4c557329229232a1c29f2184ecc6 [0,1,0,0,0,1|2,0,0]=4 1260 B12R0.638 CS(=O)(=O)CCOCCS(=O)(=O)O 392b9ff246a6796071c3107cec759755 [0,1,0,0,0,1|2,0,0]=4 1261 B12R0.638 CS(=O)(=O)CNCCCS(=O)(=O)O cbd3bb3723d3433cb9a85b661ed5bb5f [0,1,0,0,0,1|1,0,0]=3 1262 B12R0.638 CS(=O)(=O)CNCCNS(=O)(=O)C aff847445893748feb27c1ae3900d589 [0,1,0,0,0,1|2,0,0]=4 1263 B12R0.638 CS(=O)(=O)CNCCOS(=O)(=O)O a6f698658e390ab8a5e6507d9b090143 [0,1,0,0,0,1|2,0,0]=4 1264 B12R0.638 CS(=O)(=O)COCCCS(=O)(=O)O 7a68cc410b0382b11dbd8836d1b84e20 [0,1,0,0,0,1|2,0,0]=4 1265 B12R0.638 CS(=O)(=O)COCCNS(=O)(=O)C b83a10153aac0a2d2a83ab47f82706ea [0,1,0,0,0,1|2,0,0]=4 1266 B12R0.638 CS(=O)(=O)NCCNCS(=O)(=O)N 52c964fc3d10b2dfcf8565c193238133 [0,1,0,0,0,1|2,0,0]=4 1267 B12R0.638 CS(=O)(=O)NCCNCS(=O)(=O)O f0e793c68d47f059724c7d4829b27cee [0,1,0,0,0,1|1,0,0]=3 1268 B12R0.638 CS(=O)(=O)OCCNCS(=O)(=O)O 1c3575c6e6359c8ee5ac18d4341e74fd [0,1,0,0,0,1|2,0,0]=4 1269 B12R0.638 NS(=O)(=O)CNCCCS(=O)(=O)O 194eeaec3dcc45b4760aa82eca01b5be [0,1,0,0,0,1|2,0,0]=4 1270 B12R0.638 O=S(=O)(O)CCCNCS(=O)(=O)O 9a53ea446c9f807bbee374f5f1b7106b [0,1,0,0,0,1|2,0,0]=4 1271 B12R0.638 O=S(=O)(O)CNCCNS(=O)(=O)Cl 938609e68ccaa6f46ad8f6fdf9dbd138 [0,1,0,0,0,1|2,0,0]=4 1272 B12R0.155 CNC(=O)CCN(C)CS(=O)(=O)O 2c11242b06d3d3554ab1589f981fa499 [0,2,0,0,0,0|2,0,0]=4 1273 B12R0.155 COC(=O)CCN(C)CS(=O)(=O)O 54901a5d2641ce2e27b093988b3bcd28 [0,2,0,0,0,0|2,0,0]=4 1274 B12R0.316 CN(CCCS(=O)(=O)O)C(C)(C)C b339055484f8ea0b810b87730dad80d9 [0,2,0,0,0,0|1,0,1]=4 1275 B12R0.320 CCC(=O)NCCN(C)S(=O)(=O)C 4f74636c6659a455fdc61c0edc99c77c [0,2,0,0,0,0|2,0,0]=4 1276 B12R0.320 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88a545a1b0ff8e77c8482bf466511ca7 [0,2,0,0,0,0|1,0,1]=4 1383 B12R0.72 O=C(C#CBr)NCCCS(=O)(=O)O 54e2e20252b342d3a156b546878e402c [0,2,0,0,0,0|0,0,1]=3 1384 B12R0.72 O=C(C=CBr)NCCCS(=O)(=O)O d9d0cfcf91f47154f7b14510d6d23795 [0,2,0,0,0,0|0,0,1]=3 1385 B12R0.72 O=C(C=CBr)NCCOS(=O)(=O)O db085bd34c3e9b1b4570c03237119bfd [0,2,0,0,0,0|1,0,1]=4 1386 B12R0.72 O=C(C=CI)NCCCS(=O)(=O)O 648e296f8493808514265c9ca895eb80 [0,2,0,0,0,0|0,0,1]=3 1387 B12R0.72 O=C(C=CI)NCCOS(=O)(=O)O daa72fddff9abf2e6e57d0d0e03e99c4 [0,2,0,0,0,0|1,0,1]=4 1388 B12R0.72 O=C(CCF)NCCCS(=O)(=O)O 99a404fe9274fb4a7a7ca89a716c0343 [0,2,0,0,0,0|0,0,0]=2 1389 B12R0.72 O=C(CCF)NCCOS(=O)(=O)O cc107f456b2014648da5f4996ea42df1 [0,2,0,0,0,0|1,0,0]=3 1390 B12R0.72 O=C(CCO)NCCCS(=O)(=O)O 37f73e5d2307def597ee97ca387cc0f9 [0,2,0,0,0,0|0,0,0]=2 1391 B12R0.72 O=C(CCO)NCCOS(=O)(=O)O 92a2fbc46287b5d0ee1d741a15309ec9 [0,2,0,0,0,0|1,0,0]=3 1392 B12R0.72 O=C(CCS)NCCCS(=O)(=O)O 983c9124ea6da0980f124b0e12273985 [0,2,0,0,0,0|0,0,0]=2 1393 B12R0.72 O=C(CCS)NCCOS(=O)(=O)O 72be9fb0168650d86e8e216c6124d744 [0,2,0,0,0,0|1,0,0]=3 1394 B12R0.72 O=C(CNCCS(=O)(=O)O)NCO 71b65609d257e973429d5b859e6f01ae [0,2,0,0,0,0|2,0,0]=4 1395 B12R0.72 O=CCC(=O)NCCCS(=O)(=O)O c5a5904edbbe3ed6901339169c431c60 [0,2,0,0,0,0|0,0,0]=2 1396 B12R0.72 O=CCC(=O)NCCOS(=O)(=O)O 1d1e493971f5dbceef99810e63bf75cf [0,2,0,0,0,0|1,0,0]=3 1397 B12R0.90 C=C(CNCS(=O)(=O)O)C(=O)OC 340c9d2d702a4f924b90caad7474c3fd [0,2,0,0,0,0|2,0,0]=4 1398 B12R0.90 CC(CO)N(C)CCCS(=O)(=O)O 0d2d2a33ef4b915025411a1e4413a005 [0,2,0,0,0,0|0,0,2]=4 1399 B12R0.90 CCC(=O)C(=O)NCCS(=O)(=O)O 6a75d3881121f7d3ba0d364788822af3 [0,2,0,0,0,0|2,0,0]=4 1400 B12R0.90 CCC(=O)C(C)NCCS(=O)(=O)O 8ea27c637038a27ab734c9beb50d9882 [0,2,0,0,0,0|2,0,0]=4 1401 B12R0.90 CCC(=O)C(C)OCCS(=O)(=O)O 110c8f20b16be705faee3fdbd1290889 [0,2,0,0,0,0|2,0,0]=4 1402 B12R0.90 CCC(C)N(C)CCCS(=O)(=O)O d3073221634963a0c265c27d97796917 [0,2,0,0,0,0|1,0,1]=4 1403 B12R0.90 CNC(=O)C(=O)NCCS(=O)(=O)O 1c84cbf41d001ca3e85e7bc91ac024b0 [0,2,0,0,0,0|2,0,0]=4 1404 B12R0.90 CNC(=O)C(C)NCCS(=O)(=O)O 46cd18af81817e967ad94fddcf7fa009 [0,2,0,0,0,0|2,0,0]=4 1405 B12R0.90 CNC(=O)C(C)OCCS(=O)(=O)O 8b8a46fb9443ce5e7470be5a332b8679 [0,2,0,0,0,0|2,0,0]=4 1406 B12R0.90 CNC(=O)C(F)NCCS(=O)(=O)O 155dc8fa035d4cd69572ea14efcff9d7 [0,2,0,0,0,0|2,0,0]=4 1407 B12R0.90 COC(=O)C(=O)CNCS(=O)(=O)O 9b29a75b30fec45b926d83715d9d1714 [0,2,0,0,0,0|2,0,0]=4 1408 B12R0.90 COC(=O)C(=O)NCCS(=O)(=O)O 3056aec84d77bcee86adf8ecf988b7f1 [0,2,0,0,0,0|2,0,0]=4 1409 B12R0.90 COC(=O)C(C)CNCS(=O)(=O)O aa9f65c8fbff9ae53dca64115debedf9 [0,2,0,0,0,0|2,0,0]=4 1410 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)O 037915ae846e86f6bf25d1d65eade4c8 [0,2,0,0,0,0|2,0,0]=4 1411 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)O 1510d24730741b9ef6a56cf5e5fec873 [0,2,0,0,0,0|2,0,0]=4 1412 B12R0.90 COC(=O)C(O)CNCS(=O)(=O)O f954fa17c1eed6ad12c15af4d0ee5a8b [0,2,0,0,0,0|2,0,0]=4 1413 B12R0.90 COC(=O)[C@@H](C)CNCS(=O)(=O)O c3c4e66722c625a78afcbd246d1de942 [0,2,0,0,0,0|2,0,0]=4 1414 B12R0.90 COC(=O)[C@@H](C)NCCS(=O)(=O)O 41e37186b73a6ed3d81bf7cb5d2f0ce4 [0,2,0,0,0,0|2,0,0]=4 1415 B12R0.90 COC(=O)[C@@H](C)OCCS(=O)(=O)O 451b8dbed6544b1941beb3f0629728d8 [0,2,0,0,0,0|2,0,0]=4 1416 B12R0.90 COC(=O)[C@H](C)CNCS(=O)(=O)O 96fff2818ec37f0c08b26886f0cf3fb3 [0,2,0,0,0,0|2,0,0]=4 1417 B12R0.90 COC(=O)[C@H](C)NCCS(=O)(=O)O 8c58ebdb89e63e2d3e5aaab9237b3705 [0,2,0,0,0,0|2,0,0]=4 1418 B12R0.90 COC(=O)[C@H](C)OCCS(=O)(=O)O 74ed3253092a57654a387a3458d0662b [0,2,0,0,0,0|2,0,0]=4 1419 B12R0.90 C[C@@H](CO)N(C)CCCS(=O)(=O)O 6adf3871620edfe0ffa22dfa16c935f6 [0,2,0,0,0,0|0,0,2]=4 1420 B12R0.90 C[C@H](CO)N(C)CCCS(=O)(=O)O 7d8ff785400482283db294e9d32349b9 [0,2,0,0,0,0|0,0,2]=4 1421 B12R0.131 CCC(=O)COCCS(=O)(=O)OC ea1e4a5b30f7d0304db25294e00ccc02 [0,2,0,0,0,0|2,0,0]=4 1422 B12R0.131 CNC(=O)COCCS(=O)(=O)OC 6295c4e8007d0ac41255a474016c4719 [0,2,0,0,0,0|2,0,0]=4 1423 B12R0.131 COC(=O)COCCS(=O)(=O)OC 2bca348c6f9e77ed1a3281b598c10369 [0,2,0,0,0,0|2,0,0]=4 1424 B12R0.211 C#CC(C)(C)NCCCS(=O)(=O)O 1b11f1697c45fa2c9e76b2d1101ef61d [0,2,0,0,0,0|1,0,1]=4 1425 B12R0.211 CC(C)(C#N)NCCCS(=O)(=O)O 98525fe2d8b3791f9d61e77a84608a15 [0,2,0,0,0,0|1,0,1]=4 1426 B12R0.211 CC(C)(CF)NCCCS(=O)(=O)O 98b7c70f8327d435cf61d79e88dbb981 [0,2,0,0,0,0|1,0,1]=4 1427 B12R0.211 CC(C)(CO)NCCCS(=O)(=O)O ef49ede516f08e04906607f0059e2b3c [0,2,0,0,0,0|0,0,2]=4 1428 B12R0.211 CCC(C)(C)NCCCS(=O)(=O)O 7c2e95fe37498a6172d0c7e4baca3057 [0,2,0,0,0,0|1,0,1]=4 1429 B12R0.484 CCC(=O)CN(C)CCS(=O)(=O)O 38693809f64e1c6ba242058054cc762f [0,2,0,0,0,0|2,0,0]=4 1430 B12R0.484 CN(CCS(=O)(=O)O)CC(=O)CO 59fcc387ef88c07ef6a24e81d10fcffd [0,2,0,0,0,0|2,0,0]=4 1431 B12R0.484 CNC(=O)CN(C)CCS(=O)(=O)O 04a1c6482fd4e3f28c8ee1a9afdb5798 [0,2,0,0,0,0|2,0,0]=4 1432 B12R0.484 COC(=O)CC(C)NCS(=O)(=O)O c28bed0da6fd7902998f1084b2ead7c3 [0,2,0,0,0,0|2,0,0]=4 1433 B12R0.484 COC(=O)CN(C)CCS(=O)(=O)O d64bd65963472116ec1d58ea982eba88 [0,2,0,0,0,0|2,0,0]=4 1434 B12R0.484 COC(=O)C[C@@H](C)NCS(=O)(=O)O 69b57804aca0ab58baa4056363f87768 [0,2,0,0,0,0|2,0,0]=4 1435 B12R0.484 COC(=O)C[C@H](C)NCS(=O)(=O)O 0d1da8044899b0f81bdb0b229248848a [0,2,0,0,0,0|2,0,0]=4 1436 B12R0.484 COC(=O)OC(C)NCS(=O)(=O)O 7bb23324a449ce3e3e80e0715303dc85 [0,2,0,0,0,0|2,0,0]=4 1437 B12R0.577 C=C[C@@H](CO)NCCCS(=O)(=O)O e62ffcd14417fd38205feb5970dacb2d [0,2,0,0,0,0|1,0,1]=4 1438 B12R0.577 CCC(C=O)NCCCS(=O)(=O)C 9da76ee525461a706e0bd665366c7b54 [0,2,0,0,0,0|1,0,1]=4 1439 B12R0.577 CCC(C=O)NCCCS(=O)(=O)N 2d43e52355d5e7423a918437ece6328f [0,2,0,0,0,0|1,0,1]=4 1440 B12R0.577 CCC(C=O)NCCCS(=O)(=O)O bcb08a5f4f97916a5f01e463c0cc1dba [0,2,0,0,0,0|0,0,1]=3 1441 B12R0.577 CCC(C=O)NCCOS(=O)(=O)O c4d662f51329c6da1a3d6a6a7f5e1c60 [0,2,0,0,0,0|1,0,1]=4 1442 B12R0.577 CCC(C=O)OCCCS(=O)(=O)O 01e9503c1d16476e01965dee490114c0 [0,2,0,0,0,0|1,0,1]=4 1443 B12R0.577 CCC(CC)NCCCS(=O)(=O)O 706d96f7a97574c793cac80939b40a73 [0,2,0,0,0,0|1,0,1]=4 1444 B12R0.577 CCC(CO)NCCCS(=O)(=O)O 2b2857ee71d78de67b4c925c6ba312f1 [0,2,0,0,0,0|0,0,2]=4 1445 B12R0.577 CC[C@@H](CO)NCCCS(=O)(=O)O 9cd4cfc8a00e701e377171a0b7229670 [0,2,0,0,0,0|0,0,2]=4 1446 B12R0.577 CC[C@H](CO)NCCCS(=O)(=O)O 21bcd3074a275162def87b8c2b78916d [0,2,0,0,0,0|0,0,2]=4 1447 B12R0.577 N#CC(C=O)NCCCS(=O)(=O)O 8a3159cf9a7c1af7727dd9c7bde607d0 [0,2,0,0,0,0|0,0,2]=4 1448 B12R0.577 O=CC(C=O)NCCCS(=O)(=O)O 7464a2e1ca23b112112c8f85650abe39 [0,2,0,0,0,0|0,0,2]=4 1449 B12R0.577 O=S(=O)(O)CCCNC(CF)CF ea0d3f1c4cf575b9aa0a5e679d2b34f2 [0,2,0,0,0,0|1,0,1]=4 1450 B12R0.577 O=S(=O)(O)CCCNC(CO)CO 02d010513b795318dc4e9c627e9ee92d [0,2,0,0,0,0|0,0,2]=4 1451 B12R0.172 CCNS(=O)(=O)CCCNC(=O)C 8ffe559047fba90a8b657c7e9a7d6fc9 [0,2,0,0,0,0|1,0,0]=3 1452 B12R0.692 CC(=O)NCCCS(=O)(=O)N(C)C 894b1a3d46b1872832e21d1911617fb9 [0,2,0,0,0,0|1,0,0]=3 1453 B12R0.692 CC(=O)NCOCS(=O)(=O)N(C)C 77742082584bee0879139d352722e44e [0,2,0,0,0,0|2,0,0]=4 1454 B12R0.311 CC(=O)C(C)(C)NCCS(=O)(=O)O ed3c58c92fc66457a76e1c368006382a [0,2,0,0,0,0|2,0,0]=4 1455 B12R0.586 CCN(CCCS(=O)(=O)O)C(C)C 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CC(=O)N[C@@H]1CC[C@@H](C1)O bd5d5487a5426aee6c8b85f7d6a82f6d [1,0,0,1,0,0|2,0,0]=4 1467 B10R1.54 CC(=O)N[C@@H]1CC[C@H](C1)O e9b3bd4a14f9308205f6e539850076b4 [1,0,0,1,0,0|2,0,0]=4 1468 B10R1.54 CC(=O)N[C@H]1CC[C@@H](C1)O 9699b4c6ebe806fb645f613f502422f4 [1,0,0,1,0,0|2,0,0]=4 1469 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O aee6acb4424af3e957060a2ce53ddcc8 [1,0,0,1,0,0|2,0,0]=4 1470 B10R1.54 O=C(O)CN1CNC(=O)C1 3244148a865c381d9bea8445acb16e31 [1,0,0,1,0,0|2,0,0]=4 1471 B10R1.82 CC(=O)NCC1CC(C1)O 78e7ee147bb1a923e3c121365e7526a0 [1,0,0,1,0,0|2,0,0]=4 1472 B10R1.82 CC(=O)NC[C@H]1C[C@@H](C1)O b4db79a2f48683d34c5b0b42f3d2b966 [1,0,0,1,0,0|2,0,0]=4 1473 B10R1.82 CC(=O)NC[C@H]1C[C@H](C1)O 4c7077ff8d3b46ddd35093688b9da872 [1,0,0,1,0,0|2,0,0]=4 1474 B10R1.113 CC(=O)N1CCCC(=O)C1 99ed04f0f8f0c457aeb4f4aaf4f20d81 [1,0,0,1,0,0|2,0,0]=4 1475 B10R1.113 CC(=O)N1CCCC(C1)O ee540cedaa1a73223284cbbba0d7cd09 [1,0,0,1,0,0|2,0,0]=4 1476 B10R1.113 CC(=O)N1CCC[C@@H](C1)O 7fdf4d521b5ee53ca37891b5a4dd6495 [1,0,0,1,0,0|2,0,0]=4 1477 B10R1.113 CC(=O)N1CCC[C@H](C1)O 45f5d9af1194bdf7e75f97a0993057a0 [1,0,0,1,0,0|2,0,0]=4 1478 B10R1.361 CC(=O)N1CCC1C(=O)N fe577cab9d51ac6c84aec9d9f8bc6d43 [1,0,0,1,0,0|2,0,0]=4 1479 B10R1.361 CC(=O)N1CC[C@@H]1C(=O)N bcfc46dbb045d8e9c12ffe86b35d1126 [1,0,0,1,0,0|2,0,0]=4 1480 B10R1.361 CC(=O)N1CC[C@H]1C(=O)N f95bf15e40d454368b6c6b4be360e373 [1,0,0,1,0,0|2,0,0]=4 1481 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 443a885f34cd243e94865acbce712f9f [0,0,0,1,1,0|1,0,0]=3 1482 B12R1.119 CS(=O)(=O)CN1CCCC(=O)C1 e4453dd662eb12567922ce48a7928586 [0,0,0,1,0,1|2,0,0]=4 1483 B12R1.119 CS(=O)(=O)CN1CCNC(=O)C1 56fcf7235c74075ba53d824c62405a1d [0,0,0,1,0,1|1,0,0]=3 1484 B12R1.119 CS(=O)(=O)CN1CCOC(=O)C1 0df9f05fa25b1425c1ddfb0aa736ed0d [0,0,0,1,0,1|2,0,0]=4 1485 B12R1.119 NS(=O)(=O)CN1CCNC(=O)C1 b3df9c1d6af8ab4ba978d9f2e9c657e9 [0,0,0,1,0,1|1,0,0]=3 1486 B12R1.119 NS(=O)(=O)CN1CCOC(=O)C1 5853495613a8568aa104ed4febd0be4c [0,0,0,1,0,1|2,0,0]=4 1487 B12R1.119 O=C1CCCN(C1)CS(=O)(=O)O af3fbd2187ab9edecce83c9e3c203cee [0,0,0,1,0,1|1,0,0]=3 1488 B12R1.119 O=C1CN(CCN1)CS(=O)(=O)O c7edb12aea5452ef5cc4e65db8a19f54 [0,0,0,1,0,1|0,0,0]=2 1489 B12R1.119 O=C1CN(CCO1)CS(=O)(=O)O ffb710503235f8ce4c7d6f92efd5077b [0,0,0,1,0,1|1,0,0]=3 1490 B12R1.146 C=C1CC1COCCS(=O)(=O)O 8b52701d7abbf6faa0938f0912c3b6c0 [0,0,0,1,0,1|2,0,0]=4 1491 B12R1.146 CC1CC1NCCCS(=O)(=O)O 5beb380b36a2cc1a00d3aa99e47db5b8 [0,0,0,1,0,1|1,0,1]=4 1492 B12R1.146 O=S(=O)(O)CCCN[C@@H]1C[C@H]1F 1dcc9c521df7c027dd2a92fb565f59a6 [0,0,0,1,0,1|1,0,1]=4 1493 B12R1.146 