0 B8R0.6 C#CC(C)NCCCC 99dcac99512f233bb0273e0e2363fd2b [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 C#CC(C)OCCCC 3207897689b41a23a71912b34d0efa66 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C#CCCNC(C)C=C 8395928348861800aa4c32b9fe974e18 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 C#CCCOC(C)C=C bd80accd250ead8312285d622a47adc4 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 C#CCCO[C@@H](C)C=C 89452d5801aa9ec45f7b3f9c957db4c6 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 C#CCNCC(O)C=C 8e9c0d7e1ff1c84b2b4fa6685ea9e369 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 C#CCOCC(C)C=C dd0e29553acd4bd953aaaa612c32ae82 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.6 C#C[C@@H](C)NCCCC 64caffac88bcc4d045741618f9fc4de7 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.6 C#C[C@@H](C)OCCCC b92639cee7f5ea1462b33c3a3cf2f7d2 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.6 C#C[C@H](C)NCCCC 3a6bb340c675c1220e4a07e2457d62cf [0,0,0,0,0,0|2,0,2]=4 10 B8R0.6 C#C[C@H](C)OCCCC a86793577755948db77c64a70ade7d8c [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,0,0,0,0,0|3,0,1]=4 12 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,0,0,0,0,0|1,0,2]=3 13 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,0,0,0,0,0|2,0,2]=4 15 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,0,0,0,0,0|2,0,2]=4 17 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.6 C=CC(C)COCC#N f6b1029e285372ae7e0605851243c174 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,0,0,0,0,0|2,0,0]=2 21 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,0,0,0,0,0|3,0,0]=3 24 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.6 C=CC(C)NC/C=C/C 3ebd305f80d0eef48b82ba2f2f79a757 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.6 C=CC(C)NC/C=C\C a60e9b866134addf0e7bba21cae06bf7 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.6 C=CC(C)NCC#CC 78e16e680d23cd2e7cd58c085241f642 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.6 C=CC(C)NCC=CC 5cd0f6764943359222fc0226d62052a3 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.6 C=CC(C)NCCC#N 862bbb94033c366c1e5a23a5f3d797bb [0,0,0,0,0,0|3,0,1]=4 30 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.6 C=CC(C)NCCCCl 2c0425a355b93be0cccbe28b5737630a [0,0,0,0,0,0|3,0,0]=3 33 B8R0.6 C=CC(C)NCCCF 81a11e1ce99b4e8f25c40cbbc2e8fee0 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,0,0,0,0,0|3,0,0]=3 35 B8R0.6 C=CC(C)NCCCS 17b570e4bd0573fa5e2cb191fe00ce05 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,0,0,0,0,0|3,0,0]=3 37 B8R0.6 C=CC(C)NCCON ed2f503e16ffb89e0dac84ef89b6d5f2 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,0,0,0,0,0|3,0,0]=3 39 B8R0.6 C=CC(C)NCOCC 82446d644bc5bc51b133501fed7cbaa9 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.6 C=CC(C)OC/C=C/C aebdee5aafe913b6df3bb26f25910347 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.6 C=CC(C)OC/C=C\C 3a53396281882a624be088094f92c47f [0,0,0,0,0,0|2,0,2]=4 42 B8R0.6 C=CC(C)OCC#CC 82e9de3a22e461456cf79f4ba712a618 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.6 C=CC(C)OCC=CC 9191e9101695b30a824edf8bbd483f58 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.6 C=CC(C)OCCC#N 41c567b20393f731447c885d2891aa28 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,0,0,0,0,0|3,0,1]=4 46 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,0,0,0,0,0|2,0,0]=2 47 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,0,0,0,0,0|3,0,0]=3 50 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,0,0,0,0,0|3,0,0]=3 52 B8R0.6 C=CC(O)CNCC#N 76d6768f7af787d55d6485d13fe2530e [0,0,0,0,0,0|2,0,1]=3 53 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,0,0,0,0,0|1,0,0]=1 55 B8R0.6 C=CC(O)CNCCF 0d4993498a1055847724e70ade581451 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,0,0,0,0,0|2,0,0]=2 57 B8R0.6 C=CC(O)CNCCS 4e0c558cb75acbabb0690b53be293642 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,0,0,0,0,0|2,0,0]=2 59 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,0,0,0,0,0|2,0,0]=2 60 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [0,0,0,0,0,0|2,0,2]=4 61 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,0,0,0,0,0|2,0,2]=4 62 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,0,0,0,0,0|2,0,2]=4 63 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [0,0,0,0,0,0|1,0,2]=3 64 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [0,0,0,0,0,0|2,0,2]=4 65 B8R0.6 C=C[C@H](C)OC/C=C/C d9c811e78410ea96eb828b68e437a452 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.6 C=C[C@H](C)OC/C=C\C 736906b3237f70f0c6c14fbb4b396053 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.6 C=C[C@H](C)OCC#CC b3efbbabd1e09b25e6104725d8a15722 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.6 C=C[C@H](C)OCCC#N c910e676dc005678aff7c1f27e31dd90 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,0,0,0,0,0|2,0,0]=2 71 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,0,0,0,0,0|2,0,2]=4 84 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,0,0,0,0,0|2,0,2]=4 85 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,0,0,0,0,0|2,0,2]=4 87 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,0,0,0,0,0|2,0,2]=4 89 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,0,0,0,0,0|3,0,1]=4 90 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,0,0,0,0,0|3,0,1]=4 91 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,0,0,0,0,0|2,0,2]=4 92 B8R0.6 CCCCNC(C)C#N d38915e3da40d7b69edc69cc021327b0 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,0,0,0,0,0|3,0,0]=3 94 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,0,0,0,0,0|3,0,1]=4 96 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,0,0,0,0,0|2,0,2]=4 97 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,0,0,0,0,0|3,0,1]=4 98 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,0,0,0,0,0|3,0,0]=3 99 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,0,0,0,0,0|2,0,2]=4 100 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.6 CCCCOC(C)C#N 7da6308c22e0ffbd26076a61b450c9cf [0,0,0,0,0,0|3,0,1]=4 102 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,0,0,0,0,0|3,0,0]=3 103 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,0,0,0,0,0|2,0,2]=4 107 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,0,0,0,0,0|3,0,0]=3 108 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,0,0,0,0,0|2,0,2]=4 109 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.6 CCCNCC(C)C#N 7a8f25cbe4eafecbfad37f34e9676995 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,0,0,0,0,0|3,0,1]=4 115 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,0,0,0,0,0|3,0,1]=4 117 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,0,0,0,0,0|1,0,2]=3 118 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,0,0,0,0,0|2,0,1]=3 119 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,0,0,0,0,0|2,0,1]=3 120 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,0,0,0,0,0|3,0,1]=4 123 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,0,0,0,0,0|2,0,1]=3 125 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,0,0,0,0,0|2,0,2]=4 126 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,0,0,0,0,0|3,0,1]=4 129 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,0,0,0,0,0|1,0,2]=3 130 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,0,0,0,0,0|3,0,1]=4 132 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,0,0,0,0,0|3,0,1]=4 133 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,0,0,0,0,0|3,0,1]=4 135 B8R0.6 CCCOCC(C)C#N 24a74f83c604589c98222d73335a0f81 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,0,0,0,0,0|2,0,2]=4 137 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,0,0,0,0,0|3,0,1]=4 139 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,0,0,0,0,0|2,1,1]=4 141 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,0,0,0,0,0|2,0,1]=3 144 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,0,0,0,0,0|2,0,1]=3 147 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,0,0,0,0,0|3,0,1]=4 149 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,0,0,0,0,0|2,0,1]=3 150 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,0,0,0,0,0|3,0,1]=4 151 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,0,0,0,0,0|2,0,2]=4 152 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,0,0,0,0,0|3,0,1]=4 153 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,0,0,0,0,0|1,1,2]=4 154 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,0,0,0,0,0|2,0,2]=4 156 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,0,0,0,0,0|4,0,0]=4 157 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,0,0,0,0,0|2,0,2]=4 159 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,0,0,0,0,0|2,0,2]=4 160 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,0,0,0,0,0|2,0,2]=4 161 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,0,0,0,0,0|2,0,2]=4 162 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,0,0,0,0,0|4,0,0]=4 163 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,0,0,0,0,0|4,0,0]=4 165 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,0,0,0,0,0|4,0,0]=4 167 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,0,0,0,0,0|3,0,1]=4 170 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,0,0,0,0,0|3,0,1]=4 172 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,0,0,0,0,0|3,0,1]=4 173 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,0,0,0,0,0|3,0,1]=4 174 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,0,0,0,0,0|4,0,0]=4 175 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,0,0,0,0,0|4,0,0]=4 176 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,0,0,0,0,0|3,0,1]=4 180 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,0,0,0,0,0|4,0,0]=4 182 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,0,0,0,0,0|4,0,0]=4 183 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.6 OC(CF)CNCCBr e2c1408e25a44b6932edb2be746900e3 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.6 OC(CF)CNCCF c225cb98c86411ffda99f751f7b49303 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.6 OC(CF)CNCCI f15bd7c7d12035ee4db1d06a44e576a8 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.6 OC(CF)CNCCS 748ff82e8c92c38cb89a0edd56be368e [0,0,0,0,0,0|3,0,1]=4 189 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,0,0,0,0,0|3,0,1]=4 190 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,0,0,0,0,0|3,0,1]=4 191 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,0,0,0,0,0|3,0,1]=4 192 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,0,0,0,0,0|3,0,1]=4 193 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,0,0,0,0,0|3,0,1]=4 202 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,0,0,0,0,0|3,0,1]=4 207 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,0,0,0,0,0|3,0,1]=4 211 