O=S(=O)(O)CCCN[C@H]1C[C@@H]1F 7d547ff24119d38301c1172cab0c94fa [0,0,0,1,0,1|1,0,1]=4 1494 B12R1.146 O=S(=O)(O)CCCN[C@H]1C[C@H]1F 9285293b137a54f5734eaec69d48501e [0,0,0,1,0,1|1,0,1]=4 1495 B12R1.219 C=C1CC(C1)CNCS(=O)(=O)O 28c762d76eca8d0fecff83b4947b9e7d [0,0,0,1,0,1|2,0,0]=4 1496 B12R1.219 CS(=O)(=O)CCNC1CC(=O)C1 2c028bf6ad7ee94c1e4191a6086e2111 [0,0,0,1,0,1|2,0,0]=4 1497 B12R1.219 CS(=O)(=O)COCC1CC(=O)C1 61c9bca6a09ab2dd3ae7a891a54e2856 [0,0,0,1,0,1|2,0,0]=4 1498 B12R1.219 CS(=O)(=O)COCC1CC(=O)N1 8ff2246e53690d6bf3585b03c2843b2e [0,0,0,1,0,1|1,0,0]=3 1499 B12R1.219 CS(=O)(=O)COC[C@@H]1CC(=O)N1 e80bc670467f47c0b403205301bb2b03 [0,0,0,1,0,1|1,0,0]=3 1500 B12R1.219 CS(=O)(=O)COC[C@H]1CC(=O)N1 c183134de4e69335a6ac868221c789e6 [0,0,0,1,0,1|1,0,0]=3 1501 B12R1.219 O=C1CC(C1)CNCS(=O)(=O)O 3704af2dc6514a22e9249142d33bd7d0 [0,0,0,1,0,1|1,0,0]=3 1502 B12R1.219 O=C1CC(C1)NCCS(=O)(=O)O 297a52877f68d146b878a7983e0f19b2 [0,0,0,1,0,1|1,0,0]=3 1503 B12R1.219 O=C1CC(N1)CNCS(=O)(=O)O 0dc8f57281619535f7ebfa19247bba58 [0,0,0,1,0,1|0,0,0]=2 1504 B12R1.219 O=C1CC(O1)CNCS(=O)(=O)O eb63068b271a32eabe83bc346d57deb8 [0,0,0,1,0,1|1,0,0]=3 1505 B12R1.219 O=S(=O)(O)CCCN1CC(C1)F d721bbb646328ebd3ceb50e298044f1b [0,0,0,1,0,1|1,0,1]=4 1506 B12R1.219 O=S(=O)(O)CCCN1CC(C1)O 6c7695433839753aeb22466b65a674aa [0,0,0,1,0,1|0,0,2]=4 1507 B12R1.547 O=S(=O)(O)CCCCNC1CC1 24abf9e38f33a8ec46c42b648d7ca972 [0,0,0,1,0,1|1,0,1]=4 1508 B12R1.547 O=S(=O)(O)CCCNCC1CC1 174239928982c230f262efa0ca24bc69 [0,0,0,1,0,1|1,0,1]=4 1509 B12R1.836 CS(=O)(=O)CCN1CNC(=O)C1 94f8474ed0d81ee5f3f66276ce52f3ff [0,0,0,1,0,1|1,0,0]=3 1510 B12R1.836 CS(=O)(=O)CNC1CNC(=O)C1 6eccba579f8724e821bceda4403ad827 [0,0,0,1,0,1|1,0,0]=3 1511 B12R1.836 CS(=O)(=O)CN[C@@H]1CNC(=O)C1 d149887a7d6897a34a79c1399ea4eaf8 [0,0,0,1,0,1|1,0,0]=3 1512 B12R1.836 CS(=O)(=O)CN[C@H]1CNC(=O)C1 82431a0fc636fbbe6d565745aaf9d15b [0,0,0,1,0,1|1,0,0]=3 1513 B12R1.836 CS(=O)(=O)COC1CCC(=O)C1 e377472cfa2921594cfdbd8d5b5fe6ac [0,0,0,1,0,1|2,0,0]=4 1514 B12R1.836 CS(=O)(=O)COC1CNC(=O)C1 cf4ea59675967dfd583d16f55e252c97 [0,0,0,1,0,1|1,0,0]=3 1515 B12R1.836 CS(=O)(=O)COC1COC(=O)C1 2962084752c00cd4c4b609b71a4c7ba0 [0,0,0,1,0,1|2,0,0]=4 1516 B12R1.836 CS(=O)(=O)CO[C@@H]1CNC(=O)C1 01b51314ac276da34d6a4afa52b00ee9 [0,0,0,1,0,1|1,0,0]=3 1517 B12R1.836 CS(=O)(=O)CO[C@@H]1COC(=O)C1 561d6a9601d441a5a9d058ab3f307054 [0,0,0,1,0,1|2,0,0]=4 1518 B12R1.836 CS(=O)(=O)CO[C@H]1CNC(=O)C1 9494543d3ed9a753f3fdfe3ab7e343ef [0,0,0,1,0,1|1,0,0]=3 1519 B12R1.836 CS(=O)(=O)CO[C@H]1COC(=O)C1 9d73bffc15c8095daa82649d072360a8 [0,0,0,1,0,1|2,0,0]=4 1520 B12R1.836 NS(=O)(=O)CNC1CNC(=O)C1 600f4209ab24f479f4f959968eacc492 [0,0,0,1,0,1|1,0,0]=3 1521 B12R1.836 NS(=O)(=O)CN[C@@H]1CNC(=O)C1 353615de37d8281b612585a8f9dfa5e6 [0,0,0,1,0,1|1,0,0]=3 1522 B12R1.836 NS(=O)(=O)CN[C@H]1CNC(=O)C1 9a7593296306a15ba809578120c2fd5e [0,0,0,1,0,1|1,0,0]=3 1523 B12R1.836 O=C1CC(CN1)NCS(=O)(=O)O af2a148f7ad5cee93163d87bfdbb0458 [0,0,0,1,0,1|0,0,0]=2 1524 B12R1.836 O=C1CN(CN1)CCS(=O)(=O)O 87c5d3a1b8b2f9d63ba2fe44d0c59704 [0,0,0,1,0,1|0,0,0]=2 1525 B12R1.836 O=C1CN(CN1)COS(=O)(=O)Cl 4aa3f8b93ed870c94542c4b331754c00 [0,0,0,1,0,1|2,0,0]=4 1526 B12R1.836 O=C1C[C@@H](CN1)NCS(=O)(=O)O a26c0c26190be6153a6e4a351ba38020 [0,0,0,1,0,1|0,0,0]=2 1527 B12R1.836 O=C1C[C@H](CN1)NCS(=O)(=O)O 076b62c718df3df9af9b7980dbcb40fd [0,0,0,1,0,1|0,0,0]=2 1528 B12R1.1332 O=C(O)[C@@H]1C[C@@H]1NCS(=O)(=O)O 30d457fe50807d318a7a28f958ad78ae [0,0,0,1,0,1|2,0,0]=4 1529 B12R1.1332 O=C(O)[C@H]1C[C@@H]1NCS(=O)(=O)O e9bfb929a0b9ba9edb396ec801d57532 [0,0,0,1,0,1|2,0,0]=4 1530 B12R1.1332 O=C(O)[C@H]1C[C@H]1NCS(=O)(=O)O 23aba8bb67b7ebe8e1af9015c8bf6f76 [0,0,0,1,0,1|2,0,0]=4 1531 B12R1.1378 NC(=O)C1CCN1CS(=O)(=O)O 8bf0499bc44668b0e9c8acf6423e730f [0,0,0,1,0,1|2,0,0]=4 1532 B12R1.1378 NC(=O)[C@@H]1CCN1CS(=O)(=O)O 14da7e01d146d541ecac863f8f71c8e2 [0,0,0,1,0,1|2,0,0]=4 1533 B12R1.1378 NC(=O)[C@H]1CCN1CS(=O)(=O)O 733617319a4f0de96a55245c467a7320 [0,0,0,1,0,1|2,0,0]=4 1534 B12R1.1378 O=C(O)C1CCN1CS(=O)(=O)O 14f3907408241e0013084fee38383d89 [0,0,0,1,0,1|2,0,0]=4 1535 B12R1.1378 O=C(O)[C@@H]1CCN1CS(=O)(=O)O 8ea0e44d1ef5409ac013654f4b6076d6 [0,0,0,1,0,1|2,0,0]=4 1536 B12R1.1378 O=C(O)[C@H]1CCN1CS(=O)(=O)O 6e8fb3a1cb6d9a317fa8dd2c28d9fbf4 [0,0,0,1,0,1|2,0,0]=4 1537 B12R1.1806 C=C(C)CNC1CCS(=O)(=O)C1 d8f9554492cc90246443c739c338cd7c [0,0,0,1,0,1|2,0,0]=4 1538 B12R1.1806 CC(=O)CNC1CCS(=O)(=O)C1 927bee7fea67c06719506e3ba85bdd1a [0,0,0,1,0,1|1,0,0]=3 1539 B12R1.1806 CC(=O)COC1CCS(=O)(=O)C1 18187df428916981c8fac84f6508454a [0,0,0,1,0,1|2,0,0]=4 1540 B12R1.1806 CC(=O)NCC1CCS(=O)(=O)C1 3247fbf87bb204672f2d64f3947026fa [0,0,0,1,0,1|1,0,0]=3 1541 B12R1.1806 NC(=O)CNC1CCS(=O)(=O)C1 6af24188544d777eca1ffcf30a9a6241 [0,0,0,1,0,1|2,0,0]=4 1542 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 a2b006afa19b2a4198cf1ab855a99af2 [0,0,0,1,0,1|2,0,0]=4 1543 B12R1.1810 C=C(C)CNCC1CS(=O)(=O)C1 d0734f67a5a12d1753cc5fe4cfc271ef [0,0,0,1,0,1|2,0,0]=4 1544 B12R1.1810 CC(=O)CCNC1CS(=O)(=O)C1 3eb4021588e3e56aefaf0155856c8d36 [0,0,0,1,0,1|2,0,0]=4 1545 B12R1.1810 CC(=O)CCOC1CS(=O)(=O)C1 7b8728ff704c060436788e6b7d2bb970 [0,0,0,1,0,1|2,0,0]=4 1546 B12R1.1810 CC(=O)CNCC1CS(=O)(=O)C1 506d8af3ccd34ea0a760beccd8d5959b [0,0,0,1,0,1|1,0,0]=3 1547 B12R1.1810 CC(=O)COCC1CS(=O)(=O)C1 f10ec5808fe11f04ab63063e0149dc7f [0,0,0,1,0,1|2,0,0]=4 1548 B12R1.1810 CC(=O)NCOC1CS(=O)(=O)C1 ae174aa0b96c372e3df1527225241fc6 [0,0,0,1,0,1|1,0,0]=3 1549 B12R1.1810 CC(=O)OCNC1CS(=O)(=O)C1 f03124bb28ebca8701e4e9324e27da88 [0,0,0,1,0,1|2,0,0]=4 1550 B12R1.1810 CC(=O)OCOC1CS(=O)(=O)C1 3c69144c55140b9822ae7bc43c90d11a [0,0,0,1,0,1|2,0,0]=4 1551 B12R1.1810 NC(=O)CNCC1CS(=O)(=O)C1 