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,0,0,0,0,0|3,0,1]=4 212 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [1,0,0,0,0,0|1,0,2]=4 214 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [1,0,0,0,0,0|1,0,2]=4 215 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [1,0,0,0,0,0|1,0,2]=4 216 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [1,0,0,0,0,0|1,0,2]=4 217 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [1,0,0,0,0,0|1,0,2]=4 218 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [1,0,0,0,0,0|1,0,2]=4 220 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [1,0,0,0,0,0|1,0,2]=4 221 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [1,0,0,0,0,0|1,0,2]=4 222 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [1,0,0,0,0,0|1,0,2]=4 223 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,0,0,0,0,0|1,0,2]=4 224 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [1,0,0,0,0,0|1,0,2]=4 225 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,0,0,0,0,0|1,0,2]=4 226 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [1,0,0,0,0,0|1,0,2]=4 227 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,0,0,0,0,0|1,0,2]=4 228 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [1,0,0,0,0,0|1,0,2]=4 229 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [1,0,0,0,0,0|2,0,1]=4 231 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [1,0,0,0,0,0|1,0,0]=2 232 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [1,0,0,0,0,0|2,0,0]=3 234 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [1,0,0,0,0,0|1,0,0]=2 235 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [1,0,0,0,0,0|2,0,0]=3 236 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [1,0,0,0,0,0|2,0,1]=4 237 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [1,0,0,0,0,0|1,0,2]=4 238 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [1,0,0,0,0,0|2,0,0]=3 240 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [1,0,0,0,0,0|1,0,0]=2 241 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [1,0,0,0,0,0|2,0,0]=3 242 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [1,0,0,0,0,0|2,0,0]=3 244 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [1,0,0,0,0,0|2,0,0]=3 245 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [1,0,0,0,0,0|2,0,1]=4 248 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [1,0,0,0,0,0|1,0,2]=4 249 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [1,0,0,0,0,0|2,0,1]=4 250 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [1,0,0,0,0,0|1,0,0]=2 251 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [1,0,0,0,0,0|2,0,0]=3 252 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [1,0,0,0,0,0|2,0,0]=3 253 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [1,0,0,0,0,0|2,0,0]=3 254 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [1,0,0,0,0,0|1,0,2]=4 256 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [1,0,0,0,0,0|1,0,2]=4 257 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [1,0,0,0,0,0|2,0,1]=4 258 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [1,0,0,0,0,0|1,0,0]=2 259 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [1,0,0,0,0,0|2,0,0]=3 260 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [1,0,0,0,0,0|2,0,0]=3 261 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [1,0,0,0,0,0|2,0,0]=3 264 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [1,0,0,0,0,0|1,0,2]=4 265 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [1,0,0,0,0,0|1,0,2]=4 266 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [1,0,0,0,0,0|1,0,2]=4 267 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [1,0,0,0,0,0|1,0,2]=4 268 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [1,0,0,0,0,0|1,0,0]=2 271 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [1,0,0,0,0,0|2,0,0]=3 272 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [1,0,0,0,0,0|2,0,0]=3 273 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [1,0,0,0,0,0|2,0,0]=3 275 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [1,0,0,0,0,0|2,0,0]=3 276 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [1,0,0,0,0,0|2,0,0]=3 279 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [1,0,0,0,0,0|3,0,0]=4 280 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [1,0,0,0,0,0|1,0,2]=4 281 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,0,0,0,0,0|1,0,2]=4 282 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [1,0,0,0,0,0|2,0,0]=3 284 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [1,0,0,0,0,0|1,0,2]=4 285 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,0,0,0,0,0|1,0,2]=4 288 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [1,0,0,0,0,0|2,0,0]=3 291 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [1,0,0,0,0,0|1,0,2]=4 293 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [1,0,0,0,0,0|2,0,1]=4 296 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [1,0,0,0,0,0|2,0,1]=4 297 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,0,0,0,0,0|2,0,1]=4 298 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [1,0,0,0,0,0|2,0,1]=4 300 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [1,0,0,0,0,0|1,0,2]=4 302 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,0,0,0,0,0|2,0,1]=4 305 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [1,0,0,0,0,0|2,0,0]=3 311 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [1,0,0,0,0,0|2,0,1]=4 312 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [1,0,0,0,0,0|2,0,1]=4 313 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [1,0,0,0,0,0|2,0,1]=4 314 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [1,0,0,0,0,0|2,0,1]=4 315 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [1,0,0,0,0,0|2,0,1]=4 316 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [1,0,0,0,0,0|3,0,0]=4 317 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,0,0,0,0,0|2,0,1]=4 318 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [1,0,0,0,0,0|2,0,1]=4 319 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [1,0,0,0,0,0|2,0,1]=4 320 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [1,0,0,0,0,0|2,0,1]=4 322 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,0,0,0,0,0|2,0,1]=4 326 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [1,0,0,0,0,0|2,0,1]=4 329 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,0,0,0,0,0|2,0,1]=4 333 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [1,0,0,0,0,0|2,0,1]=4 334 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,0,0,0,0,0|2,0,0]=3 335 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [1,0,0,0,0,0|2,0,1]=4 336 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,0,0,0,0,0|2,0,1]=4 337 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,0,0,0,0,0|2,0,1]=4 338 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,0,0,0,0,0|2,0,1]=4 339 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [1,0,0,0,0,0|3,0,0]=4 342 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [1,0,0,0,0,0|3,0,0]=4 344 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [1,0,0,0,0,0|3,0,0]=4 345 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [1,0,0,0,0,0|3,0,0]=4 350 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [1,0,0,0,0,0|3,0,0]=4 353 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [1,0,0,0,0,0|3,0,0]=4 355 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [1,0,0,0,0,0|3,0,0]=4 357 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [1,0,0,0,0,0|3,0,0]=4 358 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [1,0,0,0,0,0|3,0,0]=4 360 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [1,0,0,0,0,0|3,0,0]=4 362 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [1,0,0,0,0,0|3,0,0]=4 364 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,0,0,0,0,0|1,0,2]=4 366 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,0,0,0,0,0|2,0,0]=3 367 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,0,0,0,0,0|2,0,0]=3 370 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [1,0,0,0,0,0|3,0,0]=4 375 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,0,0,0,0,0|2,0,0]=3 377 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [1,0,0,0,0,0|3,0,0]=4 379 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [1,0,0,0,0,0|3,0,0]=4 380 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [1,0,0,0,0,0|1,0,0]=2 383 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [1,0,0,0,0,0|2,0,0]=3 384 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [1,0,0,0,0,0|2,0,0]=3 385 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,0,0,0,0,0|2,0,0]=3 386 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [1,0,0,0,0,0|3,0,0]=4 389 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [1,0,0,0,0,0|3,0,0]=4 390 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,0,0,0,0,0|3,0,0]=4 391 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,0,0,0,0|3,0,0]=4 392 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,0,0,0,0|3,0,0]=4 393 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,0,0,0,0|3,0,0]=4 394 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [1,0,0,0,0,0|1,0,2]=4 396 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [1,0,0,0,0,0|1,0,2]=4 399 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,0,0,0,0,0|2,0,1]=4 405 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,0,0,0,0,0|2,0,1]=4 407 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,0,0,0,0,0|2,0,1]=4 410 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,0,0,0,0,0|2,0,1]=4 412 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [1,0,0,0,0,0|2,0,1]=4 413 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [1,0,0,0,0,0|2,0,1]=4 417 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [1,0,0,0,0,0|2,0,1]=4 419 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,0,0,0,0,0|2,0,1]=4 420 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,0,0,0,0,0|2,0,1]=4 421 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,0,0,0,0,0|1,0,1]=3 426 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,0,0,0,0,0|1,0,1]=3 427 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,0,0,0,0,0|2,0,1]=4 428 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,0,0,0,0,0|2,0,1]=4 429 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,0,0,0,0,0|1,1,1]=4 431 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [1,0,0,0,0,0|3,0,0]=4 432 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,0,0,0,0,0|3,0,0]=4 433 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,0,0,0,0,0|2,0,1]=4 434 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,0,0,0,0,0|2,0,1]=4 436 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,0,0,0,0,0|2,0,1]=4 437 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,0,0,0,0,0|1,0,1]=3 438 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,0,0,0,0,0|1,0,1]=3 441 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,0,0,0,0,0|1,0,1]=3 442 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [1,0,0,0,0,0|2,0,1]=4 446 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [1,0,0,0,0,0|2,0,1]=4 450 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [1,0,0,0,0,0|2,0,1]=4 452 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [1,0,0,0,0,0|2,0,1]=4 454 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [1,0,0,0,0,0|2,0,1]=4 456 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [1,0,0,0,0,0|2,0,1]=4 460 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [1,0,0,0,0,0|2,0,1]=4 461 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [1,0,0,0,0,0|2,0,1]=4 462 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,0,0,0,0,0|2,0,1]=4 464 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [1,0,0,0,0,0|2,0,1]=4 465 B9R0.1 C=CC(=O)NCCC(C)C 3eac58699bc526229809032762dcd7ee [0,1,0,0,0,0|1,0,2]=4 466 B9R0.1 C=CC(=O)NCCC(C)O 008a52cf2dca8e7c1e23b81639bb6755 [0,1,0,0,0,0|1,0,2]=4 467 B9R0.1 C=CC(=O)NCC[C@@H](C)O 28dba9c045f1f465900b10b663ac039a [0,1,0,0,0,0|1,0,2]=4 468 B9R0.1 C=CC(=O)NCC[C@H](C)O 6c52302fd5dd8f1ddb807dd5e32c4406 [0,1,0,0,0,0|1,0,2]=4 469 B9R0.1 C=CC(C)COCC(=C)C fd37c6e6bc9817ad41232bd087f99b63 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.1 C=CC(C)COCC(C)C e0135e03dc1f6256c2c2c3edfa52760f [0,1,0,0,0,0|2,0,0]=3 471 B9R0.1 C=CC(C)COCC(F)F 8f2a0a23368d8bdc3f09af8fc89cdff5 [0,1,0,0,0,0|3,0,0]=4 472 B9R0.1 C=CC(C)COCN(C)C add29249db67651c5d1e43915152de89 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.1 C=CC(C)NCCC(=C)C e34eb487dbf027376636305a7e0652c0 [0,1,0,0,0,0|2,0,1]=4 474 B9R0.1 C=CC(C)NCCC(=O)C 457f6d262ba13d08c71dcb593daa26f2 [0,1,0,0,0,0|2,0,1]=4 475 B9R0.1 C=CC(C)NCCC(C)C 20ba7a01acd10720940a856f95313f84 [0,1,0,0,0,0|2,0,0]=3 476 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [0,1,0,0,0,0|2,0,0]=3 477 B9R0.1 C=CC(C)NCCC(F)F 094053d3f99b0d478842b8a4516fb1b7 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.1 C=CC(C)NCCN(C)C 70085a3da3bd0ffaad0e9f871770c27b [0,1,0,0,0,0|3,0,0]=4 479 B9R0.1 C=CC(C)NCCS(=O)C 648faf1faec298b81e2527dc0da8b03e [0,1,0,0,0,0|3,0,0]=4 480 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [0,1,0,0,0,0|2,0,0]=3 481 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [0,1,0,0,0,0|2,0,0]=3 482 B9R0.1 C=CC(C)NCOC(C)C cb1538d503df7d5c972d56234ef9fa39 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.1 C=CC(C)OCCC(=C)C 356773487f0af1cd1ecb60e3e552f99c [0,1,0,0,0,0|2,0,1]=4 484 B9R0.1 C=CC(C)OCCC(=O)C dfb65db25ab8c59bf238c7e9df2821b1 [0,1,0,0,0,0|2,0,1]=4 485 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [0,1,0,0,0,0|2,0,0]=3 486 B9R0.1 C=CC(C)OCCC(F)F 3cb88d95606b39672a9d9869622f88aa [0,1,0,0,0,0|3,0,0]=4 487 B9R0.1 C=CC(C)OCCN(C)C bd17231a822956415678cb6054377cb4 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.1 C=CC(C)OCCS(=O)C 130900add307c22d39558e827aa6b2f0 [0,1,0,0,0,0|3,0,0]=4 489 B9R0.1 C=CC(C)OCOC(C)C 66f157e36ff0d6859d53e49bc302dee2 [0,1,0,0,0,0|3,0,0]=4 490 B9R0.1 C=CC(O)CNCC(=C)Br 88ecd68f724b7861a672851486e4d9e8 [0,1,0,0,0,0|1,0,2]=4 491 B9R0.1 C=CC(O)CNCC(=C)C 8ee4971af51517f3e1ca620778a17df0 [0,1,0,0,0,0|1,0,1]=3 492 B9R0.1 C=CC(O)CNCC(=C)Cl 87c79c5407f4bf564cf3e3a8bedbb076 [0,1,0,0,0,0|1,0,2]=4 493 B9R0.1 C=CC(O)CNCC(=C)F cc9d255b2691802b20006ef6c0541d83 [0,1,0,0,0,0|1,0,2]=4 494 B9R0.1 C=CC(O)CNCC(=O)N 7f969e29a164f855c6376cb2e32f2f74 [0,1,0,0,0,0|2,0,1]=4 495 B9R0.1 C=CC(O)CNCC(=O)O d0b59efe1792f320492cea2216816851 [0,1,0,0,0,0|2,0,1]=4 496 B9R0.1 C=CC(O)CNCC(C)C 338aa8c924f06c5274d86ba17f3164dd [0,1,0,0,0,0|1,0,0]=2 497 B9R0.1 C=CC(O)CNCC(C)O 250a0738f8893561fa0bf4fc306ff879 [0,1,0,0,0,0|1,0,0]=2 498 B9R0.1 C=CC(O)CNCC(F)F aa36d7f7de882592516f39eb767ed9a5 [0,1,0,0,0,0|2,0,0]=3 499 B9R0.1 C=CC(O)CNCN(C)C 6a61a77d3bf29ad0c0032b705f991e75 [0,1,0,0,0,0|2,0,0]=3 500 B9R0.1 C=CC(O)CNC[C@@H](C)O 4d3bcd699d7f87e5cad2ea1a194fcd40 [0,1,0,0,0,0|1,0,0]=2 501 B9R0.1 C=CC(O)CNC[C@H](C)O 265c36358ddc06b7112a1d4489e2ca2a [0,1,0,0,0,0|1,0,0]=2 502 B9R0.1 C=CC(O)CNC[N+](=O)[O-] 8c7890f4b0400f506aab2c000b6d3e21 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.1 C=C[C@H](C)OCCC(=C)C d033b03c7bdcd0d6b093d32ac3e4e26c [0,1,0,0,0,0|2,0,1]=4 504 B9R0.1 C=C[C@H](C)OCCC(=O)C 9bbd1cc0e46dfd5c6e8db01fc1773cb1 [0,1,0,0,0,0|2,0,1]=4 505 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [0,1,0,0,0,0|2,0,0]=3 506 B9R0.1 C=C[C@H](C)OCCN(C)C 7eb12cf45617fb6c3cb5f610b443d8b3 [0,1,0,0,0,0|3,0,0]=4 507 B9R0.1 C=C[C@H](C)OCCS(=O)C c6de0752999e1a8f3bd31407e83b38b1 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.1 C=C[C@H](C)OCOC(C)C 60c8a34df5d5d883dde9d1ae71f832d2 [0,1,0,0,0,0|3,0,0]=4 509 B9R0.1 CC(C)CCNC(C)C=O 3221f606f7956b43deb70e498d061682 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.1 CC(C)CCN[C@H](C)C=O 2c72716bb9100d915860d6fe0bb8b954 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,1,0,0,0,0|3,0,0]=4 512 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.1 CC(C)CNCC(O)CF b6d9011de307a0ce6eed76decf038bc8 [0,1,0,0,0,0|2,0,1]=4 514 B9R0.1 CC(C)CNCC(O)CO 70090963fc294f550f87723651f6534a [0,1,0,0,0,0|2,0,1]=4 515 B9R0.1 CC(C)CNC[C@@H](O)CO ff288feaf39d9e7defe59f5031593382 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.1 CC(C)CNC[C@H](O)CO ddf90ce95f81ac4c65caea793fcf3d10 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.1 CC(C)COCC(O)CO eb8712e8913a9c688b35e925b2e5bbea [0,1,0,0,0,0|2,0,1]=4 518 B9R0.1 CC(C)COC[C@@H](O)CO 4c6015ee7239cce21edd58afd8afe947 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.1 CC(C)COC[C@H](O)CO f0e46b188479763ee2ac8fd0426fbb01 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.1 CC(C)NCCC(O)CO 49b1f2eeb94ad6141f31352b87c6f1d7 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.1 CC(C=O)NCC[C@@H](C)O 2863e281760f2e623fa07b84044ce5a7 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.1 CC(C=O)NCC[C@H](C)O 47dc5580379526f559cc3700640942f7 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.1 CC(F)COCC(O)CO 35d83f0f2fb6dfeddb7f2d4da5fcf4b9 [0,1,0,0,0,0|2,0,1]=4 524 B9R0.1 CC(F)COC[C@@H](O)CO b41e5feedf67d4f18974abb86160a1f7 [0,1,0,0,0,0|2,0,1]=4 525 B9R0.1 CC(F)COC[C@H](O)CO cdfd95832fdac7407b30ee8c8730aa34 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.1 CC(O)CCNC(C)C=O 102e4a6aec885aac6cd0f6cd19f9a5a8 [0,1,0,0,0,0|3,0,0]=4 527 B9R0.1 CC(O)CCN[C@H](C)C=O a300521a84a916f59f3cd17f203ac23d [0,1,0,0,0,0|3,0,0]=4 528 B9R0.1 CC(O)CNCC(O)CF ba8c935bf43ec0bd9c6df70fb43f4e5c [0,1,0,0,0,0|2,0,1]=4 529 B9R0.1 CC(O)CNCC(O)CO 34956b2f4d1ab26c67115dc58a19b10c [0,1,0,0,0,0|2,0,1]=4 530 B9R0.1 CC(O)CNC[C@@H](O)CO e3183264c2c8eaeb2a8aa909d0925cf6 [0,1,0,0,0,0|2,0,1]=4 531 B9R0.1 CC(O)CNC[C@H](O)CO 5adbc90f47c6983b35db892d684e6821 [0,1,0,0,0,0|2,0,1]=4 532 B9R0.1 CC(S)COCC(O)CO 451f74235120de27169dcf91aacf8263 [0,1,0,0,0,0|2,0,1]=4 533 B9R0.1 CC(S)COC[C@@H](O)CO b7f77fb7257029ead652459528eee928 [0,1,0,0,0,0|2,0,1]=4 534 B9R0.1 CC(S)COC[C@H](O)CO b8acf7030764b8034eb399ca09665d2f [0,1,0,0,0,0|2,0,1]=4 535 B9R0.1 CCC(O)CNCC(C)C 96e939095a17e5d84294536ccba3963b [0,1,0,0,0,0|1,0,2]=4 536 B9R0.1 CCC(O)CNCC(C)O f9e9e374837b88a79d2fd4a7e9502440 [0,1,0,0,0,0|1,0,2]=4 537 B9R0.1 CCC(O)CNC[C@@H](C)O e93a46e9017ba81255d29fcb8f02d039 [0,1,0,0,0,0|1,0,2]=4 538 B9R0.1 CCC(O)CNC[C@H](C)O c3692e4e3ffac8dcd5c2ac3ffd24631b [0,1,0,0,0,0|1,0,2]=4 539 B9R0.1 CC[C@@H](O)CNCC(C)C 16fce5eb8df22979ab0b263442fac03b [0,1,0,0,0,0|1,0,2]=4 540 B9R0.1 CC[C@@H](O)CNCC(C)O 265477c30886e7b2c75115ac34cc90f2 [0,1,0,0,0,0|1,0,2]=4 541 B9R0.1 CC[C@@H](O)CNC[C@@H](C)O 2a3352cedf35a97fd41377552a19c99b [0,1,0,0,0,0|1,0,2]=4 542 B9R0.1 CC[C@@H](O)CNC[C@H](C)O 84a2edef332f32db45107038b0e1bc84 [0,1,0,0,0,0|1,0,2]=4 543 B9R0.1 C[C@@H](F)COCC(O)CO d4f4979332bd489127666ef5828968c0 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.1 C[C@@H](F)COC[C@@H](O)CO 219ac69a6c4d53cfa6aedd1e2fd4246c [0,1,0,0,0,0|2,0,1]=4 545 B9R0.1 C[C@@H](F)COC[C@H](O)CO 89acd7b94325fbb089dc50ff1830cafc [0,1,0,0,0,0|2,0,1]=4 546 B9R0.1 C[C@@H](O)CNCC(O)CF 2a733a8052b248f30eaf7e892e96756b [0,1,0,0,0,0|2,0,1]=4 547 B9R0.1 C[C@@H](O)CNCC(O)CO 9dbd5ff895e0b7f862ce3760046b2335 [0,1,0,0,0,0|2,0,1]=4 548 B9R0.1 C[C@@H](O)CNC[C@@H](O)CO 1585ae6aeb22fa35838ddbe179790ff6 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.1 C[C@@H](O)CNC[C@H](O)CO d2bbdcda3cc08b467addcf0349bc2eab [0,1,0,0,0,0|2,0,1]=4 550 B9R0.1 C[C@H](C=O)NCC[C@@H](C)O b61fc1d13b13915b53d20f0a8e3c9419 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.1 C[C@H](F)COCC(O)CO 0c29feb7c5cfde2c39a5355a91abf91e [0,1,0,0,0,0|2,0,1]=4 552 B9R0.1 C[C@H](F)COC[C@@H](O)CO 71ac3cd1390246a186d922eb0bb850b3 [0,1,0,0,0,0|2,0,1]=4 553 B9R0.1 C[C@H](F)COC[C@H](O)CO 588d542ef18f443aa058d610b800fb98 [0,1,0,0,0,0|2,0,1]=4 554 B9R0.1 C[C@H](O)CCN[C@H](C)C=O 84460b24e697c1c62e7c6e55b85b6954 [0,1,0,0,0,0|3,0,0]=4 555 B9R0.1 C[C@H](O)CNCC(O)CF 86455aff20881d8d65a57a26d011f58a [0,1,0,0,0,0|2,0,1]=4 556 B9R0.1 C[C@H](O)CNCC(O)CO e5228eaedfee1610844a5524bcec5ffc [0,1,0,0,0,0|2,0,1]=4 557 B9R0.1 C[C@H](O)CNC[C@@H](O)CO 5dc2b2b9cc1dbcf039b439491b193adf [0,1,0,0,0,0|2,0,1]=4 558 B9R0.1 C[C@H](O)CNC[C@H](O)CO 48e1347117a055c157a3784f0e8d40d6 [0,1,0,0,0,0|2,0,1]=4 559 B9R0.5 C#CCNCC(O)CC=C c91d252e7957cfb67cd81bf4353a1067 [0,1,0,0,0,0|1,0,2]=4 560 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,1,0,0,0,0|1,0,2]=4 561 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [0,1,0,0,0,0|2,0,0]=3 562 B9R0.5 C/C=C/C(C)OCCCF ac1b987741529c5bdd335e59b89f2d06 [0,1,0,0,0,0|3,0,0]=4 563 B9R0.5 C/C=C/C(C)OCCCS 2b61f736d9519d73c9d40ab845db2d35 [0,1,0,0,0,0|3,0,0]=4 564 B9R0.5 C/C=C/C(C)OCCOC 52a09a4f8db03e2677f4d95e1bb22a34 [0,1,0,0,0,0|3,0,0]=4 565 B9R0.5 C/C=C/C(C)OCCSC d4976d82b99480bace2bc9c12b6552b0 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.5 C/C=C/C(C)OCOCC 99cb76be79ee3a1d90bc69d59b4bce92 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [0,1,0,0,0,0|1,0,2]=4 568 B9R0.5 C=CCC(C)CNCCBr 579e24f11dc481190dd77a5b71f92ec5 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.5 C=CCC(C)CNCCC 57145e6cde5992e28644e2005aca4a52 [0,1,0,0,0,0|2,0,0]=3 570 B9R0.5 C=CCC(C)CNCCF a4f04e5410fcf49baa3a62119d68519c [0,1,0,0,0,0|3,0,0]=4 571 B9R0.5 C=CCC(C)CNCCI 066295a8be76eaa5ae60b63d59588822 [0,1,0,0,0,0|3,0,0]=4 572 B9R0.5 C=CCC(C)CNCCO b1c76f86992fcbee1b7d1c7d41290de7 [0,1,0,0,0,0|3,0,0]=4 573 B9R0.5 C=CCC(C)CNCCS ac745a29f55a2c001b7af56a7d3d8b81 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [0,1,0,0,0,0|2,0,0]=3 575 B9R0.5 C=CCC(C)COCCF 12ad3354c9de7333ac2f395be6b2a0bc [0,1,0,0,0,0|3,0,0]=4 576 B9R0.5 C=CCC(C)COCCS 76896f423b3164fe05e153371b14e4c2 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.5 C=CCC(C)COCOC bb9482e3dcc46d0ac81b647998d81421 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.5 