1cd5adc051f00335bdb1628940572144 [0,0,0,1,0,1|2,0,0]=4 1552 B12R1.1810 O=C(O)CNCC1CS(=O)(=O)C1 91fda30e941ecee6069540fe5edaea8d [0,0,0,1,0,1|2,0,0]=4 1553 B12R1.1821 CC(=O)NC1CCCS(=O)(=O)C1 825389553a2533abc6f991d11c08ad50 [0,0,0,1,0,1|1,0,0]=3 1554 B12R1.1821 CC(=O)N[C@@H]1CCCS(=O)(=O)C1 f4803bef500c1760d30d337da926a37f [0,0,0,1,0,1|1,0,0]=3 1555 B12R1.1821 CC(=O)N[C@H]1CCCS(=O)(=O)C1 b8d45bdae6683cfac1fe358a8b2e93cb [0,0,0,1,0,1|1,0,0]=3 1556 B12R1.2813 CC1(CN1CCCS(=O)(=O)O)C 701dd26ce26e6dddff194ada5377fa25 [0,0,0,1,0,1|1,0,1]=4 1557 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1Cl 7f6cc848e2cf8e2f9222e2d49c3738ac [0,1,0,1,0,0|1,0,0]=3 1558 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1O cdaa4087b9f13acc7ec3b686b6f81b7f [0,1,0,1,0,0|1,0,0]=3 1559 B12R1.844 CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 58f3040a4de75365eb9a4e8924b29c5b [0,1,0,1,0,0|1,0,0]=3 1560 B12R1.844 CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O 875053dc21a127347ff52e49aad223e9 [0,1,0,1,0,0|1,0,0]=3 1561 B12R1.1381 CC(=O)N1CC(C1)NS(=O)(=O)C 225b165a1e6b4167eb6a1a67581e72e1 [0,1,0,1,0,0|2,0,0]=4 1562 B12R1.254 CC(=O)N1CCC(C1)S(=O)(=O)C db5dccb50b97baeb438bc95277e62724 [0,1,0,1,0,0|1,0,0]=3 1563 B12R1.254 CC(=O)N1CCC(C1)S(=O)(=O)N f6973d79b4671a32bd801f77622a7573 [0,1,0,1,0,0|1,0,0]=3 1564 B12R1.254 CC(=O)N1CC[C@@H](C1)S(=O)(=O)C da30f8bf5848f7b7d448a1ec6fd8a4a7 [0,1,0,1,0,0|1,0,0]=3 1565 B12R1.254 CC(=O)N1CC[C@@H](C1)S(=O)(=O)N 0cbda2ce093d7f9c62a2d3fd754954c5 [0,1,0,1,0,0|1,0,0]=3 1566 B12R1.254 CC(=O)N1CC[C@H](C1)S(=O)(=O)C dccba843dc4b5285cfd21641a1fcb166 [0,1,0,1,0,0|1,0,0]=3 1567 B12R1.254 CC(=O)N1CC[C@H](C1)S(=O)(=O)N ac2391b8dcf413356243dea2b82d1232 [0,1,0,1,0,0|1,0,0]=3 1568 B12R1.1393 CC(=O)NC1CN(C1)S(=O)(=O)C e3dbed5f98767824ced8ca87a38148df [0,1,0,1,0,0|2,0,0]=4 1569 B12R1.207 O=C1CCC1NCCS(=O)(=O)O bcf516c10ef20616a4f8f1ad522a4ba4 [0,1,0,1,0,0|2,0,0]=4 1570 B12R1.207 O=C1CCC1OCCS(=O)(=O)O a3eb59fe8b9b45f7daecaea90e99e019 [0,1,0,1,0,0|2,0,0]=4 1571 B12R1.207 O=C1NC[C@@H]1NCCS(=O)(=O)O c1a0592ddea3ef1a02a831e346a8728b [0,1,0,1,0,0|2,0,0]=4 1572 B12R1.207 O=C1OCC1CNCS(=O)(=O)O c883c0c2f7f743f5846c7b1953bbfe40 [0,1,0,1,0,0|2,0,0]=4 1573 B12R1.546 O=S(=O)(O)CCCNC1CCC1 0e253c8d15e7a32ab2e1a2350bc144ba [0,1,0,1,0,0|1,0,1]=4 1574 B12R1.546 O=S(=O)(O)CCCNC1COC1 95ecdba4803f11e994856c47a5b6e91a [0,1,0,1,0,0|0,0,2]=4 1575 B12R1.1655 COC(=O)C1CN1CS(=O)(=O)O 3b73e19c537979c7b9f9d3dcd98f48d3 [0,1,0,1,0,0|2,0,0]=4 1576 B12R1.1655 COC(=O)[C@@H]1CN1CS(=O)(=O)O 1486b252cffb6a9d7c27d131954daabd [0,1,0,1,0,0|2,0,0]=4 1577 B12R1.1673 C#CC(=O)NC1CCS(=O)(=O)C1 5f3561e7b6d9389e5879d6b3abd983a8 [0,1,0,1,0,0|1,0,1]=4 1578 B12R1.1673 C=CC(=O)NC1CCS(=O)(=O)C1 61ddaa62f2fa7ba85e6b0084a1d96a3a [0,1,0,1,0,0|1,0,1]=4 1579 B12R1.1673 CC(C=O)NC1CCS(=O)(=O)C1 0d5f1b767bb04585f6071fd30321cad9 [0,1,0,1,0,0|1,0,1]=4 1580 B12R1.1673 CCC(=O)NC1CCS(=O)(=O)C1 1d185f52ca3c14d1e5bcca3621d970e5 [0,1,0,1,0,0|1,0,0]=3 1581 B12R1.1673 C[C@H](C=O)NC1CCS(=O)(=O)C1 0f3d13f4d25b749b059b50b6bba3613b [0,1,0,1,0,0|1,0,1]=4 1582 B12R1.1673 O=C(CF)NC1CCS(=O)(=O)C1 ab43aca637cc9f5e0602106130b3b175 [0,1,0,1,0,0|1,0,0]=3 1583 B12R1.1673 O=C(CO)NC1CCS(=O)(=O)C1 458a5e1aa49871f508e278b32510ecfd [0,1,0,1,0,0|1,0,0]=3 1584 B12R1.1673 O=CC(=O)NC1CCS(=O)(=O)C1 688452f6eb548fb250e0ea2ab1587c59 [0,1,0,1,0,0|1,0,1]=4 1585 B12R1.1679 C#CC(=O)NCC1CS(=O)(=O)C1 f3c1884b618ee2d7d2a27b8633f57d8b [0,1,0,1,0,0|1,0,1]=4 1586 B12R1.1679 C=CC(=O)NCC1CS(=O)(=O)C1 a5a4096f841ba82a8bee19e01e53d83f [0,1,0,1,0,0|1,0,1]=4 1587 B12R1.1679 CC(C=O)NCC1CS(=O)(=O)C1 bd67e02081c1aa91984ddbebe62bc06f [0,1,0,1,0,0|1,0,1]=4 1588 B12R1.1679 CCC(=O)NCC1CS(=O)(=O)C1 56ec89f336e736bb675a4014b81a8dea [0,1,0,1,0,0|1,0,0]=3 1589 B12R1.1679 C[C@H](C=O)NCC1CS(=O)(=O)C1 b2d2e919ac912a890fe5f6ddb4861101 [0,1,0,1,0,0|1,0,1]=4 1590 B12R1.1679 O=C(CF)NCC1CS(=O)(=O)C1 08f097629455f1750ef050edf4669835 [0,1,0,1,0,0|1,0,0]=3 1591 B12R1.1679 O=C(CO)NCC1CS(=O)(=O)C1 41b29f6e60bf5c685cbbe47c43dcd86b [0,1,0,1,0,0|1,0,0]=3 1592 B12R1.1679 O=C(CS)NCC1CS(=O)(=O)C1 46160c6da55368edab5eff9d22b6f6dd [0,1,0,1,0,0|1,0,0]=3 1593 B12R1.1679 O=CC(=O)NCC1CS(=O)(=O)C1 3f5983f858eb2a52f25cdc92e566d762 [0,1,0,1,0,0|1,0,1]=4 1594 B12R1.2815 CC1(CC1)NCCCS(=O)(=O)O d5930e07104c173b05a0e46e9cc02f7f [0,1,0,1,0,0|1,0,1]=4 1595 B12R1.193 CCS(=O)(=O)CN1CNC(=O)C1 1eed0a9cfab67bf15ec974e2ecb0a056 [0,1,0,1,0,0|2,0,0]=4 1596 B12R1.193 CNS(=O)(=O)CN1CNC(=O)C1 42fb072923f70c4038f8456197f72f25 [0,1,0,1,0,0|2,0,0]=4 1597 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 24bf0155d3e7256df7d0bb2ecabbb38d [0,1,0,1,0,0|1,0,0]=3 1598 B12R1.3092 CC(=O)N1CCCS(=O)(=O)CC1 d3e702727a767b74ecc4c9c4f1ae49c5 [0,1,0,1,0,0|1,0,0]=3 1599 B12R1.3092 CC(=O)N1CCNS(=O)(=O)CC1 f89b695cff121f3209985f893a039e17 [0,1,0,1,0,0|2,0,0]=4 1600 B12R1.2203 CC(=O)N(C)C1CCS(=O)(=O)C1 9fcd47b70ca1dfb38a15069517df33e0 [0,1,0,1,0,0|1,0,0]=3 1601 B12R1.3183 CN(CCCS(=O)(=O)O)C1CC1 8276564a7335bf630b0b1ebf278352a1 [0,1,0,1,0,0|1,0,1]=4 1602 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [1,0,0,0,1,0|2,0,0]=4 1603 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [1,0,0,0,1,0|2,0,0]=4 1604 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [1,0,0,0,1,0|2,0,0]=4 1605 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [1,0,0,0,1,0|2,0,0]=4 1606 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [1,0,0,0,1,0|1,0,1]=4 1607 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [1,0,0,0,1,0|0,0,1]=3 1608 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [1,0,0,0,1,0|2,0,0]=4 1609 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [1,0,0,0,1,0|2,0,0]=4 