C=CCC(C)COCSC 7fbb20da70771cf299badf09542d878a [0,1,0,0,0,0|3,0,0]=4 579 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [0,1,0,0,0,0|2,0,0]=3 580 B9R0.5 C=CCC(C)OCCCF 4edc67beb73611d86e6b9151e356bc4c [0,1,0,0,0,0|3,0,0]=4 581 B9R0.5 C=CCC(C)OCCCS 8fb58b3b86c0c5267a4ab1f2d224c935 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.5 C=CCC(C)OCCOC e4ec277a3d48211c8ff932bd180ca329 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.5 C=CCC(C)OCCSC b0808a439ccba10c6a3608d770505a63 [0,1,0,0,0,0|3,0,0]=4 584 B9R0.5 C=CCC(C)OCOCC d18e6b880e8a72ad6adcddc7e778e698 [0,1,0,0,0,0|3,0,0]=4 585 B9R0.5 C=CCC(O)CNCC#N e10acdd4031389c007e5914d0248f563 [0,1,0,0,0,0|2,0,1]=4 586 B9R0.5 C=CCC(O)CNCC=O 0c36bc30048675f7e94bfbad8cc57e64 [0,1,0,0,0,0|2,0,1]=4 587 B9R0.5 C=CCC(O)CNCCC bdbda0676a7bef81a38b347a29437e3c [0,1,0,0,0,0|1,0,0]=2 588 B9R0.5 C=CCC(O)CNCCF 9dcc776fa3524490f0f7d91813059634 [0,1,0,0,0,0|2,0,0]=3 589 B9R0.5 C=CCC(O)CNCCO 18f75708539087b7bba572b0d1a05faf [0,1,0,0,0,0|2,0,0]=3 590 B9R0.5 C=CCC(O)CNCCS 70f3cee1897da3c3317f172919aa212d [0,1,0,0,0,0|2,0,0]=3 591 B9R0.5 C=CCC(O)CNCOC af83f880ee116aa53db1bc30a63e177f [0,1,0,0,0,0|2,0,0]=3 592 B9R0.5 C=CCC(O)CNCSC cb287e10cbbe7486aae44d2f1dc9f7b6 [0,1,0,0,0,0|2,0,0]=3 593 B9R0.5 C=CCN(C)CCCCC 0b10691c54227c175c8cdf0755b7f63b [0,1,0,0,0,0|2,0,0]=3 594 B9R0.5 C=CCN(C)CCCCF dc9558a7f2b55afe34a0dbdee2fe1b46 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.5 C=CCN(C)CCCCO 74efae547ca8f949258fbbc30ab6e258 [0,1,0,0,0,0|3,0,0]=4 596 B9R0.5 C=CCN(C)CCCOC 1f0509f5c1233f015dc2ab9d9a31cc4f [0,1,0,0,0,0|3,0,0]=4 597 B9R0.5 C=CCN(C)CCCSC 565a7cf886efa00562c221c67e8152ec [0,1,0,0,0,0|3,0,0]=4 598 B9R0.5 C=CCN(C)CCOCC 96d440315b1f17bbe72c744107c901b7 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.5 C=CCN(C)CCSCC caa7864c185b4173377f72037b618c1d [0,1,0,0,0,0|3,0,0]=4 600 B9R0.5 C=CCNCC(O)CC=C f1455221197e706ade8581ead0d1a203 [0,1,0,0,0,0|1,0,2]=4 601 B9R0.5 C=CC[C@@H](C)OCCCC b20fd45ea1dd5c3cccb6f7a22cc0e480 [0,1,0,0,0,0|2,0,0]=3 602 B9R0.5 C=CC[C@@H](C)OCCCF c2e0a3930e8897edb4f506c81640d196 [0,1,0,0,0,0|3,0,0]=4 603 B9R0.5 C=CC[C@@H](C)OCCCS f7ee952b95448df3da874ad3d52e6a5a [0,1,0,0,0,0|3,0,0]=4 604 B9R0.5 C=CC[C@@H](C)OCCOC e752d2a4650c354823dd631bb7468314 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.5 C=CC[C@@H](C)OCCSC 47e9099c5bf04905aeb7f684d178ec35 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.5 C=CC[C@@H](C)OCOCC e88eac3aa749a45b6537d7a17edcb80d [0,1,0,0,0,0|3,0,0]=4 607 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [0,1,0,0,0,0|2,0,0]=3 608 B9R0.5 C=CC[C@H](C)OCCCF a2105db59e2af997db1aac1c4cfda0c8 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.5 C=CC[C@H](C)OCCCS 5dd0c5da5fcc540ac696a84caca62592 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.5 C=CC[C@H](C)OCCOC c40ce18f431d1bd81b31b3066c724ae2 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.5 C=CC[C@H](C)OCCSC ca7913c2f82d58437a355c2ae2d17341 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.5 C=CC[C@H](C)OCOCC 77674adcd34848cc46a039f770a66879 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,1,0,0,0,0|1,0,2]=4 614 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,1,0,0,0,0|1,0,2]=4 615 B9R0.5 CC=CC(C)OCCCC ac5240649470c3f452111f552f4c343a [0,1,0,0,0,0|2,0,0]=3 616 B9R0.5 CC=CC(C)OCCCF 737c5099987bd0e388b74970da78e978 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.5 CC=CC(C)OCCCS 9071fbb3c1392452a2c73fe289eef342 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.5 CC=CC(C)OCCOC aadec6afac119b6494b05572dd66ea5f [0,1,0,0,0,0|3,0,0]=4 619 B9R0.5 CC=CC(C)OCCSC 967e621c21486d621f979846d339e532 [0,1,0,0,0,0|3,0,0]=4 620 B9R0.5 CC=CC(C)OCOCC f87a4b571ea2ced527f9ae0582edd9f6 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.5 CCCCCC(C)NC#N c46027b8156e7626d110726309106816 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [0,1,0,0,0,0|2,0,0]=3 623 B9R0.5 CCCCCC(C)NCC 212b1664d44bb18b1fa24a16f6d72877 [0,1,0,0,0,0|1,0,2]=4 624 B9R0.5 CCCCCC(C)NCF d3dd3d446c50183840c245863d028fda [0,1,0,0,0,0|2,0,1]=4 625 B9R0.5 CCCCCC(C)NCO 79997f757bd22c3676dd0e07aa87d23c [0,1,0,0,0,0|2,0,1]=4 626 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [0,1,0,0,0,0|1,0,2]=4 627 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [0,1,0,0,0,0|2,0,1]=4 629 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,1,0,0,0,0|1,0,2]=4 630 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.5 CCCCC[C@H](C)NC#N 74d944a4637270256c1b1701f57a31b2 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [0,1,0,0,0,0|2,0,0]=3 633 B9R0.5 CCCCC[C@H](C)NCC 0e1700ce314a2064321bc997ef4f9348 [0,1,0,0,0,0|1,0,2]=4 634 B9R0.5 CCCCC[C@H](C)NCF 69aa97aecc0791c0b87af3dfc98d2c2b [0,1,0,0,0,0|2,0,1]=4 635 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [0,1,0,0,0,0|2,0,1]=4 636 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,1,0,0,0,0|1,0,2]=4 637 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,1,0,0,0,0|2,0,1]=4 638 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [0,1,0,0,0,0|1,0,2]=4 639 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [0,1,0,0,0,0|1,0,2]=4 640 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [0,1,0,0,0,0|1,0,2]=4 641 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [0,1,0,0,0,0|1,0,2]=4 642 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [0,1,0,0,0,0|1,0,2]=4 643 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [0,1,0,0,0,0|1,0,2]=4 644 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [0,1,0,0,0,0|1,0,2]=4 645 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [0,1,0,0,0,0|1,0,2]=4 646 B9R0.5 CCCNCC(O)CC#N 4a012df076e5dc5340c3f00cf736cc1d [0,1,0,0,0,0|1,0,2]=4 647 B9R0.5 CCCNCC(O)CCC 3d957147f5d37c2bce44ac77f80f84a5 [0,1,0,0,0,0|1,0,2]=4 648 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [0,1,0,0,0,0|1,0,2]=4 649 B9R0.5 CCCNC[C@@H](O)CC#N 31e6dfdd9002d4a802ff2dc4afb38e10 [0,1,0,0,0,0|1,0,2]=4 650 B9R0.5 CCCNC[C@@H](O)CCO 0911566ceb0cc95fa86b387a531110c6 [0,1,0,0,0,0|1,0,2]=4 651 B9R0.5 CCCNC[C@H](O)CC#N bf631701a1680262ae383a65f7c5fdd2 [0,1,0,0,0,0|1,0,2]=4 652 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [0,1,0,0,0,0|1,0,2]=4 653 B9R0.5 CCCOC[C@@H](O)CCO 8f4ac1d9a59c7be3b1d0e4ed72d56dee [0,1,0,0,0,0|1,0,2]=4 654 B9R0.8 C=CC(=O)N(C)CCCC b6746789bae1db9fe64148b7a62e68a4 [0,1,0,0,0,0|1,0,2]=4 655 B9R0.8 C=CC(C)N(C)CCCC 52b35ff6c1ba952207a34d2447c3fdae [0,1,0,0,0,0|2,0,0]=3 656 B9R0.8 C=CC(C)N(C)CCCO 79fecf7c24e4f16307aee8103a895ec7 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.8 C=CC(C)N(C)CCOC e073dea85a97d3cdaa651ce1ecafa98f [0,1,0,0,0,0|3,0,0]=4 658 B9R0.8 C=CC(C)N(C)CCSC 276329b6bf8991514f66abea811256ca [0,1,0,0,0,0|3,0,0]=4 659 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 827ec7cab90f31f3afa0ea32ccf45fce [0,1,0,0,0,0|2,0,0]=3 660 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCF cd24e272f0c035139ef9c015c419e085 [0,1,0,0,0,0|3,0,0]=4 661 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCS 0f9ffb21a21542db8cf88d61c54a1be9 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.8 C=C[C@@H](C)[C@@H](C)OCOC 063f15cb255d840f6f34846773f7f0e9 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.8 C=C[C@@H](C)[C@@H](C)OCSC 4469ca9ed03804b5e73899143bb1de9b [0,1,0,0,0,0|3,0,0]=4 664 B9R0.8 C=C[C@@H](C)[C@H](C)OCCC 26696a0db2f6d81cc3e01eed135a2816 [0,1,0,0,0,0|2,0,0]=3 665 B9R0.8 C=C[C@@H](C)[C@H](C)OCCF f98921c19c207841cb74695ac7e556ea [0,1,0,0,0,0|3,0,0]=4 666 B9R0.8 C=C[C@@H](C)[C@H](C)OCCS a1305a5bb92a8efb5ef8674b76d1de29 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.8 C=C[C@@H](C)[C@H](C)OCOC 7378ef2cce566322857190cc01d5f414 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.8 C=C[C@@H](C)[C@H](C)OCSC 992e3428a867a134348214354ebe5bf3 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.8 C=C[C@H](C)[C@@H](C)OCCC c48af0bd466e4283e2735227c964c011 [0,1,0,0,0,0|2,0,0]=3 670 B9R0.8 C=C[C@H](C)[C@@H](C)OCCF a60243182162c335857afded215d9e2a [0,1,0,0,0,0|3,0,0]=4 671 B9R0.8 C=C[C@H](C)[C@@H](C)OCCS 895ba2b5ab599129ef39dd844bca1c98 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.8 C=C[C@H](C)[C@@H](C)OCOC 6284b20e6d56058a5c2f0d4e6298e752 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.8 C=C[C@H](C)[C@@H](C)OCSC 443e53c2f81eac7c5d7ce1247acf2464 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.8 C=C[C@H](C)[C@H](C)OCCC 636f3ee10897e8ce8a9a125b741cdfa4 [0,1,0,0,0,0|2,0,0]=3 675 B9R0.8 C=C[C@H](C)[C@H](C)OCCF 423db057673ad9ef464067b2248c511d [0,1,0,0,0,0|3,0,0]=4 676 B9R0.8 C=C[C@H](C)[C@H](C)OCCS 9041f499448cba5c214148cabef5f8a1 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.8 C=C[C@H](C)[C@H](C)OCOC e28970169b51664f216f869cfb069c1b [0,1,0,0,0,0|3,0,0]=4 678 B9R0.8 C=C[C@H](C)[C@H](C)OCSC dd02ebff130df0b5a2db38f8030802c4 [0,1,0,0,0,0|3,0,0]=4 679 B9R0.8 CCCCN(C)C(C)C=O 3e234b787b915a4fa23d538586656631 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.8 CCCCN(C)[C@H](C)C=O 5a3e8452b96b13acaa984c292628b701 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.20 C=CC(C)(C)COCCC 2f45c6229ebf814a2fddeb8a9b5939eb [0,1,0,0,0,0|2,0,0]=3 682 B9R0.20 C=CC(C)(C)COCCF d810415e9b3d4afc1b6582fbfe15176d [0,1,0,0,0,0|3,0,0]=4 683 B9R0.20 C=CC(C)(C)COCCS de9e6f8c8f932f448d5de18d617a0f5b [0,1,0,0,0,0|3,0,0]=4 684 B9R0.20 C=CC(C)(C)COCOC 77442fef89455e3c31f0d96e494679c3 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.20 C=CC(C)(C)COCSC e6874a06f1df83c94afe99be8559fc96 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.20 CCCNCC(C)(O)CC 4d55f8eff03a0b17780b57f5315de9e5 [0,1,0,0,0,0|1,0,2]=4 687 B9R0.20 CCCOCC(C)(C)C=O 3ce894d9dad9d327c3a53b08ab0b66e9 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.24 C#CC(C)NCC(O)C=C f3b7f788d4405a61ed53c3a77e13a435 [0,1,0,0,0,0|1,0,2]=4 689 B9R0.24 C=CC(=O)NCC(C)CC 741b92221edb49a5786b80da6b26f931 [0,1,0,0,0,0|1,0,2]=4 690 B9R0.24 C=CC(=O)NCC(O)CC b7e1f3cdc2c992d954fae7c24caef83b [0,1,0,0,0,0|1,0,2]=4 691 B9R0.24 C=CC(=O)NC[C@@H](C)CC ed2dd0e0ee88d18345665ce5dc441f7e [0,1,0,0,0,0|1,0,2]=4 692 B9R0.24 C=CC(=O)NC[C@H](O)CC 1eef8d96e2aed42a7bc2a42dc790e786 [0,1,0,0,0,0|1,0,2]=4 693 B9R0.24 C=CC(C)COC(C)CC c32ca32440c49b307844964bfdcec3fa [0,1,0,0,0,0|2,0,0]=3 694 B9R0.24 C=CC(C)NCC(=C)CC 3ee848bd40bbb4267ac8ed7b285691c6 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.24 C=CC(C)NCC(=O)CC 5c7251900eb10597931ab8f3cda7e713 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.24 C=CC(C)NCC(Br)CBr 3559c39fa82163b785a6a67dc8138c26 [0,1,0,0,0,0|3,0,0]=4 697 B9R0.24 C=CC(C)NCC(C)CC fe20f45bf5882573a1b68362b8df28de [0,1,0,0,0,0|2,0,0]=3 698 B9R0.24 C=CC(C)NCC(C)CO d20c2bbbddf637ba7664f0ad57b0f32e [0,1,0,0,0,0|3,0,0]=4 699 B9R0.24 C=CC(C)NCC(C)OC 8a66c897b17fcd52ca2b1d0be70abb0e [0,1,0,0,0,0|3,0,0]=4 700 B9R0.24 C=CC(C)NCC(F)CO 5ff7d05c9d11243e54cd008232ef7692 [0,1,0,0,0,0|3,0,0]=4 701 B9R0.24 C=CC(C)NCC(O)CC a3157a78d0b905ffdee15eb5e168e14f [0,1,0,0,0,0|2,0,0]=3 702 B9R0.24 C=CC(C)NCC(O)CF fadac5b75bbbdeddd26ef789f76e9d9a [0,1,0,0,0,0|3,0,0]=4 703 B9R0.24 C=CC(C)NCC(O)CO c597d0cc8792e79a558ca2b1a3f09ea7 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.24 C=CC(C)NC[C@@H](C)CC 1e5ccb0fec6029df124fd456ac8e5632 [0,1,0,0,0,0|2,0,0]=3 705 B9R0.24 C=CC(C)NC[C@@H](C)CO d66d45a862b9eb1170ec062047539654 [0,1,0,0,0,0|3,0,0]=4 706 B9R0.24 C=CC(C)NC[C@@H](C)OC 5b50895e7eaf3041aec93bb607b5fddc [0,1,0,0,0,0|3,0,0]=4 707 B9R0.24 C=CC(C)NC[C@@H](F)CO 8056842a7490d75745c2500f5646a8a6 [0,1,0,0,0,0|3,0,0]=4 708 B9R0.24 C=CC(C)NC[C@@H](O)CO da3af330f768c93af480073162ac34fa [0,1,0,0,0,0|3,0,0]=4 709 B9R0.24 C=CC(C)NC[C@H](C)CC 55f054a49b84e81d49b74ebb57f3dee7 [0,1,0,0,0,0|2,0,0]=3 710 B9R0.24 C=CC(C)NC[C@H](C)CO 4bee8b43a03c46a0374c7aa6de4a669c [0,1,0,0,0,0|3,0,0]=4 711 B9R0.24 C=CC(C)NC[C@H](C)OC f2cab0d583a66704ca953df9aac66e43 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.24 C=CC(C)NC[C@H](F)CO cb13900f3d34915f0225abcf5b05d021 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.24 C=CC(C)NC[C@H](O)CC 130b04f932ad35c738618afb02c8211d [0,1,0,0,0,0|2,0,0]=3 714 B9R0.24 C=CC(C)NC[C@H](O)CO 33a0c82452cfcfb30798b79071a30e80 [0,1,0,0,0,0|3,0,0]=4 715 B9R0.24 C=CC(C)OCC(=C)CC 18c08db54b391cd2511ad41b419900d1 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.24 C=CC(C)OCC(=O)CC 8a6123ac0ed3ab4e117b33e0b895afaa [0,1,0,0,0,0|2,0,1]=4 717 B9R0.24 C=CC(C)OCC(Br)CBr 3ef2d3a90963757530462c2b0a1b0954 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.24 C=CC(C)OCC(C)CC c0add65e24b120c78bb757c80b1b366f [0,1,0,0,0,0|2,0,0]=3 719 B9R0.24 C=CC(C)OCC(C)OC 9b37e73a50dfc9953fd2df9b166629c0 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.24 C=CC(C)OCC(Cl)CCl 4ba3a6ecdc698801c1dd7ad600bc09dd [0,1,0,0,0,0|3,0,0]=4 721 B9R0.24 C=CC(C)OCC(O)CO 81dfca08c3a05f8838f581d69a7fec14 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.24 C=CC(C)OCC(S)CS 3b226ed5bd1489f1229b05cd43d3e13d [0,1,0,0,0,0|3,0,0]=4 723 B9R0.24 C=CC(C)OC[C@@H](C)CC 3dc28a974ae3b1da4f51caa8bfd19440 [0,1,0,0,0,0|2,0,0]=3 724 B9R0.24 C=CC(C)OC[C@@H](C)OC 02980827bdcba30cfde3dacbb79ed322 [0,1,0,0,0,0|3,0,0]=4 725 B9R0.24 C=CC(C)OC[C@@H](O)CO 3bd73391fa47359f2f65ecefb01248c0 [0,1,0,0,0,0|3,0,0]=4 726 B9R0.24 C=CC(C)OC[C@H](C)CC 18159e56f1b5e572330dc73ac44537ff [0,1,0,0,0,0|2,0,0]=3 727 B9R0.24 C=CC(C)OC[C@H](C)OC e0bc630328fb61dee4543195b087a738 [0,1,0,0,0,0|3,0,0]=4 728 B9R0.24 C=CC(C)OC[C@H](O)CO 81779b245dc8fa6e40638540f98b2b04 [0,1,0,0,0,0|3,0,0]=4 729 B9R0.24 C=CC(O)CNC(=O)CC 5dae01518c4bb494dbea2d0cab69542a [0,1,0,0,0,0|1,0,1]=3 730 B9R0.24 C=CC(O)CNC(=O)CF 65d1caac326c7fba97fd00133b18969f [0,1,0,0,0,0|2,0,1]=4 731 B9R0.24 C=CC(O)CNC(=O)CO c238e57d0ffe7e23546016fbd41dae34 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.24 C=CC(O)CNC(=O)CS 134cf46a9950b85a48f93dfa14aedad5 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.24 C=CC(O)CNC(C)C#N 6649fc637fb3f9df0ffb3fabd887e163 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.24 C=CC(O)CNC(C)C=C b6d6ae010a50c78f10aa75a36379cc3c [0,1,0,0,0,0|1,0,2]=4 735 B9R0.24 C=CC(O)CNC(C)C=O 59afe4c6f2779d21fab3c6e0646bac52 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.24 C=CC(O)CNC(C)CC ea5dbe4f19a0c85d30995687d6fda584 [0,1,0,0,0,0|1,0,0]=2 737 B9R0.24 C=CC(O)CNC(C)CO 90be5c8e3ad49ebb705d26cf56f1678f [0,1,0,0,0,0|2,0,0]=3 738 B9R0.24 C=CC(O)CNC(F)C#N 29468d6280e44a2d057004d6a983aa37 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.24 C=CC(O)CN[C@@H](C)CO e0ff3276762dcd81393daf098ac46dac [0,1,0,0,0,0|2,0,0]=3 740 B9R0.24 C=CC(O)CN[C@H](C)C=O dbbe9c32bdeae38f7f247e971c796a37 [0,1,0,0,0,0|2,0,1]=4 741 B9R0.24 C=CC(O)CN[C@H](C)CO 0df3499a85b7eb89e56fa7d4aa2754e0 [0,1,0,0,0,0|2,0,0]=3 742 B9R0.24 C=C[C@H](C)OCC(=C)CC e27128e21d4aac9fe16d8811e3a206d9 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.24 C=C[C@H](C)OCC(=O)CC b842eb9de1737f6179909f7de3bc6da4 [0,1,0,0,0,0|2,0,1]=4 744 B9R0.24 C=C[C@H](C)OCC(C)CC d4fdd930238282ead953f9eb3cededa9 [0,1,0,0,0,0|2,0,0]=3 745 B9R0.24 C=C[C@H](C)OCC(C)OC 885edbef1dd5d551e2d37d4b9dcb372e [0,1,0,0,0,0|3,0,0]=4 746 B9R0.24 C=C[C@H](C)OCC(O)CO 506f2c62e46e38fd7ee9d25febec1668 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.24 C=C[C@H](C)OC[C@@H](C)CC 2b01f611d24ae49c477ec5e85877646d [0,1,0,0,0,0|2,0,0]=3 748 B9R0.24 C=C[C@H](C)OC[C@@H](C)OC 2e0e1c3279424091addb43667267d7db [0,1,0,0,0,0|3,0,0]=4 749 B9R0.24 C=C[C@H](C)OC[C@@H](O)CO 1bdd31cb5a7dc2fafb7a64539184ccae [0,1,0,0,0,0|3,0,0]=4 750 B9R0.24 C=C[C@H](C)OC[C@H](C)CC 327108a7f2c061e40667dd59884d1895 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.24 C=C[C@H](C)OC[C@H](C)OC 82309e699bcd82e79373f78ca5218e1b [0,1,0,0,0,0|3,0,0]=4 752 B9R0.24 C=C[C@H](C)OC[C@H](O)CO a69468cd931b60ebefe48b6e662306f7 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.24 CCC(C)CNC(C)C=O 62ad6e2a378b2a7ff0c7a3bfb72f8013 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.24 CCC(C)CN[C@H](C)C=O 5c0bf9deb92ef3f8c88fc7010ce07878 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.24 CCC(C)COC(C)C=O 5c5a73b9937517abbe965da0b0e38e6c [0,1,0,0,0,0|3,0,0]=4 756 B9R0.24 CCC(C)CO[C@H](C)C=O b107a332f74d8f7084cf421a3bcce3bb [0,1,0,0,0,0|3,0,0]=4 757 B9R0.24 CCC(C)NCC(O)CF 19498ab851935d8e587d4350a57d77b0 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.24 CCC(C)NCC(O)CO 1def5b3c6f201504b5f100e78edef563 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.24 CCC(C)NC[C@@H](O)CO 86898e6003e103b2d3bdfdd737dba4fc [0,1,0,0,0,0|2,0,1]=4 760 B9R0.24 CCC(C)NC[C@H](O)CC e8641f1a2c1383fa85092a9b9417de65 [0,1,0,0,0,0|1,0,2]=4 761 B9R0.24 CCC(C)NC[C@H](O)CO a19d325e334ea089cb7c8e6edd38b607 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.24 CCC(C)OCC(O)CO 31c451bb8ae3e0525bd60fdae3c6e861 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.24 CCC(C)OC[C@@H](O)CO 85847e5e6dc8536622094eeced903a10 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.24 CCC(C)OC[C@H](O)CO e71e155c211f81233adcdadf9441ee67 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.24 CCC(O)CNC(C)C=O d1139f75c5402fe75c55947d71a5112b [0,1,0,0,0,0|3,0,0]=4 766 B9R0.24 CCC(O)CNC(C)CC af4c3c2f20184c76e4272776e71685b2 [0,1,0,0,0,0|1,0,2]=4 767 B9R0.24 CCC(O)CN[C@@H](C)CC e3192934c88562fb09a91faa50134232 [0,1,0,0,0,0|1,0,2]=4 768 B9R0.24 CCC(O)CN[C@H](C)C=O 71cc8a32e93871f78a640902506ec821 [0,1,0,0,0,0|3,0,0]=4 769 B9R0.24 CCC(O)CN[C@H](C)CC 1205a7481d6c60973a837961fa633580 [0,1,0,0,0,0|1,0,2]=4 770 B9R0.24 CC[C@@H](C)COC(C)C=O 5f2a423d5e84e84165cad52616ebe06a [0,1,0,0,0,0|3,0,0]=4 771 B9R0.24 CC[C@@H](C)CO[C@H](C)C=O 94e3cf2f57eaf39351c0c89797af4a14 [0,1,0,0,0,0|3,0,0]=4 772 B9R0.24 CC[C@@H](C)NCC(O)CF 026efe9cc3580b0e51a89a5ed6411343 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.24 CC[C@@H](C)NCC(O)CO 742a3eef539a4b8c0aa23b681e517ea3 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.24 CC[C@@H](C)NC[C@@H](O)CO 40997326e1aa5003269d6f53432d2446 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.24 CC[C@@H](C)NC[C@H](O)CO 18482b3b717fed9c6181db7cc2f20a7f [0,1,0,0,0,0|2,0,1]=4 776 B9R0.24 CC[C@@H](C)OCC(O)CO ba440ae4bc41314212717304c17c469e [0,1,0,0,0,0|2,0,1]=4 777 B9R0.24 CC[C@@H](C)OC[C@@H](O)CO e3d18fffeae6598369a01293f5e0d290 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.24 CC[C@@H](C)OC[C@H](O)CO 8247142430650723991e3322e67f2afc [0,1,0,0,0,0|2,0,1]=4 779 B9R0.24 CC[C@@H](O)CNC(C)C=O 15630ab34aa0511c3714811a2b8b8303 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.24 CC[C@@H](O)CN[C@H](C)C=O 26be3d31cd034305ea3c23ed86bbdb05 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.24 CC[C@H](C)CNC(C)C=O 812d49fa4c5a73a68e7fcf555a71b1df [0,1,0,0,0,0|3,0,0]=4 782 B9R0.24 CC[C@H](C)CN[C@H](C)C=O 9b887330b4902a8d43be158458c30884 [0,1,0,0,0,0|3,0,0]=4 783 B9R0.24 CC[C@H](C)COC(C)C=O 1f3483513eefdafb9d5d2417472574e7 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.24 CC[C@H](C)CO[C@H](C)C=O 9f77b7292d3150efa78f5831c5171993 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.24 CC[C@H](C)NCC(O)CF 32671cba9f74571ce0d03f9ccdae5163 [0,1,0,0,0,0|2,0,1]=4 786 B9R0.24 CC[C@H](C)NCC(O)CO e618846998fa626421c29247d3463b21 [0,1,0,0,0,0|2,0,1]=4 787 B9R0.24 CC[C@H](C)NC[C@@H](O)CO 91c29dcacc0f79cc4ea7b62d2bb24524 [0,1,0,0,0,0|2,0,1]=4 788 B9R0.24 CC[C@H](C)NC[C@H](O)CO 108d488633c04314ffd7c2daf6c1e301 [0,1,0,0,0,0|2,0,1]=4 789 B9R0.24 CC[C@H](C)OCC(O)CO d3f8c511ce80b5df149715a02efb2f74 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.24 CC[C@H](C)OC[C@@H](O)CO 3c2f068a7cebc41249fcd05efa7a4a5d [0,1,0,0,0,0|2,0,1]=4 791 B9R0.24 CC[C@H](C)OC[C@H](O)CO 8f0b259092d901c38dc080500d5cf382 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.34 C=CC(=O)NC(C)CCC 5ac77412dce7bf0021b564aebcc19f5a [0,1,0,0,0,0|1,0,2]=4 793 B9R0.34 C=CC(=O)N[C@@H](C)CCC 679261b3434e976ef3fab88d3604d028 [0,1,0,0,0,0|1,0,2]=4 794 B9R0.34 C=CC(C)NC(=O)CCC dace3a2f489dec5594f350050e771d82 [0,1,0,0,0,0|2,0,1]=4 795 B9R0.34 C=CC(C)NC(C)CCC 6a1c3c1999c69f04d3b25e90f1be6621 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.34 C=CC(C)NC(C)CCO be9ee016f2eda7e40a155944c25b9342 [0,1,0,0,0,0|3,0,0]=4 797 B9R0.34 C=CC(C)NC(C)COC 169c12686506a83c7d788e6d13329974 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.34 C=CC(C)N[C@@H](C)CCC f0020ed0874b63e820f89c771fbd2e9f [0,1,0,0,0,0|2,0,0]=3 799 B9R0.34 C=CC(C)N[C@@H](C)CCO ae9638b172f3eec6100c40db196781da [0,1,0,0,0,0|3,0,0]=4 800 B9R0.34 C=CC(C)N[C@@H](C)COC d62ff17b6ed01bfc769c9615d68b3496 [0,1,0,0,0,0|3,0,0]=4 801 B9R0.34 C=CC(C)N[C@H](C)CCO c3ae315708d5c2eadc511f7cbfa7c617 [0,1,0,0,0,0|3,0,0]=4 802 B9R0.34 C=CC(C)N[C@H](C)COC e8b891eb682ffa8be7bef0a6262db5e9 [0,1,0,0,0,0|3,0,0]=4 803 B9R0.34 C=CC(C)OC(=S)CCC 88b8ea1e45dba4c26f76814e633fff94 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.34 C=CC(C)OC(C)CCC d6f08c125bcf1577f22bf702086a62cf [0,1,0,0,0,0|2,0,0]=3 805 B9R0.34 C=CC(C)OC(C)COC 6be89d0676654d5f41fd9d4ff1e1a28b [0,1,0,0,0,0|3,0,0]=4 806 B9R0.34 C=CC(C)OC(C)CSC b6d4f9cb9cf04afc5fa3655a3f5bad91 [0,1,0,0,0,0|3,0,0]=4 807 B9R0.34 C=CC(C)O[C@@H](C)CCC e5d1a762773464f3725e73ab2451741c [0,1,0,0,0,0|2,0,0]=3 808 B9R0.34 C=CC(C)O[C@@H](C)COC 640c9ff32767fc3b8c96de6edf6edea8 [0,1,0,0,0,0|3,0,0]=4 809 B9R0.34 C=CC(C)O[C@H](C)CCC f6c8ff9ae5dbe3255e805f837fe04e46 [0,1,0,0,0,0|2,0,0]=3 810 B9R0.34 C=CC(C)O[C@H](C)COC 9d9ee0a65da8a92bc70ae7af9ead3c55 [0,1,0,0,0,0|3,0,0]=4 811 B9R0.34 C=C[C@H](C)OC(C)CCC b5f2b2e4d7ddfe2c9e5864501cdbe6b3 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.34 C=C[C@H](C)OC(C)COC 345ebd0ba5f604695880c5ffe62b6b86 [0,1,0,0,0,0|3,0,0]=4 813 B9R0.34 CCCC(C)NC(C)C=O fa7cc0e9df731059b4fa525e747f4a8b [0,1,0,0,0,0|3,0,0]=4 814 B9R0.34 CCCC(C)N[C@H](C)C=O 