1610 B8R0.29 CC(=O)NCS(=O)(=O)O 1a40c2cf0952690abb086f32b64116de [0,0,0,0,2,0|0,0,0]=2 1611 B8R0.29 CC(C)NCS(=O)(=O)O 8264390a638eb5c172e1c9c505e3993b [0,0,0,0,2,0|1,0,1]=4 1612 B10R0.97 C=C(C)CNCCCC(=O)O 4a71b47e20ac7cb8bf4e581982179c69 [1,0,0,0,0,1|2,0,0]=4 1613 B10R0.97 CC(=O)CCCNCC(=O)C a409933801cd759c569fa08c611af33e [1,0,0,0,0,1|2,0,0]=4 1614 B10R0.97 CC(=O)CCCNCC(=O)O 918b6ee5a87e78cab8f9c47454468e74 [1,0,0,0,0,1|2,0,0]=4 1615 B10R0.97 CC(=O)CCCOCC(=O)O 8a4a403788cd63620217d0d24efac923 [1,0,0,0,0,1|2,0,0]=4 1616 B10R0.97 CC(=O)CCCOCS(=O)O d4c1ba7042320e4d2ff241d263c1e8df [1,0,0,0,0,1|1,0,1]=4 1617 B10R0.97 CC(=O)CCNCCC(=O)O f6404f16113724251676710b77e6f73f [1,0,0,0,0,1|2,0,0]=4 1618 B10R0.97 CC(=O)CCNCCS(=O)O 2a215cadaa85dc727e15ec7c4ce705bc [1,0,0,0,0,1|1,0,1]=4 1619 B10R0.97 CC(=O)CCOCCC(=O)O 620c3207fd5e54c297c9fe5455b7b9e5 [1,0,0,0,0,1|2,0,0]=4 1620 B10R0.97 CC(=O)CCOCNC(=O)C 1350c289650a2f1c96c5d7b10fe61adf [1,0,0,0,0,1|2,0,0]=4 1621 B10R0.97 CC(=O)CNCCCC(=O)N 7b33f06e9bec02ba46bd1e82bf7225db [1,0,0,0,0,1|2,0,0]=4 1622 B10R0.97 CC(=O)CNCCCC(C)O 5bed14fc9c7a9f12933f39db4b26ee7c [1,0,0,0,0,1|2,0,0]=4 1623 B10R0.97 CC(=O)CNCCC[N+](=O)[O-] c8bdc874a69897e7a12e783a085e0342 [1,0,0,0,0,1|1,0,1]=4 1624 B10R0.97 CC(=O)CNCCNC(=O)C 761d34b344e8cb20b7c79267a98ae1a6 [1,0,0,0,0,1|2,0,0]=4 1625 B10R0.97 CC(=O)COCCNC(=O)C 8f6bb90c4a52be17d5cf0399e7a727b7 [1,0,0,0,0,1|2,0,0]=4 1626 B10R0.97 CC(=O)NCCCCC(=O)N f0b49d5713f49cbe84c3014215dd812a [1,0,0,0,0,1|2,0,0]=4 1627 B10R0.97 CC(=O)NCCCNC(=O)C 96a47162803e6bf81b4b779a9aa41d2d [1,0,0,0,0,1|2,0,0]=4 1628 B10R0.97 CC(=O)NCCNCC(=O)N b4be99dd26c1e47b000c7ed1b808b93c [1,0,0,0,0,1|2,0,0]=4 1629 B10R0.97 CC(=O)NCCNCC(=O)O 6e5d75202d0baca9a5055b6bdbaf0499 [1,0,0,0,0,1|1,0,0]=3 1630 B10R0.97 CC(=O)NCCNCC(C)O e0b0f96f57ddef57000edc60bbb05d8f [1,0,0,0,0,1|2,0,0]=4 1631 B10R0.97 CC(=O)NCCNC[C@@H](C)O d0118e6c763eb5fd5e09f450be2b8923 [1,0,0,0,0,1|2,0,0]=4 1632 B10R0.97 CC(=O)NCCNC[C@H](C)O 3e10258e9ca6e8d5695f6de9533f01b6 [1,0,0,0,0,1|2,0,0]=4 1633 B10R0.97 CC(=O)NCCNC[N+](=O)[O-] d30827bbb8c75f281d9d54a3c3898053 [1,0,0,0,0,1|1,0,1]=4 1634 B10R0.97 CC(=O)NCCOCC(=O)N 39dcc1749489c77be1c28d5f8a76aee8 [1,0,0,0,0,1|2,0,0]=4 1635 B10R0.97 CC(=O)NCCOCC(=O)O e8f4fcda0abddeb81c1abe4d71b3d705 [1,0,0,0,0,1|1,0,0]=3 1636 B10R0.97 CC(=O)NCCOCS(=O)O 1be65f119bae19bdef5e09c0e9756d40 [1,0,0,0,0,1|0,0,1]=3 1637 B10R0.97 CC(=O)NCCOC[N+](=O)[O-] 5b28c54e24b04c5ea108d265c6486104 [1,0,0,0,0,1|1,0,1]=4 1638 B10R0.97 CC(=O)NCOCCC(=O)N 2b5d599ebf5d9480764a5965cc60580c [1,0,0,0,0,1|2,0,0]=4 1639 B10R0.97 CC(=O)NCOCCC(=O)O 1956da499b74a783ec3c32e1a5e7dffd [1,0,0,0,0,1|1,0,0]=3 1640 B10R0.97 CC(=O)NCOCCS(=O)C 30fcc48afa702d2cc9d49dff41b3e63b [1,0,0,0,0,1|1,0,1]=4 1641 B10R0.97 CC(=O)OCCNCC(=O)O d6fbe71143d070c0a82dcc5aa20dd457 [1,0,0,0,0,1|2,0,0]=4 1642 B10R0.97 CC(=O)OCCOCC(=O)O d6af6ce9f695ce8f47b94a48098e7d01 [1,0,0,0,0,1|2,0,0]=4 1643 B10R0.97 CC(=O)OCCOCS(=O)O de1573ed3ece6bb7a5c57c57b177876b [1,0,0,0,0,1|1,0,1]=4 1644 B10R0.97 CC(=O)OCNCCC(=O)O 73164cae61b692d1f9e97ba3d7b6aa53 [1,0,0,0,0,1|2,0,0]=4 1645 B10R0.97 CC(=O)OCNCCS(=O)O d1284516517308cc2bd7a9ee591791a3 [1,0,0,0,0,1|1,0,1]=4 1646 B10R0.97 CC(=O)OCOCCC(=O)O 5103d3f534841104db3f7f2246da652b [1,0,0,0,0,1|2,0,0]=4 1647 B10R0.97 CC(=O)SCCNCC(=O)O c6b51fb02ef5c70b7b5e73f902d572bd [1,0,0,0,0,1|2,0,0]=4 1648 B10R0.97 CC(=O)SCCOCC(=O)O d9d32a5bc21181df72f7cd4764b4a484 [1,0,0,0,0,1|2,0,0]=4 1649 B10R0.97 CC(=O)SCCOCS(=O)O 13297a5680ad134db709569fac98c527 [1,0,0,0,0,1|1,0,1]=4 1650 B10R0.97 NC(=O)CNCCCC(=O)O ede9e5c830fd5b952593217e06e3fc67 [1,0,0,0,0,1|2,0,0]=4 1651 B10R0.97 NC(=O)NCCNCC(=O)O 35874a04eb02e15ac229d213558edba0 [1,0,0,0,0,1|2,0,0]=4 1652 B10R0.97 NC(=O)NCCOCC(=O)O 8b6b05ba7c5a021621aa0df306491837 [1,0,0,0,0,1|2,0,0]=4 1653 B10R0.97 NC(=O)NCCOCS(=O)O 7f82fa774d8860c90efbb403487523d9 [1,0,0,0,0,1|1,0,1]=4 1654 B10R0.97 NC(=O)NCOCCC(=O)O 79ea05021a41e8560223d707fc73684f [1,0,0,0,0,1|2,0,0]=4 1655 B10R0.97 O=C(O)CCCNCC(=O)O c1fb1d26f4369b6b15840f4bd05aad4a [1,0,0,0,0,1|2,0,0]=4 1656 B12R0.137 C/C(=C/CNCCCS(=O)(=O)C)/I a9074409ae0c5ae988998e944136d2d9 [0,0,0,0,0,2|2,0,0]=4 1657 B12R0.137 C/C(=C/CNCCCS(=O)(=O)N)/I f61a68049d48ab0a637653f4e4631693 [0,0,0,0,0,2|2,0,0]=4 1658 B12R0.137 C/C(=C/CNCCCS(=O)(=O)O)/I 8b098482a1d033a0d2f18a788ccb2719 [0,0,0,0,0,2|1,0,0]=3 1659 B12R0.137 C/C(=C/CNCCOS(=O)(=O)O)/I a993df871729d8b6fa773e4670039da6 [0,0,0,0,0,2|2,0,0]=4 1660 B12R0.137 C/C(=C/COCCCS(=O)(=O)O)/Cl f515cf115fa283b65768ebccf2d11b9c [0,0,0,0,0,2|2,0,0]=4 1661 B12R0.137 C/C(=C/COCCCS(=O)(=O)O)/I 962ee76d5530548a4e660915520ef8f0 [0,0,0,0,0,2|2,0,0]=4 1662 B12R0.137 C/C(=C\CNCCCS(=O)(=O)C)/Cl 0eb9b2782753c9e995402ae8c22c9ddc [0,0,0,0,0,2|2,0,0]=4 1663 B12R0.137 C/C(=C\CNCCCS(=O)(=O)N)/Cl 02127153bc3fdf8ae32ea6ef1ea7d917 [0,0,0,0,0,2|2,0,0]=4 1664 B12R0.137 C/C(=C\CNCCCS(=O)(=O)O)/Cl 3c0dac97d3158fcee61b5f2bdd7699ed [0,0,0,0,0,2|1,0,0]=3 1665 B12R0.137 C/C(=C\CNCCOS(=O)(=O)O)/Cl 50d122dcebe5e2bd4d7634939b5530ac [0,0,0,0,0,2|2,0,0]=4 1666 B12R0.137 C/C(=C\COCCCS(=O)(=O)O)/Cl 616af2fe6a108e5c037acb76e966bd8a [0,0,0,0,0,2|2,0,0]=4 1667 B12R0.137 C=C(Br)CNCCCCS(=O)(=O)O d498e18e0d8137b395b4b243a19772cf [0,0,0,0,0,2|1,0,1]=4 1668 B12R0.137 C=C(C)CCCNCCS(=O)(=O)O 66f4b639b419382c7ed78f1203c9718c [0,0,0,0,0,2|2,0,0]=4 1669 B12R0.137 C=C(C)CCCOCCS(=O)(=O)O d999f27c435d9843c65c6780301295cc [0,0,0,0,0,2|2,0,0]=4 1670 B12R0.137 C=C(C)CCNCCCS(=O)(=O)C e71bc3d30e41281480e0c5ad251122ae [0,0,0,0,0,2|2,0,0]=4 1671 B12R0.137 C=C(C)CCNCCCS(=O)(=O)N a069af4c180b2e71509f04754fb3096e [0,0,0,0,0,2|2,0,0]=4 1672 B12R0.137 C=C(C)CCNCCCS(=O)(=O)O 