149fb08ab35e8b46e1b2f1a31d97c163 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.34 CCCC(C)OC(C)C=O daa250189bd969a5f64dfbc8ab581207 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.34 CCCC(C)O[C@H](C)C=O b8de606158b860c81fe72374e1d555f3 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.34 CCCN(C)CC(O)CC 4f8a4ae5c3b86c2b9e180f5c44817fff [0,1,0,0,0,0|1,0,2]=4 818 B9R0.34 CCCN(C)CC(O)CF 82db18ece3861565c6d3bf7fbbeb8b05 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.34 CCCN(C)CC(O)CO 5b87c27564f72e7671fb8f18663cd6c1 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.34 CCCN(C)C[C@@H](O)CO 349b631faa57321ba3aa80b54b020065 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.34 CCCN(C)C[C@H](O)CO fb4772b807d2a488378231a7dd3453bd [0,1,0,0,0,0|2,0,1]=4 822 B9R0.34 CCC[C@@H](C)OC(C)C=O 1bce1d2e6c195c4eb320e943394be0de [0,1,0,0,0,0|3,0,0]=4 823 B9R0.34 CCC[C@@H](C)O[C@H](C)C=O eabc786dfb91bb3793575b2f2a9a66e4 [0,1,0,0,0,0|3,0,0]=4 824 B9R0.34 CCC[C@H](C)NC(C)C=O 7853cb57b661b3764e5cd13b85390ea4 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.34 CCC[C@H](C)N[C@H](C)C=O a16ab6302ebec20e2ae941420595fc8b [0,1,0,0,0,0|3,0,0]=4 826 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,1,0,0,0,0|3,0,0]=4 827 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,1,0,0,0,0|3,0,0]=4 828 B9R0.46 C#CC(C)NCCCCC 21e7b66ce14413a2e8b458b012c3230d [0,1,0,0,0,0|1,0,2]=4 829 B9R0.46 C#CC(C)OCCCCC 76b6ee9437b089f126e28f482afa7ff9 [0,1,0,0,0,0|1,0,2]=4 830 B9R0.46 C#CCCCNC(C)C=C 1c5ee068af7b0a47e736891c5b95ea47 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.46 C#CCCCOC(C)C=C 7879e2dc31c940eb898e5e14eed3ebe2 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.46 C#CCCCO[C@@H](C)C=C b5161bc556e2d7c7837e7fb6efcb7f51 [0,1,0,0,0,0|1,0,2]=4 833 B9R0.46 C#CCCNCC(O)C=C 597166b8e8dd461f78318115a120ab29 [0,1,0,0,0,0|0,0,2]=3 834 B9R0.46 C#CCCOCC(C)C=C 008afdca6f45e4d0969215a8b8ca6845 [0,1,0,0,0,0|1,0,2]=4 835 B9R0.46 C#C[C@@H](C)NCCCCC 9cd6488054503f17b4a16f01573640bb [0,1,0,0,0,0|1,0,2]=4 836 B9R0.46 C#C[C@@H](C)OCCCCC 3c34864980631567cd4915bec8682212 [0,1,0,0,0,0|1,0,2]=4 837 B9R0.46 C#C[C@H](C)NCCCCC 1ccbdfcf5e66dd26e5a3afabafb965f8 [0,1,0,0,0,0|1,0,2]=4 838 B9R0.46 C#C[C@H](C)OCCCCC 91d302487070c0e6a0a84637d96b6210 [0,1,0,0,0,0|1,0,2]=4 839 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [0,1,0,0,0,0|0,0,2]=3 841 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [0,1,0,0,0,0|1,0,2]=4 842 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [0,1,0,0,0,0|1,0,2]=4 843 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [0,1,0,0,0,0|1,0,2]=4 844 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [0,1,0,0,0,0|1,0,2]=4 845 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,1,0,0,0,0|1,0,2]=4 846 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [0,1,0,0,0,0|1,0,2]=4 848 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,1,0,0,0,0|1,0,2]=4 849 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [0,1,0,0,0,0|1,0,2]=4 850 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [0,1,0,0,0,0|1,0,2]=4 851 B9R0.46 C=CC(C)COC/C=C/C 9f41f4740862033b41bb003ebec56260 [0,1,0,0,0,0|1,0,2]=4 852 B9R0.46 C=CC(C)COC/C=C\C 426228e4ca469be04ffa8f6793713c6e [0,1,0,0,0,0|1,0,2]=4 853 B9R0.46 C=CC(C)COCC#CC b346975ca1fec34ff395e05ff3612bc6 [0,1,0,0,0,0|1,0,2]=4 854 B9R0.46 C=CC(C)COCCC#N d262946de0f6ff85a121a8389e9c7198 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.46 C=CC(C)COCCC=O d326f0fa7437fbc0a1c298c153fbde83 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.46 C=CC(C)COCCCC 608053865d7cfd6e5d03832e4e889079 [0,1,0,0,0,0|1,0,0]=2 857 B9R0.46 C=CC(C)COCCCF 4aab6ffaea4570d342b849d562957bc0 [0,1,0,0,0,0|2,0,0]=3 858 B9R0.46 C=CC(C)COCCCS d31ac78b0608269a13137249bda6321a [0,1,0,0,0,0|2,0,0]=3 859 B9R0.46 C=CC(C)COCCOC fccc4d8fbeebf1b28ffcdcc7509c708c [0,1,0,0,0,0|2,0,0]=3 860 B9R0.46 C=CC(C)COCCSC 99ab113b54b9cb1afcfef225d5c61a10 [0,1,0,0,0,0|2,0,0]=3 861 B9R0.46 C=CC(C)COCOCC 7c2a728753e17ddc90e8dd0cae1ca87f [0,1,0,0,0,0|2,0,0]=3 862 B9R0.46 C=CC(C)NC/C=C/CC b7795d828a86e12925e231305d85e301 [0,1,0,0,0,0|1,0,2]=4 863 B9R0.46 C=CC(C)NCC#CCC 4d1c2fcc669bbcd91e544e233d656109 [0,1,0,0,0,0|1,0,2]=4 864 B9R0.46 C=CC(C)NCCCC#N b8079af4162871460cd58aed72edf87d [0,1,0,0,0,0|2,0,1]=4 865 B9R0.46 C=CC(C)NCCCC=O e5d4027ef9d2300a7ed5efa7d96256a7 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.46 C=CC(C)NCCCCC e4ef36d1ca81148e5be66a55d1064b7e [0,1,0,0,0,0|1,0,0]=2 867 B9R0.46 C=CC(C)NCCCCCl f8ef6a10c33417106c6bf25f1dc2b190 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.46 C=CC(C)NCCCCF fd382de428b8198f301d19d2e6e59127 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.46 C=CC(C)NCCCCO 4b58e19f068eedec9797ff448a136342 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.46 C=CC(C)NCCCCS 48e129566518db5c614e274c3a51efb1 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.46 C=CC(C)NCCCOC d80248ff8c9c0be2ac4cb457695ce857 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.46 C=CC(C)NCCCSC 3f0fe09a38e853fc002bbfa3ce27364c [0,1,0,0,0,0|2,0,0]=3 873 B9R0.46 C=CC(C)NCCOCC 705c0d82e23fe8d9e418644176dc5b8c [0,1,0,0,0,0|2,0,0]=3 874 B9R0.46 C=CC(C)NCCSCC 5659a32cf374c6f9204ec08462faae03 [0,1,0,0,0,0|2,0,0]=3 875 B9R0.46 C=CC(C)OC/C=C/CC c25f8c0604448d70861fb038212cd76e [0,1,0,0,0,0|1,0,2]=4 876 B9R0.46 C=CC(C)OC/C=C\CC c6d7b1e8c9893b98ebf7cf9ff1627a69 [0,1,0,0,0,0|1,0,2]=4 877 B9R0.46 C=CC(C)OCC#CCC 617be6aa004def073a4bd02e0f6968e7 [0,1,0,0,0,0|1,0,2]=4 878 B9R0.46 C=CC(C)OCC/C=C/C eb8ef5011fef1e4643d7986d12f011fc [0,1,0,0,0,0|1,0,2]=4 879 B9R0.46 C=CC(C)OCCC#CC 1c08c50f277b1505fd911beb02b27ced [0,1,0,0,0,0|1,0,2]=4 880 B9R0.46 C=CC(C)OCCCC#N 8c9f6a0cd780a968bb46dddc5fbc65a0 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.46 C=CC(C)OCCCC=O e3fac3a438be00548cf06e77a9a3cc0f [0,1,0,0,0,0|2,0,1]=4 882 B9R0.46 C=CC(C)OCCCCC 1e28f1d3c351070f3d11fb5c824849ee [0,1,0,0,0,0|1,0,0]=2 883 B9R0.46 C=CC(C)OCCCCF 831a7637a9ac2a8eef16a41d14bdec08 [0,1,0,0,0,0|2,0,0]=3 884 B9R0.46 C=CC(C)OCCCCS 6744c9a4d971ae4c28d178f1c4c4388d [0,1,0,0,0,0|2,0,0]=3 885 B9R0.46 C=CC(C)OCCCOC ecd19d6847611bb5b922c8b1a0b72e45 [0,1,0,0,0,0|2,0,0]=3 886 B9R0.46 C=CC(C)OCCCSC 34e0dff602ea77f7e7097a0d00d2243a [0,1,0,0,0,0|2,0,0]=3 887 B9R0.46 C=CC(C)OCCOCC 803cc5dec1659697a4f3f679ec2def68 [0,1,0,0,0,0|2,0,0]=3 888 B9R0.46 C=CC(C)OCCSCC b48657873cc1178342989d92c9191ab8 [0,1,0,0,0,0|2,0,0]=3 889 B9R0.46 C=CC(O)CNC/C=C/C b856d6efd93381d835803c3080f8aded [0,1,0,0,0,0|0,0,2]=3 890 B9R0.46 C=CC(O)CNC/C=C/Cl 8c7e1b13c6850e56c96daad94fa588a2 [0,1,0,0,0,0|1,0,2]=4 891 B9R0.46 C=CC(O)CNC/C=C\C 9d541a72e85fc5641aba39de10c92dde [0,1,0,0,0,0|0,0,2]=3 892 B9R0.46 C=CC(O)CNC/C=C\Cl 6f65c639088eb83ec8a755602209ffe2 [0,1,0,0,0,0|1,0,2]=4 893 B9R0.46 C=CC(O)CNC/C=C\O 0876cf6b4b62b8c3f7eb13718703d465 [0,1,0,0,0,0|1,0,2]=4 894 B9R0.46 C=CC(O)CNCC#CC 631204f03354635f6350056182be1192 [0,1,0,0,0,0|0,0,2]=3 895 B9R0.46 C=CC(O)CNCCC#N f42cd94e22f07238e94b360c86e30156 [0,1,0,0,0,0|1,0,1]=3 896 B9R0.46 C=CC(O)CNCCC=O 1ed01f45a8251d038587c0a490c4f721 [0,1,0,0,0,0|1,0,1]=3 897 B9R0.46 C=CC(O)CNCCCC 62bcdd9c10c55126c8e92a97a0820f32 [0,1,0,0,0,0|0,0,0]=1 898 B9R0.46 C=CC(O)CNCCCF f2f3375fd11a6d38489f7763a9380847 [0,1,0,0,0,0|1,0,0]=2 899 B9R0.46 C=CC(O)CNCCCO 654c6bf32dd2f01e3597f7e292ad60d3 [0,1,0,0,0,0|1,0,0]=2 900 B9R0.46 C=CC(O)CNCCCS dc50719dae8f393055d9c046b8925a0b [0,1,0,0,0,0|1,0,0]=2 901 B9R0.46 C=CC(O)CNCCOC 3132bbe8eeb28193e25821494e5edcc7 [0,1,0,0,0,0|1,0,0]=2 902 B9R0.46 C=CC(O)CNCCSC 2c79e07a24fb1b114b870dfbcf4fd86e [0,1,0,0,0,0|1,0,0]=2 903 B9R0.46 C=CC(O)CNCOCC 0468afb911e8c070583eabdf9dfc1cf1 [0,1,0,0,0,0|1,0,0]=2 904 B9R0.46 C=CC(O)CNCSC#N 9b35146ff2406042117c6e97c276edf3 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.46 C=CCCCNC(C)C=C 2780bc8170097192e184e61955dbd757 [0,1,0,0,0,0|1,0,2]=4 906 B9R0.46 C=CCCCOC(C)C=C 1c31366b8e42b740a1c50bebae1885de [0,1,0,0,0,0|1,0,2]=4 907 B9R0.46 C=CCCCO[C@@H](C)C=C bc2d9cce416710af0ec2a6a34d6c4be9 [0,1,0,0,0,0|1,0,2]=4 908 B9R0.46 C=CCCNCC(O)C=C 6a0655f4269fca8190709773d0cd637e [0,1,0,0,0,0|0,0,2]=3 909 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,1,0,0,0,0|1,0,2]=4 910 B9R0.46 C=C[C@H](C)OC/C=C/CC 26f617b80b79bdb4dc90d9d2cad25e1e [0,1,0,0,0,0|1,0,2]=4 911 B9R0.46 C=C[C@H](C)OCC#CCC f10cc0fbe58676bd0093ce4469cf6252 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.46 C=C[C@H](C)OCCCC#N c2e3929f68002e268a824e9adb689c46 [0,1,0,0,0,0|2,0,1]=4 913 B9R0.46 C=C[C@H](C)OCCCC=O 7cce1b7c183177af9aa0a9f34aff0343 [0,1,0,0,0,0|2,0,1]=4 914 B9R0.46 C=C[C@H](C)OCCCCC d1676930d2cd78672945fe179ff4da42 [0,1,0,0,0,0|1,0,0]=2 915 B9R0.46 C=C[C@H](C)OCCCCF fbc99a9a32269eef1bd04ea9970dd449 [0,1,0,0,0,0|2,0,0]=3 916 B9R0.46 C=C[C@H](C)OCCCOC 5d7b9c6dc5415bccf25660fe187912b2 [0,1,0,0,0,0|2,0,0]=3 917 B9R0.46 C=C[C@H](C)OCCCSC d28beb0c5346fa035f5b3271a8f16573 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.46 C=C[C@H](C)OCCOCC adfac0360c62b67882d03683c422af6b [0,1,0,0,0,0|2,0,0]=3 919 B9R0.46 C=C[C@H](C)OCCSCC 5081e180462a4353644ccae5db612617 [0,1,0,0,0,0|2,0,0]=3 920 B9R0.46 CC(C=O)NCCCCCl 578f8df0cf2c2ec3a9947a8bdfdd4c9a [0,1,0,0,0,0|3,0,0]=4 921 B9R0.46 CC(C=O)NCCCCO 058005ffd19202b24a3052385e7ba593 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.46 CC(C=O)NCCCCS 7d52d0d2462682eef85c367a61b7f060 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.46 CC(C=O)OCCCCF b779475fea9936c9a40116733fadd837 [0,1,0,0,0,0|3,0,0]=4 924 B9R0.46 CC(C=O)OCCCCS ee511cea976ef5b499265a61524eedbd [0,1,0,0,0,0|3,0,0]=4 925 B9R0.46 CCC(O)CNCCCCl 4a44f635f2b26fe41010249f73195f04 [0,1,0,0,0,0|1,0,2]=4 926 B9R0.46 CCC(O)CNCCCF d23db8212a10ffee3def0f30a90dee7b [0,1,0,0,0,0|1,0,2]=4 927 B9R0.46 CCC(O)CNCCCO 93bcd9fc899e572447921b7df9cd4341 [0,1,0,0,0,0|1,0,2]=4 928 B9R0.46 CCC(O)CNCCCS bbd28bf27ab28c61bca4c44e2f626d1c [0,1,0,0,0,0|1,0,2]=4 929 B9R0.46 CCC(O)CNCCOC 85b160473aaff0894fe544a8f320867a [0,1,0,0,0,0|1,0,2]=4 930 B9R0.46 CCC(O)CNCCSC 931a319ad0fd7de5ea016a65cae41c39 [0,1,0,0,0,0|1,0,2]=4 931 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,1,0,0,0,0|1,0,2]=4 933 B9R0.46 CCCCCNC(C)C#N e93123536eb5e941147e28a7a67d4630 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.46 CCCCCNC(C)CC d4dac8fa5e124377339bde23f68436c7 [0,1,0,0,0,0|1,0,2]=4 936 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.46 CCCCCN[C@@H](C)CC b6b81653be3f1ec33ebabbfa6682ffa7 [0,1,0,0,0,0|1,0,2]=4 938 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [0,1,0,0,0,0|2,0,1]=4 939 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [0,1,0,0,0,0|2,0,0]=3 940 B9R0.46 CCCCCN[C@H](C)CC 1a59220ace4fed85e800ac900c1bb57f [0,1,0,0,0,0|1,0,2]=4 941 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.46 CCCCCOC(C)C#N 297e5ef3da6d594c2f51900f89e87e4c [0,1,0,0,0,0|2,0,1]=4 943 