6c4011dc7d74435e3167e993d202448b [0,0,0,0,0,2|1,0,0]=3 1673 B12R0.137 C=C(C)CCNCCOS(=O)(=O)O b40b4adf8a199842dda4df290542c054 [0,0,0,0,0,2|2,0,0]=4 1674 B12R0.137 C=C(C)CCOCCCS(=O)(=O)O f1262a07650831a46dbb12eb9af61883 [0,0,0,0,0,2|2,0,0]=4 1675 B12R0.137 C=C(C)CNCCCCS(=O)(=O)C 4d78598b24dd6a0cf7fa85721ca5b8c8 [0,0,0,0,0,2|2,0,0]=4 1676 B12R0.137 C=C(C)CNCCCCS(=O)(=O)O 87682520cd7774d2f1b8f16cdd46dc2a [0,0,0,0,0,2|1,0,0]=3 1677 B12R0.137 C=C(C)CNCCCNS(=O)(=O)C 09b3d092f8559b366d5434c0c10a1853 [0,0,0,0,0,2|2,0,0]=4 1678 B12R0.137 C=C(C)CNCCCNS(=O)(=O)Cl 619805b81836ddbfc3cc106cf26cc401 [0,0,0,0,0,2|2,0,0]=4 1679 B12R0.137 C=C(C)COCCCCS(=O)(=O)O 346ecc2f6df8925d9d54ff7b7608586c [0,0,0,0,0,2|2,0,0]=4 1680 B12R0.137 C=C(C)COCCCNS(=O)(=O)O 2fb6c12fee584d3194d01b107bb8d02b [0,0,0,0,0,2|2,0,0]=4 1681 B12R0.137 C=C(C)COCCOCS(=O)(=O)O 0f512375069ad3727777f9bec46c5f96 [0,0,0,0,0,2|2,0,0]=4 1682 B12R0.137 CC(=C=CCCOCS(=O)(=O)O)C 0b814dae8e50f68e27572bc69972bafc [0,0,0,0,0,2|2,0,0]=4 1683 B12R0.137 CC(=CCCNCCS(=O)(=O)O)C e4c4e7014db985c21a540b63c7036ab2 [0,0,0,0,0,2|2,0,0]=4 1684 B12R0.137 CC(=CCCOCCS(=O)(=O)O)C 5ae4379d64845fefe19fa0ab3876e5cd [0,0,0,0,0,2|2,0,0]=4 1685 B12R0.137 CC(=CCNCCCS(=O)(=O)C)C 63841d5cd51a3516d93f89309dc5686c [0,0,0,0,0,2|2,0,0]=4 1686 B12R0.137 CC(=CCNCCCS(=O)(=O)C)Cl 6bbdc013dff272e073b95136d57f4ed8 [0,0,0,0,0,2|2,0,0]=4 1687 B12R0.137 CC(=CCNCCCS(=O)(=O)C)I 8bed937ae69bb1a437c376a1707fc6b2 [0,0,0,0,0,2|2,0,0]=4 1688 B12R0.137 CC(=CCNCCCS(=O)(=O)N)C f932fffaa1c7c02768dbf025f0ce1149 [0,0,0,0,0,2|2,0,0]=4 1689 B12R0.137 CC(=CCNCCCS(=O)(=O)N)Cl d9c16217faea5fa91d2acb83d858d42f [0,0,0,0,0,2|2,0,0]=4 1690 B12R0.137 CC(=CCNCCCS(=O)(=O)N)I e089d6189ebe0140f830bd77e1202eb4 [0,0,0,0,0,2|2,0,0]=4 1691 B12R0.137 CC(=CCNCCCS(=O)(=O)O)C 763ded23283eacaee64c6bfc65c47df4 [0,0,0,0,0,2|1,0,0]=3 1692 B12R0.137 CC(=CCNCCCS(=O)(=O)O)Cl 51f2ccb076743bac498d3dd95ba9e525 [0,0,0,0,0,2|1,0,0]=3 1693 B12R0.137 CC(=CCNCCCS(=O)(=O)O)I e52b56a4514e03ffbfbba8546bd4649d [0,0,0,0,0,2|1,0,0]=3 1694 B12R0.137 CC(=CCNCCOS(=O)(=O)O)C b80389114dc6a721b46ba067ae7386fd [0,0,0,0,0,2|2,0,0]=4 1695 B12R0.137 CC(=CCNCCOS(=O)(=O)O)Cl 1dfc6e44d68ec9e502367dff4a3b09e0 [0,0,0,0,0,2|2,0,0]=4 1696 B12R0.137 CC(=CCNCCOS(=O)(=O)O)I 815fea90e7455f5d9df927be4672dc1e [0,0,0,0,0,2|2,0,0]=4 1697 B12R0.137 CC(=CCOCCCS(=O)(=O)O)C a11d2a20f90d478e9b83fdd0a30557da [0,0,0,0,0,2|2,0,0]=4 1698 B12R0.137 CC(=CCOCCCS(=O)(=O)O)Cl 0403f6a136adbbdb82a6214d83d931ca [0,0,0,0,0,2|2,0,0]=4 1699 B12R0.137 CC(=CCOCCCS(=O)(=O)O)I 9c4bdc004249fe675c473177ec90a737 [0,0,0,0,0,2|2,0,0]=4 1700 B12R0.137 CC(=O)CCCCNCS(=O)(=O)O 623505e3a395dc12eeb0ab03813c8981 [0,0,0,0,0,2|1,0,0]=3 1701 B12R0.137 CC(=O)CCCCOCS(=O)(=O)C 10306ea86633f00bb25fb1e6885f83a5 [0,0,0,0,0,2|2,0,0]=4 1702 B12R0.137 CC(=O)CCCNCCS(=O)(=O)C d70ea9d71ef270919833b3e54e7dcbff [0,0,0,0,0,2|2,0,0]=4 1703 B12R0.137 CC(=O)CCCNCCS(=O)(=O)N 6d27901dbf5029b320b74d55cc8a2684 [0,0,0,0,0,2|2,0,0]=4 1704 B12R0.137 CC(=O)CCCNCCS(=O)(=O)O e27dfff399c40743c55fa6b3ba8e1daf [0,0,0,0,0,2|1,0,0]=3 1705 B12R0.137 CC(=O)CCCOCCS(=O)(=O)C 1101bbfaf40d41653d03bf956dc3638e [0,0,0,0,0,2|2,0,0]=4 1706 B12R0.137 CC(=O)CCCOCCS(=O)(=O)N c4733a737ec1a60209f662b858e356fb [0,0,0,0,0,2|2,0,0]=4 1707 B12R0.137 CC(=O)CCCOCCS(=O)(=O)O abb8c76f326b3bc987f34d677c5c49c2 [0,0,0,0,0,2|1,0,0]=3 1708 B12R0.137 CC(=O)CCCOCOS(=O)(=O)Cl 71754d7e19e0adb2bc3411c58f899535 [0,0,0,0,0,2|2,0,0]=4 1709 B12R0.137 CC(=O)CCNCCCS(=O)(=O)C 826600188c94cd98ae1a01177811980c [0,0,0,0,0,2|1,0,0]=3 1710 B12R0.137 CC(=O)CCNCCCS(=O)(=O)N f31194acaae9d21456dab96b6512cced [0,0,0,0,0,2|1,0,0]=3 1711 B12R0.137 CC(=O)CCNCCCS(=O)(=O)O 9e9b7f1a5805a3b374b87e331a570d0d [0,0,0,0,0,2|0,0,0]=2 1712 B12R0.137 CC(=O)CCNCCNS(=O)(=O)C d8dfd10c1e4f356d739debb5339402e7 [0,0,0,0,0,2|2,0,0]=4 1713 B12R0.137 CC(=O)CCNCCOS(=O)(=O)O 0a13ee8fd618a387c2d977ed1d171379 [0,0,0,0,0,2|1,0,0]=3 1714 B12R0.137 CC(=O)CCOCCCS(=O)(=O)C 82b9846b98ec4e0e7e79a8618e2ee4ba [0,0,0,0,0,2|2,0,0]=4 1715 B12R0.137 CC(=O)CCOCCCS(=O)(=O)N 9153f58dc4bd46275d9c28d996f63964 [0,0,0,0,0,2|2,0,0]=4 1716 B12R0.137 CC(=O)CCOCCCS(=O)(=O)O ea433e9c425bab1fcc1e2b4cb329df1c [0,0,0,0,0,2|1,0,0]=3 1717 B12R0.137 CC(=O)CCOCCNS(=O)(=O)C 10f890cef0038244aff6374e9f4a9128 [0,0,0,0,0,2|2,0,0]=4 1718 B12R0.137 CC(=O)CCOCCOS(=O)(=O)C 0006b84cf92d32210dc358d648ba2dfb [0,0,0,0,0,2|2,0,0]=4 1719 B12R0.137 CC(=O)CCOCCSS(=O)(=O)C 8083f07488d3c67743ee279a3f2eacd8 [0,0,0,0,0,2|2,0,0]=4 1720 B12R0.137 CC(=O)CNCCCCS(=O)(=O)C c46d05d7eb6ee14002fc2dffe74ab19f [0,0,0,0,0,2|1,0,0]=3 1721 B12R0.137 CC(=O)CNCCCCS(=O)(=O)O ad26f9a5318111d829eadfa6108e8c68 [0,0,0,0,0,2|0,0,0]=2 1722 B12R0.137 CC(=O)CNCCCNS(=O)(=O)Cl 90a08e46ae87694f701985f1a6ffcd49 [0,0,0,0,0,2|1,0,0]=3 1723 B12R0.137 CC(=O)COCCCCS(=O)(=O)C 89141d5be3829be6505a99439bfc4265 [0,0,0,0,0,2|2,0,0]=4 1724 B12R0.137 CC(=O)COCCCCS(=O)(=O)O 46335c58beb4ca45c1e23e4ebe721187 [0,0,0,0,0,2|1,0,0]=3 1725 B12R0.137 CC(=O)COCCCNS(=O)(=O)Cl 161a5672e2f6fbb717b589f401842edd [0,0,0,0,0,2|2,0,0]=4 1726 B12R0.137 CC(=O)NCCCCCS(=O)(=O)O 3b5eac7259b9ae89be46233ec2202abc [0,0,0,0,0,2|0,0,0]=2 1727 B12R0.137 CC(=O)NCCCNCS(=O)(=O)C 93db82d1a42c798f87bb3f8c66a92db2 [0,0,0,0,0,2|1,0,0]=3 1728 B12R0.137 CC(=O)NCCCNCS(=O)(=O)O 406df6dcc0329780d6b6610c4ff8be77 [0,0,0,0,0,2|0,0,0]=2 1729 B12R0.137 CC(=O)NCCCOCS(=O)(=O)C bbf99bf0bdae4026d805e82de290fac6 [0,0,0,0,0,2|1,0,0]=3 1730 B12R0.137 CC(=O)NCCCOCS(=O)(=O)O 580dcd09a31015ae6c26715ec53a7a3d [0,0,0,0,0,2|0,0,0]=2 1731 B12R0.137 CC(=O)NCCNCCS(=O)(=O)C 20e172852db5733ae12e4d985a7fa145 [0,0,0,0,0,2|1,0,0]=3 1732 B12R0.137 CC(=O)NCCNCCS(=O)(=O)N db7d71e1a8f2375d0a6eeae6f2435cc8 [0,0,0,0,0,2|1,0,0]=3 1733 B12R0.137 CC(=O)NCCNCCS(=O)(=O)O 8803394d76e86e51ab742add0389b952 [0,0,0,0,0,2|0,0,0]=2 1734 B12R0.137 CC(=O)NCCNCOS(=O)(=O)Cl 299bcfb866e461316e6a7fa82894d4bb [0,0,0,0,0,2|1,0,0]=3 1735 B12R0.137 CC(=O)NCCOCCS(=N)(=O)C 4b79de93a1e56386123105ee488177ab [0,0,0,0,0,2|2,0,0]=4 1736 B12R0.137 CC(=O)NCCOCCS(=O)(=O)C c84455942a5c5771676bb4536358ac5c [0,0,0,0,0,2|1,0,0]=3 1737 B12R0.137 CC(=O)NCCOCCS(=O)(=O)N d94bfc5c7e359b1ff370ab061431ae23 [0,0,0,0,0,2|1,0,0]=3 1738 B12R0.137 CC(=O)NCCOCCS(=O)(=O)O be424afd4248612ae0710c835e467bf4 [0,0,0,0,0,2|0,0,0]=2 1739 B12R0.137 CC(=O)NCCOCOS(=O)(=O)Cl 5b1e037535c1bc75f60467add84ee028 [0,0,0,0,0,2|1,0,0]=3 1740 B12R0.137 CC(=O)NCOCCCS(=O)(=O)C 3dcef783175a3920c06718b1e014e036 [0,0,0,0,0,2|1,0,0]=3 1741 B12R0.137 CC(=O)NCOCCCS(=O)(=O)N 343a766aa665e34edaafddfb82eb78f2 [0,0,0,0,0,2|1,0,0]=3 1742 B12R0.137 CC(=O)NCOCCCS(=O)(=O)O 3fe44e988ec72b9992e4380d3b8acc2d [0,0,0,0,0,2|0,0,0]=2 1743 B12R0.137 CC(=O)NCOCCNS(=O)(=O)C 8626989c77d1d31ab885fd79219cc22c [0,0,0,0,0,2|1,0,0]=3 1744 B12R0.137 CC(=O)NCOCCNS(=O)(=O)Cl 76507d444d78087fd357f2834f14c5a7 [0,0,0,0,0,2|1,0,0]=3 1745 B12R0.137 CC(=O)NCOCCOS(=O)(=O)C 44c95c4f501991c67cba139dcdce462f [0,0,0,0,0,2|1,0,0]=3 1746 B12R0.137 CC(=O)OCCCNCS(=O)(=O)O 05f72b4eeab09d34e6dd60b729ae91ab [0,0,0,0,0,2|1,0,0]=3 1747 B12R0.137 CC(=O)OCCCOCS(=O)(=O)C bab57baf73ce86bce042ea4a0afee1e2 [0,0,0,0,0,2|2,0,0]=4 1748 B12R0.137 CC(=O)OCCCOCS(=O)(=O)N 200a74b6ebf0849332c7639ee12513a8 [0,0,0,0,0,2|2,0,0]=4 1749 B12R0.137 CC(=O)OCCCOCS(=O)(=O)O 9b816fcaf894ac81b6c63f290b242d45 [0,0,0,0,0,2|1,0,0]=3 1750 B12R0.137 CC(=O)OCCNCCS(=O)(=O)C 957ca83b271e99a2de2a500bfd76c06d [0,0,0,0,0,2|2,0,0]=4 1751 B12R0.137 CC(=O)OCCNCCS(=O)(=O)N dc5b290a7477fb14594eef7e3cd6efe7 [0,0,0,0,0,2|2,0,0]=4 1752 B12R0.137 CC(=O)OCCNCCS(=O)(=O)O f7828b2214f2b67ee215f3243e3b2463 [0,0,0,0,0,2|1,0,0]=3 1753 B12R0.137 CC(=O)OCCOCCS(=O)(=O)C 6ec996217e334e246032282b264fcfd4 [0,0,0,0,0,2|2,0,0]=4 1754 B12R0.137 CC(=O)OCCOCCS(=O)(=O)N 2b9a35867fa5a6a0a3ce84c5ff08205f [0,0,0,0,0,2|2,0,0]=4 1755 B12R0.137 CC(=O)OCCOCCS(=O)(=O)O 7380efea404028768295bf55e52d886a [0,0,0,0,0,2|1,0,0]=3 1756 B12R0.137 CC(=O)OCCOCOS(=O)(=O)Cl 3808c99d9013f0d42044df6a17871c81 [0,0,0,0,0,2|2,0,0]=4 1757 B12R0.137 CC(=O)OCNCCCS(=O)(=O)C e39824d2e403c08423767d1a527be6e6 [0,0,0,0,0,2|1,0,0]=3 1758 B12R0.137 CC(=O)OCNCCCS(=O)(=O)N dcd9137b26f649db0ff3a54a8f472b6d [0,0,0,0,0,2|1,0,0]=3 1759 B12R0.137 CC(=O)OCNCCCS(=O)(=O)O d395183a8641bb35a0b9f08181f65eb4 [0,0,0,0,0,2|0,0,0]=2 1760 B12R0.137 CC(=O)OCNCCNS(=O)(=O)C eb0725c0a45e2a516ab14b5947b36b05 [0,0,0,0,0,2|2,0,0]=4 1761 B12R0.137 CC(=O)OCNCCOS(=O)(=O)O 94cd6e257ab59bbf74fddaaea33adc58 [0,0,0,0,0,2|1,0,0]=3 1762 B12R0.137 CC(=O)OCOCCCS(=O)(=O)C dc32eebcd6a370a4c409d47174d65c35 [0,0,0,0,0,2|2,0,0]=4 1763 B12R0.137 CC(=O)OCOCCCS(=O)(=O)N c76c37d0358653e1622ecb5069bc8e0f [0,0,0,0,0,2|2,0,0]=4 1764 B12R0.137 CC(=O)OCOCCCS(=O)(=O)O 8d899531ef861a1cd9902a61a7559e26 [0,0,0,0,0,2|1,0,0]=3 1765 B12R0.137 CC(=O)OCOCCNS(=O)(=O)C 8524b6162e17596164a2b5a68cbcc3ff [0,0,0,0,0,2|2,0,0]=4 1766 B12R0.137 CC(=O)OCOCCSS(=O)(=O)C 078c01632d89c101b539fa0a3940de0e [0,0,0,0,0,2|2,0,0]=4 1767 B12R0.137 CC(=O)SCCCNCS(=O)(=O)O 21683521fb6c02d1e3720787ca016762 [0,0,0,0,0,2|1,0,0]=3 1768 B12R0.137 CC(=O)SCCCOCS(=O)(=O)C a820cb1910e6941b62dc9c49c780f64e [0,0,0,0,0,2|2,0,0]=4 1769 B12R0.137 CC(=O)SCCCOCS(=O)(=O)N 74941ebca8fea78aa969708b0cf03f7e [0,0,0,0,0,2|2,0,0]=4 1770 B12R0.137 CC(=O)SCCCOCS(=O)(=O)O c472c093b15f3889d91bb08c4986cd9f [0,0,0,0,0,2|1,0,0]=3 1771 B12R0.137 CC(=O)SCCNCCS(=O)(=O)C 62a8176502d9cf4ce50a96b1e261e176 [0,0,0,0,0,2|2,0,0]=4 1772 B12R0.137 CC(=O)SCCNCCS(=O)(=O)N 0bdb175e002277222dc96c774a30a6a2 [0,0,0,0,0,2|2,0,0]=4 1773 B12R0.137 CC(=O)SCCNCCS(=O)(=O)O a88df83eaabf286659e64e9742efbda6 [0,0,0,0,0,2|1,0,0]=3 1774 B12R0.137 CC(=O)SCCOCCS(=O)(=O)C 586975852ff42be2d3ebbe5b5a2bf75a [0,0,0,0,0,2|2,0,0]=4 1775 B12R0.137 CC(=O)SCCOCCS(=O)(=O)N b1ae843f7db387c4bafdf4cf8ea01324 [0,0,0,0,0,2|2,0,0]=4 1776 B12R0.137 CC(=O)SCCOCCS(=O)(=O)O f41e68eddc9102be2e358f90f6b6ac9c [0,0,0,0,0,2|1,0,0]=3 1777 B12R0.137 CC(=S)OCCCNCS(=O)(=O)O 564f92ce2bb21449fb40e16290d4160b [0,0,0,0,0,2|1,1,0]=4 1778 B12R0.137 CC(C)CCNCCCS(=O)(=O)O b0832d178b4c121c953ced9761bd2628 [0,0,0,0,0,2|1,0,1]=4 1779 B12R0.137 CC(C)CNCCCCS(=O)(=O)O d7afa3a8a7dcfe5cc1bb2cd594aed256 [0,0,0,0,0,2|1,0,1]=4 1780 B12R0.137 CC(C)NCCCCCS(=O)(=O)O 40c16e5516e950a447642147d10c1746 [0,0,0,0,0,2|1,0,1]=4 1781 B12R0.137 CC(C)OCNCCCS(=O)(=O)O 651fb4c4fe1d5bec62ab5e51a4f93a15 [0,0,0,0,0,2|1,0,1]=4 1782 B12R0.137 CC(O)CCNCCCS(=O)(=O)O a1f6a02070ed37a070d2112dd625d33b [0,0,0,0,0,2|0,0,2]=4 1783 B12R0.137 CC(O)CNCCCCS(=O)(=O)O bf8d493fba65512401b51a2b2d767109 [0,0,0,0,0,2|0,0,2]=4 1784 B12R0.137 CN(C)CCNCCCS(=O)(=O)O 2e2d37413fcc2088ad60aff91c2f41b7 [0,0,0,0,0,2|2,0,0]=4 1785 B12R0.137 CS(=O)(=O)CCCCNCC(=O)N c21d9a4190c130de3fe6f5e31063085d [0,0,0,0,0,2|2,0,0]=4 1786 B12R0.137 CS(=O)(=O)CCCCNCC(=O)O cd3f6b3a810bee7ad8762e97b4ae9d17 [0,0,0,0,0,2|2,0,0]=4 1787 B12R0.137 CS(=O)(=O)CCCNCCC(=O)N be23cf3aca525b89c3b6daa94615f989 [0,0,0,0,0,2|2,0,0]=4 1788 B12R0.137 CS(=O)(=O)CCCNCCC(=O)O 6ad03b9368c686ae1455d8fd30937b1a [0,0,0,0,0,2|2,0,0]=4 1789 B12R0.137 CS(=O)(=O)CCCNCSC(=O)N 0d6b400e66bbf016729ebbf7e4c1da6b [0,0,0,0,0,2|2,0,0]=4 1790 B12R0.137 CS(=O)(=O)CCCOCNC(=O)N a0d4ffb2941d23cb8fe04d89e931995d [0,0,0,0,0,2|2,0,0]=4 1791 B12R0.137 CS(=O)(=O)CCNCCNC(=O)N 8c0f806e03db467c61cbad243a846a8c [0,0,0,0,0,2|2,0,0]=4 1792 B12R0.137 CS(=O)(=O)CCOCCNC(=O)N b359cdfc66f086e54c1d09a0bc2c08bd [0,0,0,0,0,2|2,0,0]=4 1793 B12R0.137 CS(=O)(=O)NCCCNCC(=O)N fab4bf12b13ab5aca34ed9f6a27d161d [0,0,0,0,0,2|2,0,0]=4 1794 B12R0.137 CS(=O)(=O)NCCCNCC(=O)O 584c16391a774f7ac353054f85300d41 [0,0,0,0,0,2|2,0,0]=4 1795 B12R0.137 CS(=O)(=O)NCCOCNC(=O)N dc901a9dd1d6d475981d2019e80cd518 [0,0,0,0,0,2|2,0,0]=4 1796 B12R0.137 CS(=O)(=O)OCCOCNC(=O)N 112bbc8652ac37c58ff48a36daaeaca4 [0,0,0,0,0,2|2,0,0]=4 1797 B12R0.137 CS(=O)CCCNCCS(=O)(=O)O f2f4ad40a319c92cde941a91c33fdda2 [0,0,0,0,0,2|2,0,0]=4 1798 B12R0.137 CS(=O)CCNCCCS(=O)(=O)C e65a5d6207291d2ab3050e225d468c8b [0,0,0,0,0,2|2,0,0]=4 1799 B12R0.137 CS(=O)CCNCCCS(=O)(=O)N 577e646dc0902ae52397bd34932b0865 [0,0,0,0,0,2|2,0,0]=4 1800 B12R0.137 CS(=O)CCNCCCS(=O)(=O)O 7d10da83748761929d663bc8a7ff21ff [0,0,0,0,0,2|1,0,0]=3 1801 B12R0.137 CS(=O)CCNCCOS(=O)(=O)O 0fc3e4bc3ea7afa36322931c4499572c [0,0,0,0,0,2|2,0,0]=4 1802 B12R0.137 CS(=O)CCOCCCS(=O)(=O)O 1e9d0163f024e20e626ed65027c559dc [0,0,0,0,0,2|2,0,0]=4 1803 B12R0.137 C[C@@H](O)CCNCCCS(=O)(=O)O 33106d99006125177e164dadaa6e6192 [0,0,0,0,0,2|0,0,2]=4 1804 B12R0.137 C[C@@H](O)CNCCCCS(=O)(=O)O 5cb5f8536b334749b94164d58847df37 [0,0,0,0,0,2|0,0,2]=4 1805 B12R0.137 C[C@H](O)CCNCCCS(=O)(=O)O 56e5553f020ddf0cf3bae6813196bace [0,0,0,0,0,2|0,0,2]=4 1806 B12R0.137 C[C@H](O)CNCCCCS(=O)(=O)O cb1752d057789b4243f6ab2b6e9a6cff [0,0,0,0,0,2|0,0,2]=4 1807 B12R0.137 NC(=O)C#CCNCCS(=O)(=O)O bd5847012f3344e261247b438b54672c [0,0,0,0,0,2|2,0,0]=4 1808 B12R0.137 NC(=O)CCCCNCS(=O)(=O)O 3157786e8baf3141f0eba135f825b0c9 [0,0,0,0,0,2|2,0,0]=4 1809 B12R0.137 NC(=O)CCCNCCS(=O)(=O)O bba0bc937765498e556d0f4fdf461acd [0,0,0,0,0,2|2,0,0]=4 1810 B12R0.137 NC(=O)CCCOCCS(=O)(=O)O d99f500cd3711a3e09aaf5e8059a2e2a [0,0,0,0,0,2|2,0,0]=4 1811 B12R0.137 NC(=O)CCNCCCS(=O)(=O)N 127723294369c1f180b5a42ed6a9fa25 [0,0,0,0,0,2|2,0,0]=4 1812 B12R0.137 NC(=O)CCNCCCS(=O)(=O)O f85426c4edf2d2ddfbf03bde4d1d20fb [0,0,0,0,0,2|1,0,0]=3 1813 B12R0.137 NC(=O)CCNCCOS(=O)(=O)O 62c993a493ceac7077b4cd769c4336e5 [0,0,0,0,0,2|2,0,0]=4 1814 B12R0.137 NC(=O)CCOCCCS(=O)(=O)O 9d41b7995045a7221d088bd952d1fa19 [0,0,0,0,0,2|2,0,0]=4 1815 B12R0.137 NC(=O)CNCCCCS(=O)(=O)O e55346e7506c7f97bbc22d9fd9b59b6d [0,0,0,0,0,2|1,0,0]=3 1816 B12R0.137 NC(=O)CNCCCNS(=O)(=O)Cl 91ff6c3f247ff69c251a3ab40a0666fd [0,0,0,0,0,2|2,0,0]=4 1817 B12R0.137 NC(=O)COCCCCS(=O)(=O)O cd1648838d67ed6a26471d193d12dd5a [0,0,0,0,0,2|2,0,0]=4 1818 B12R0.137 NC(=O)COCCCNS(=O)(=O)O f08db759f6de45d5bb08665d0d9a288b [0,0,0,0,0,2|2,0,0]=4 1819 B12R0.137 NC(=O)COCCNCS(=O)(=O)O b5f4dcfa0f62655ae8407c5c5fc4123f [0,0,0,0,0,2|2,0,0]=4 1820 B12R0.137 NC(=O)CSCCOCS(=O)(=O)O 2595b728c7d7d538dada40911459310a [0,0,0,0,0,2|2,0,0]=4 1821 B12R0.137 NC(=O)NCCNCCS(=O)(=O)N 5e8a207946a8f2488859204e6007e743 [0,0,0,0,0,2|2,0,0]=4 1822 B12R0.137 NC(=O)NCCNCCS(=O)(=O)O 46e03d394a5f6f78dee0687d0bc729f6 [0,0,0,0,0,2|1,0,0]=3 1823 B12R0.137 NC(=O)NCCOCCS(=O)(=O)N f37dc86e1d2d4f35815c97e4903b2e37 [0,0,0,0,0,2|2,0,0]=4 1824 B12R0.137 NC(=O)NCCOCCS(=O)(=O)O 8d7b26ef6884856f55a239dd4cfc6eea [0,0,0,0,0,2|1,0,0]=3 1825 B12R0.137 NC(=O)NCOCCCS(=O)(=O)N 02aabe80221462b2224cfc089ecd310d [0,0,0,0,0,2|2,0,0]=4 1826 B12R0.137 NC(=O)NCOCCCS(=O)(=O)O fdd17737dfe6f65483630c43a7a5ca5c [0,0,0,0,0,2|1,0,0]=3 1827 B12R0.137 NC(=O)NCOCCNS(=O)(=O)Cl 0cb0b948a1f0cf9d860ac855b38c3169 [0,0,0,0,0,2|2,0,0]=4 1828 B12R0.137 NC(=O)SCNCCCS(=O)(=O)N 918e784fa15f7c1ccd65f68fad906f3c [0,0,0,0,0,2|2,0,0]=4 1829 B12R0.137 NC(=O)SCNCCCS(=O)(=O)O 3c692ddecad99d448bbe00a00f68cc37 [0,0,0,0,0,2|1,0,0]=3 1830 B12R0.137 NC(=O)SCNCCOS(=O)(=O)O 00127ac6877f9524a54c1dfc60d64037 [0,0,0,0,0,2|2,0,0]=4 1831 B12R0.137 NC(=O)SCOCCCS(=O)(=O)O 37e56fe3d161c1af5f839089537f073c [0,0,0,0,0,2|2,0,0]=4 1832 B12R0.137 NC(=S)CCNCCCS(=O)(=O)O 8a3e2b955ef0d22887b910d208c156cf [0,0,0,0,0,2|1,1,0]=4 1833 B12R0.137 NC(=S)NCCNCCS(=O)(=O)O b27447dbc26f062e54a14ffebe814fbd [0,0,0,0,0,2|1,1,0]=4 1834 B12R0.137 NC(=S)NCCOCCS(=O)(=O)O 1ca174873d2b676526e11e2eafdc4dea [0,0,0,0,0,2|1,1,0]=4 1835 B12R0.137 O=C(O)/C=C/CNCCS(=O)(=O)O 2f733d7f859bf18d04a01408a74d7c29 [0,0,0,0,0,2|2,0,0]=4 1836 B12R0.137 O=C(O)/C=C/COCCS(=O)(=O)O b8dfe474abc47cdec985efbc7d952748 [0,0,0,0,0,2|2,0,0]=4 1837 B12R0.137 O=C(O)C#CCNCCS(=O)(=O)O 29247391f87c1f2841a56a3340d8aeb4 [0,0,0,0,0,2|2,0,0]=4 1838 B12R0.137 O=C(O)C#CCOCCS(=O)(=O)O 62d3872fd4678f5133160f3103d3fa60 [0,0,0,0,0,2|2,0,0]=4 1839 B12R0.137 O=C(O)C=CCNCCS(=O)(=O)O ed803e9ce20dc21afc46c56c4fd3d0b7 [0,0,0,0,0,2|2,0,0]=4 1840 B12R0.137 O=C(O)C=CCOCCS(=O)(=O)O b2e3a2a6350ee8f63263259aa56022ba [0,0,0,0,0,2|2,0,0]=4 1841 B12R0.137 O=C(O)CCCNCCS(=O)(=O)O 5950981f9410a35422c8bc42da0b5c39 [0,0,0,0,0,2|2,0,0]=4 1842 B12R0.137 O=C(O)CCNCCCS(=O)(=O)O e8917d1ae912bc67561858da7fb066fd [0,0,0,0,0,2|1,0,0]=3 1843 B12R0.137 O=C(O)CCNCCOS(=O)(=O)O 9bed50fb9283a4b221773af75f1807fa [0,0,0,0,0,2|2,0,0]=4 1844 B12R0.137 O=C(O)CCOCCCS(=O)(=O)O 13ad7aaee3e30d5090e617cd9c0c6f24 [0,0,0,0,0,2|2,0,0]=4 1845 B12R0.137 O=C(O)CNCCCNS(=O)(=O)Cl 2fbd66991b7a5e4ea1a12545b3e97036 [0,0,0,0,0,2|2,0,0]=4 1846 B12R0.137 O=C(O)COCCCCS(=O)(=O)O 4d201fb9361ad7f46ee9fa05c2cd5747 [0,0,0,0,0,2|2,0,0]=4 1847 B12R0.137 O=C(O)COCCCNS(=O)(=O)O 897998778b55046f91412f680c2a50a6 [0,0,0,0,0,2|2,0,0]=4 1848 B12R0.137 O=C(O)COCCNCS(=O)(=O)O 8634eb81bef2bc6d7cbd9d1c8ed00ce1 [0,0,0,0,0,2|2,0,0]=4 1849 B12R0.137 O=C(O)COCCOCS(=O)(=O)O fba80f427e3f68e1d21ee73e5f201ac3 [0,0,0,0,0,2|2,0,0]=4 1850 B12R0.137 O=C(O)CSCCNCS(=O)(=O)O 63b3ebb22c16f16fc0a54d4a3f2db06a [0,0,0,0,0,2|2,0,0]=4 1851 B12R0.137 O=S(=O)(O)CCCNCC=C(Cl)Cl 8efef03613d965c874ee4c61bf1f68d2 [0,0,0,0,0,2|2,0,0]=4 1852 B12R0.137 O=S(O)CCNCCCS(=O)(=O)O a82e4377059cb57ed88933457ddffaaf [0,0,0,0,0,2|2,0,0]=4