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,1,0,0,0,0|2,0,0]=3 944 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [0,1,0,0,0,0|1,0,2]=4 945 B9R0.46 CCCCCOC(C)CF 5b19438ac5bb1414fffaec033cb2861e [0,1,0,0,0,0|2,0,1]=4 946 B9R0.46 CCCCCOC(C)CS 0134a0372d50041ffbead69c16000b00 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [0,1,0,0,0,0|1,0,2]=4 948 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,1,0,0,0,0|2,0,0]=3 949 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [0,1,0,0,0,0|1,0,2]=4 950 B9R0.46 CCCCCO[C@H](C)CS d6b0512832a6a434c166a9513b4ccb30 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.46 CCCCNC/C(=C/Cl)/Cl 0d680ba256822cfdaae23913bca8ee4c [0,1,0,0,0,0|2,0,1]=4 952 B9R0.46 CCCCNCC(Br)CBr 7501bfbad692c85a16bcee024e0821af [0,1,0,0,0,0|2,0,1]=4 953 B9R0.46 CCCCNCC(C)C#N 2880907625db2083a4cd8f76f54f1de6 [0,1,0,0,0,0|2,0,1]=4 954 B9R0.46 CCCCNCC(C)CC fe16d6610e1ccb6be0e04021325ee876 [0,1,0,0,0,0|1,0,2]=4 955 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [0,1,0,0,0,0|2,0,1]=4 956 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [0,1,0,0,0,0|2,0,1]=4 957 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [0,1,0,0,0,0|2,0,1]=4 958 B9R0.46 CCCCNCC(O)CC 46cb5b31215196bed41fac14cefadf78 [0,1,0,0,0,0|0,0,2]=3 959 B9R0.46 CCCCNCC(O)CF a25c46def5aaeed0650a4676c74b8608 [0,1,0,0,0,0|1,0,1]=3 960 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [0,1,0,0,0,0|1,0,1]=3 961 B9R0.46 CCCCNC[C@@H](C)CC 28a03a36bf9908817a39b92ae085509a [0,1,0,0,0,0|1,0,2]=4 962 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [0,1,0,0,0,0|2,0,1]=4 963 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [0,1,0,0,0,0|2,0,1]=4 964 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [0,1,0,0,0,0|1,0,1]=3 966 B9R0.46 CCCCNC[C@H](C)CC 5ae2d51b55b594c4663da0a7bc1219b4 [0,1,0,0,0,0|1,0,2]=4 967 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [0,1,0,0,0,0|2,0,1]=4 968 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [0,1,0,0,0,0|2,0,1]=4 969 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [0,1,0,0,0,0|2,0,1]=4 970 B9R0.46 CCCCNC[C@H](O)CC f734ed05f673e984a2cecc562494193f [0,1,0,0,0,0|0,0,2]=3 971 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [0,1,0,0,0,0|1,0,1]=3 972 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,1,0,0,0,0|2,0,1]=4 973 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,1,0,0,0,0|2,0,1]=4 974 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,1,0,0,0,0|2,0,1]=4 975 B9R0.46 CCCCOCC(Br)CBr 47f9ee022b716b698a561875aa888071 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.46 CCCCOCC(C)C#N 06d9b36ac76424fdd3e7af8f18c29b0f [0,1,0,0,0,0|2,0,1]=4 977 B9R0.46 CCCCOCC(C)CC 13ec2db481f75897427100192f392a55 [0,1,0,0,0,0|1,0,2]=4 978 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.46 CCCCOCC(Cl)CCl 7ce0ebf6ab1cc141bc213cb71d46c022 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [0,1,0,0,0,0|1,0,1]=3 981 B9R0.46 CCCCOCC(S)CS 61a90a75aa9f3f44748361e111510263 [0,1,0,0,0,0|1,1,1]=4 982 B9R0.46 CCCCOC[C@@H](C)CC 292951184706705a2f287faa32f83807 [0,1,0,0,0,0|1,0,2]=4 983 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [0,1,0,0,0,0|1,0,1]=3 985 B9R0.46 CCCCOC[C@H](C)CC 0a6162ca309a331d6895567d00642c6e [0,1,0,0,0,0|1,0,2]=4 986 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [0,1,0,0,0,0|1,0,1]=3 988 B9R0.46 CCCNCCC(C)CC 4813008a0c1b241c6f502130c23c9788 [0,1,0,0,0,0|1,0,2]=4 989 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [0,1,0,0,0,0|2,0,1]=4 990 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [0,1,0,0,0,0|1,0,1]=3 991 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.46 CCCOCCC(C)CC d32230cb97bcbaa35141057e4fc42013 [0,1,0,0,0,0|1,0,2]=4 993 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,1,0,0,0,0|2,0,1]=4 994 B9R0.46 CCCOCCC(S)CC 52c7b7912eb2ffdf0f6b5f6ebf04c230 [0,1,0,0,0,0|0,1,2]=4 995 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,1,0,0,0,0|3,0,0]=4 996 B9R0.46 CCCOCC[C@@H](C)CC 5c7be05a753d139dee133c45d7518c1b [0,1,0,0,0,0|1,0,2]=4 997 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [0,1,0,0,0,0|2,0,1]=4 998 B9R0.46 CCOCCCC(C)CC 0ea2c075acda26928eb230e2cbdf0ebc [0,1,0,0,0,0|1,0,2]=4 999 B9R0.46 CCOCCC[C@@H](C)CC d4ed2edda0b29eae54d6246c567e945f [0,1,0,0,0,0|1,0,2]=4 1000 B9R0.46 CCOCCNC(C)C=O ac06f2b178201ef3dd4641d04af68161 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.46 CCOCCN[C@H](C)C=O f604da704a4a0aac9ac989ce73c1a879 [0,1,0,0,0,0|3,0,0]=4 1002 B9R0.46 CCOCCOC(C)C=O bfd7603acdd2ea90fa45278098ccd23c [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.46 CCOCCO[C@H](C)C=O 94336986a5ea608124cb78550c83363a [0,1,0,0,0,0|3,0,0]=4 1004 B9R0.46 CCOCNCC(O)CC 885d446894bffe4baab4eadb2bcd46f8 [0,1,0,0,0,0|1,0,2]=4 1005 B9R0.46 CCOCNCC(O)CO 27c8b92a9b739c4e73b3c6753a1d537e [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.46 CCOCNC[C@@H](O)CO d0efb350b4a72c3ffee707458a6dd23c [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.46 CCOCNC[C@H](O)CC 970c9bd31019ccc65386657ef5597e21 [0,1,0,0,0,0|1,0,2]=4 1008 B9R0.46 CCOCNC[C@H](O)CO 4a27cc053ca567b536b4085ad33b04f0 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.46 CCSCCNC(C)C=O 6f56a8e5c7dfa0b4daa7bb0d5811fb21 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.46 CCSCCN[C@H](C)C=O b7bc62394b42e9a1420767b1af956a3b [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.46 CCSCCOC(C)C=O a41a819229db3c7394ce97008565cc09 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.46 CCSCCO[C@H](C)C=O 25594d2fa741da9eafa868d67605c8e2 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.46 CC[C@@H](O)CNCCCF 7bf6659ea8de7b146b80b5b4045f0937 [0,1,0,0,0,0|1,0,2]=4 1014 B9R0.46 CC[C@@H](O)CNCCCO 08b86832c312e48f7b7fa53b09edf713 [0,1,0,0,0,0|1,0,2]=4 1015 B9R0.46 CC[C@@H](O)CNCCCS d051e53a6d27d182f9ff21405c8ae76e [0,1,0,0,0,0|1,0,2]=4 1016 B9R0.46 CC[C@@H](O)CNCCOC c8d506c530eccde26f1fae791d78f832 [0,1,0,0,0,0|1,0,2]=4 1017 B9R0.46 CC[C@@H](O)CNCCSC a9b2d3e387529d8ef33918862b98c2f5 [0,1,0,0,0,0|1,0,2]=4 1018 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,1,0,0,0,0|3,0,0]=4 1019 B9R0.46 COCCCCN(C)C=O c4af9136179b3511052f27a49eec2e11 [0,1,0,0,0,0|3,0,0]=4 1020 B9R0.46 COCCCNC(C)C=O d0b57509a08585728203c70aacad460e [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.46 COCCCN[C@H](C)C=O f09d9480a60b0665d83e9a9347e5a5da [0,1,0,0,0,0|3,0,0]=4 1022 B9R0.46 COCCCOC(C)C=O 9a5f6e6c676de8d2d1f397929db56613 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.46 COCCCO[C@H](C)C=O d25ebb3e6fd7ff8cf98932d3166da8ba [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.46 COCCNCC(O)CF 505932b26fa967ac460946e9484846b4 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.46 COCCNCC(O)CO c755412dc8007c98a3ba76b9ee1c3b97 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.46 COCCNC[C@@H](O)CO c3d982d46acebf22dd9c21977b029b88 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.46 COCCNC[C@H](O)CO cc89f689671d15e46f96ec5d7edaaf63 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.46 COCCOCC(O)CO d04f3fbcfb2b23f1462544a61d684626 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.46 COCCOC[C@@H](O)CO db856f25e157c78d794a3a239a143fd6 [0,1,0,0,0,0|2,0,1]=4 1030 B9R0.46 COCCOC[C@H](O)CO 80ac70db22d31e9af9fe7a8cec5a1d67 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.46 COCNCCC(O)CO fb7b9cd6c23a73b68c8ba1204f67f804 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.46 CSCCCNC(C)C=O 76f568b0480b2d9069e3a33a7387861a [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.46 CSCCCN[C@H](C)C=O b9b57ee4edd5974d5a56a770a1225d56 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.46 CSCCCOC(C)C=O 85ce6f2df0bf4eb3046e0837d7f2a789 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.46 CSCCCO[C@H](C)C=O ac3078874cb1236d51f37e300aadddf1 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.46 CSCCNCC(O)CF 12028f2db9f52a93d84f21a7432f8955 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.46 CSCCNCC(O)CO 94e23d524b095070831f1debf4b9828e [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.46 CSCCNC[C@@H](O)CO 126abc7253407343d6ddca8f0d400cf1 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.46 CSCCNC[C@H](O)CO 1543df60168a677256863fc1192179ea [0,1,0,0,0,0|2,0,1]=4 1040 B9R0.46 CSCCOCC(O)CO f56ccfbe6413d41c8c42d0aeffe80426 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.46 CSCCOC[C@@H](O)CO 9df2c11b20a79f2230ddc2ae9d516243 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.46 CSCCOC[C@H](O)CO 5906c86c8a799750f715d47a627fa8f9 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.46 CSCNCCC(O)CO 1c366acdcf93655567cca8d2fa40cf82 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.46 C[C@H](C=O)NCCCCCl e6c8baff8c1d12bdc1a6f40a2a3826b8 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.46 C[C@H](C=O)NCCCCO eb09c7f19ebf18215ec378c737164712 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.46 C[C@H](C=O)NCCCCS 87575fcf87743d54375253c008709169 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.46 C[C@H](C=O)OCCCCF f7bf3d2a1c35392a291f6751000fb4da [0,1,0,0,0,0|3,0,0]=4 1048 B9R0.46 C[C@H](C=O)OCCCCS 5d26a25ff8edfe0f5f9804badd01e01e [0,1,0,0,0,0|3,0,0]=4 1049 B9R0.46 OC(CF)CNCCCCl 292fbafa7230c895e31a329d3e6aa2f5 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.46 OCC(O)CCNCCF 8fa8e79834b535985ffeb30e7d18888f [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.46 OCC(O)CCNCCS bf728db215cc2c11b1c3f72f6a2d547f [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.46 OCC(O)CNCCCCl 77c5656aee6fec75adf72fa43ba9e861 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.46 OCC(O)CNCCCF 36ab8d6319eb5716d571ab9be3790fa9 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.46 OCC(O)CNCCCS 19c592e70dcbfa92afb84181d7e68cab [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.46 OCC(O)COCCCF e7041c91598c4206cf27f00ca0997133 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.46 OCC(O)COCCCS f1176bb495d42cf6684997708d149ee5 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.46 OCCCNCC(O)CF a493da2bb12ba6c18eddfff9f136eea0 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.46 OCCCNCC(O)CO e3e37dd0719f535ee680fe351f72ee3d [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.46 OCCCNC[C@@H](O)CO a0e4a506ad2dbb03ae3a4a725ae359fc [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.46 OCCCNC[C@H](O)CO 4e9a75ba10b4c23756a22cf9437b571c [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.46 OCCNCCC(O)CO b61589340bc352aac57b258c0ddb07ad [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.46 OC[C@@H](O)CNCCCCl f592d17a71450eb526495cd3c0b163f6 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.46 OC[C@@H](O)CNCCCF 5a212c3377b2dfa831f79cc66e9f21f3 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.46 OC[C@@H](O)CNCCCS 11ef27a788595c1d50553f1ad09770e3 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.46 OC[C@@H](O)COCCCF 5f4c61ca1a2e178a8e9f460221c18cba [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.46 OC[C@@H](O)COCCCS 0207642497fa81ecece3ca17b8cf9b27 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.46 OC[C@H](O)CNCCCCl 7aaa1c59055fdc8664d52aa9020dd8d3 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.46 OC[C@H](O)CNCCCF 3131d8842f4be3b23cc0983d380f8aa7 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.46 OC[C@H](O)CNCCCS 2b8e64607fca57091fb83d474fd58ded [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.46 OC[C@H](O)COCCCF aad9395763c971642ad7c013d3557ba5 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.46 OC[C@H](O)COCCCS 0b694b9fbacfb23c5e3f3b007ea5d0da [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.47 C=C(Br)C(=O)NCCCC a63699a68aa22227103f5d8e65213d42 [0,1,0,0,0,0|1,0,2]=4 1073 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.47 C=C(Cl)C(=O)NCCCC df2fd604f008e64fca1a4ccf36dda2cb [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.47 C=C(F)C(=O)NCCCC 68a3dfc300c4b4a8a941583a9530da97 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.47 C=C(I)[C@H](C)CNCCBr 7af7d8981e0fe52b5f718d82ee889314 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.47 C=C(I)[C@H](C)CNCCC cfce1aff3b51edb52ecbc394f78b09b0 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.47 C=C(I)[C@H](C)CNCCF 484375dfcf0202f2d0ddf41312a6b9d2 [0,1,0,0,0,0|3,0,0]=4 1079 B9R0.47 C=C(I)[C@H](C)CNCCI 12a47989fa68b560c548a3c2fd9d160c [0,1,0,0,0,0|3,0,0]=4 1080 B9R0.47 C=C(I)[C@H](C)CNCCO 6129a812b74969aae151aa41435cdf91 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.47 C=C(I)[C@H](C)CNCCS 5467f2748b1dfd74e81355414a42f4cd [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.47 C=C(I)[C@H](C)COCCC 7ccc91e89ed0d92904c3b8e98bbd8d5a [0,1,0,0,0,0|2,0,0]=3 1083 B9R0.47 C=C(I)[C@H](C)COCCS f0b381fc27b36fe0277e2b43c83aa581 [0,1,0,0,0,0|3,0,0]=4 1084 B9R0.47 C=C(I)[C@H](C)COCOC 79e219b17b3cb66e0206c89a60021746 [0,1,0,0,0,0|3,0,0]=4 1085 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.47 CCCCNC(C)C(=O)C d47055cc2a147dbd562c227dbc7db49f [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.47 CCCCNC(C)C(=O)N c1d89b7252340bc9da2585b545e036ca [0,1,0,0,0,0|3,0,0]=4 1088 B9R0.47 CCCCNC(C)C(=O)O 5312a5a4ac0d505f773570b1c1dc7471 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.47 CCCCNC(F)C(=O)N 3ff69ecd1c639241490ed859b671e0fc [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.47 CCCCNC(O)C(=O)O 374139cd4b934cd91b6a9ec96c5a0b99 [0,1,0,0,0,0|2,0,0]=3 1091 B9R0.47 CCCCN[C@@H](C)C(=O)N 6a337a73927e9aeefb9d4f7b78d7ceaa [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.47 CCCCN[C@@H](C)C(=O)O 519d28cb2ff838f7dcf305efd2de1951 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.47 CCCCN[C@H](C)C(=O)N f7a764574606da7e80ffbc0019505c38 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.47 CCCCN[C@H](C)C(=O)O cd795f2ef98308f6ebf803867211dca8 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.47 CCCCOC(C)C(=O)N 93ffcc07fd8ca6c83cba6693932eaa12 [0,1,0,0,0,0|3,0,0]=4 1097 B9R0.47 CCCCOC(C)C(=O)O db49def1ae579c60f3b0671857091689 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.47 CCCCOC(F)C(=O)N 9f9586d0cf25ed0afb06f8dc8ddcc70c [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.47 CCCCOC(F)C(=O)O 8211b720c423c5874363ee681b819aaa [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.47 CCCCO[C@@H](C)C(=O)N 0aa9ebfb7acab02e489bdc74aacc1a54 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.47 CCCCO[C@@H](C)C(=O)O cd3f9b9b4a86455f190433fe9f8db5a9 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.47 CCCCO[C@@H](F)C(=O)O 000616a107be951056a3f838e90d9eca [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.47 CCCCO[C@H](C)C(=O)N 896278da9cdaad47181bea917da86f53 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.47 CCCCO[C@H](C)C(=O)O e439b368527339689ee28968ccfcc65d [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.47 CCCNCC(C)C(=O)O df101b2a4eccba21dd748dca20be9479 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.47 CCCNCC(F)C(=O)O c424bf5fdad9394b2863cdbd39db5b69 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.47 CCCNCC(O)C(=O)O 2648cab5ee8c3b07365f1f506b48755c [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.47 CCCNCC(O)C(C)C 2d03132ca172d1df078e55414af8be05 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.47 CCCNCC(O)C(F)F a3607256db9ac23f7724cfbab34e34d9 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.47 CCCNC[C@@H](C)C(=O)O 83ebdb782f465b5108f0a9b96c31c62f [0,1,0,0,0,0|3,0,0]=4 1111 B9R0.47 CCCNC[C@@H](O)C(=O)O 5bb6cbd33c7a84f97677cc53d1e89528 [0,1,0,0,0,0|2,0,0]=3 1112 B9R0.47 CCCNC[C@H](C)C(=O)O b977d522c2650a4380e1fc55b1dfdbae [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.47 CCCNC[C@H](O)C(=O)O 780ad4a9450a1bac8a15804493ca1eef [0,1,0,0,0,0|2,0,0]=3 1114 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.47 CCCOCC(C)C(=O)O ff2ba4e0a2c279fc884d0931d786ae76 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.47 CCCOC[C@@H](C)C(=O)O 4a2415868647637e65ed1231682aaac2 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.47 CCCOC[C@H](C)C(=O)O 706288de414bed30341fbfa56c954104 [0,1,0,0,0,0|3,0,0]=4 1118 B9R0.47 CCNCCC(F)C(=O)O 3e22a7816eb30765d4c29cc51ffeed2c [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.47 CCNCCC(O)C(=O)O fb8274a5700c97b8157ec9912644b4bf [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.47 CCNCC[C@H](O)C(=O)O a43a204ad767fe5fa54ef33d97357dbf [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.47 CCOCNC(O)C(=O)O 2eaf68b0120e204516043043fab9491a [0,1,0,0,0,0|3,0,0]=4 1122 B9R0.47 COCCNC(O)C(=O)O 90dc0fa361e99690ebcea00d62511070 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.47 COCNCC(O)C(=O)O decc56ef836464a1b1d19b121be115d1 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.47 COCNC[C@@H](O)C(=O)O 59fabaf541e24c1aa9992c1efe450e9c [0,1,0,0,0,0|3,0,0]=4 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CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,0,0,1,0,0|1,0,2]=4 1208 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,0,0,1,0,0|1,0,2]=4 1209 B9R1.7 CCN[C@H]1C=C[C@H](C1)O 1b322ffcd67ea9ec53acac9cb0d3d699 [0,0,0,1,0,0|1,0,0]=2 1210 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,0,0,1,0,0|1,0,2]=4 1211 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,0,0,1,0,0|1,0,2]=4 1212 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,0,0,1,0,0|1,0,2]=4 1213 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,0,0,1,0,0|1,0,2]=4 1214 B9R1.7 O=CN[C@@H]1C=C[C@@H](C1)O c84ec6168b4b883882f43f4269c92f41 [0,0,0,1,0,0|2,0,1]=4 1215 B9R1.7 O=CN[C@H]1C=C[C@H](C1)O 3aafffd502f5d4ae0116f1b76ce04f44 [0,0,0,1,0,0|2,0,1]=4 1216 B9R1.7 OCN[C@@H]1C=C[C@@H](C1)O fca76b8616afeed62b3ab2af5db81bb9 [0,0,0,1,0,0|2,0,0]=3 1217 B9R1.7 OCN[C@H]1C=C[C@H](C1)O 95e69a050bb34142811117800af6ee28 [0,0,0,1,0,0|2,0,0]=3 1218 B9R1.7 O[C@@H]1C=C[C@@H](C1)NCF 685cd0cf23ab133faa41a55e9c44a2ae [0,0,0,1,0,0|2,0,0]=3 1219 B9R1.7 O[C@H]1C=C[C@H](C1)NCF 359dc02826c747335100c358b1eb75fa [0,0,0,1,0,0|2,0,0]=3 1220 B9R1.11 C=CC(C)N1CCSC1 d7161c89a4ffe2970ed1255bd6799f51 [0,0,0,1,0,0|3,0,0]=4 1221 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [0,0,0,1,0,0|2,0,0]=3 1222 B9R1.16 C=C1CC1COCCF 6f8c8ca36aa59dbcc84a3d9792058d84 [0,0,0,1,0,0|3,0,0]=4 1223 B9R1.16 C=C1CC1COCCS 4f763949909bc0572a44a3e4eec462fe [0,0,0,1,0,0|3,0,0]=4 1224 B9R1.16 C=C1CC1COCOC c9cef91af79ba0c0593efab5c461bedf [0,0,0,1,0,0|3,0,0]=4 1225 B9R1.16 C=C1CC1COCSC faa0f3b89cb95e96134a066f6b515ca3 [0,0,0,1,0,0|3,0,0]=4 1226 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [0,0,0,1,0,0|1,0,2]=4 1227 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [0,0,0,1,0,0|1,0,2]=4 1228 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [0,0,0,1,0,0|1,0,2]=4 1229 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [0,0,0,1,0,0|1,0,2]=4 1230 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [0,0,0,1,0,0|1,0,2]=4 1231 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [0,0,0,1,0,0|1,0,2]=4 1232 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [0,0,0,1,0,0|1,0,2]=4 1233 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [0,0,0,1,0,0|1,0,2]=4 1234 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [0,0,0,1,0,0|1,0,2]=4 1235 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [0,0,0,1,0,0|1,0,2]=4 1236 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [0,0,0,1,0,0|1,0,2]=4 1237 B9R1.20 CCCNC1CC1C=O 5a1255ba47b3f9b77a8f94f9f9e96699 [0,0,0,1,0,0|3,0,0]=4 1238 B9R1.20 CCCOC1CC1C=O 31262bf4a61a94a8c2a2cb7b4ef3e962 [0,0,0,1,0,0|3,0,0]=4 1239 B9R1.21 C=CC1CCN(C1)CC 9fddcf238bb967e6e4de7b404f198b49 [0,0,0,1,0,0|2,0,0]=3 1240 B9R1.21 C=CC1CCN(C1)CF 148a29ba06e8e8baed1c171ce657ec63 [0,0,0,1,0,0|3,0,0]=4 1241 B9R1.21 C=CC1CCN(C1)CO f7a9f45146e12984baba4abfae9d8fb8 [0,0,0,1,0,0|3,0,0]=4 1242 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,0,0,1,0,0|3,0,0]=4 1243 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [0,0,0,1,0,0|1,0,2]=4 1244 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [0,0,0,1,0,0|1,0,2]=4 1245 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [0,0,0,1,0,0|1,0,2]=4 1246 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [0,0,0,1,0,0|1,0,2]=4 1247 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [0,0,0,1,0,0|1,0,2]=4 1248 B9R1.58 CCCC1CN(C1)C=O 867bf4f5c760470bb9b1b8cee8c6b82b [0,0,0,1,0,0|3,0,0]=4 1249 B9R1.78 C=CC(=O)NC1CC1C ac4ea5e99803f2642639241cf2296460 [0,0,0,1,0,0|1,0,2]=4 1250 B9R1.78 C=CC(C)NC1CC1C 5b9e00ba6325be12eaba77915e932149 [0,0,0,1,0,0|2,0,0]=3 1251 B9R1.78 C=CC(C)N[C@@H]1C[C@H]1F 854a9887ad53997b08a2cd275e445910 [0,0,0,1,0,0|3,0,0]=4 1252 B9R1.78 C=CC(C)N[C@H]1C[C@@H]1F 297bbd0a978a352ef75e0782adad3f2b [0,0,0,1,0,0|3,0,0]=4 1253 B9R1.78 C=CC(C)N[C@H]1C[C@H]1F 978281e0b6ea06887da73b75f64fc4d6 [0,0,0,1,0,0|3,0,0]=4 1254 B9R1.78 CC(C=O)NC1CC1C 9481a61e1d347ba2202bef6d220427e4 [0,0,0,1,0,0|3,0,0]=4 1255 B9R1.78 CC1CC1N[C@H](C)C=O be450241ecdade58c2950bbacd4356e6 [0,0,0,1,0,0|3,0,0]=4 1256 B9R1.79 C=CC(=O)NC1CCC1 c318e34de80e137dfb71a9410142317d [0,0,0,1,0,0|1,0,2]=4 1257 B9R1.79 C=CC(C)NC1CCC1 0fbf586c423f41e6d3c34ab4c06d3efd [0,0,0,1,0,0|2,0,0]=3 1258 B9R1.79 C=CC(C)NC1COC1 03a487761d3b33e9050a7f356cb40d1e [0,0,0,1,0,0|3,0,0]=4 1259 B9R1.79 C=CC(C)OC1CCC1 86437af073ef6720bc4525acb7141504 [0,0,0,1,0,0|2,0,0]=3 1260 B9R1.79 C=CC(C)OC1COC1 558d153afa71583f43a3fa61c369f0f5 [0,0,0,1,0,0|3,0,0]=4 1261 B9R1.79 C=CC(C)OC1CSC1 c6f5694ff6ec364691ca7c54ab6df59e [0,0,0,1,0,0|3,0,0]=4 1262 B9R1.79 C=C[C@H](C)OC1CCC1 d6b3f218157baafc8fa5691c5c3addfc [0,0,0,1,0,0|2,0,0]=3 1263 B9R1.79 C=C[C@H](C)OC1COC1 7942189d6ec978636f256f0ea1094d7e [0,0,0,1,0,0|3,0,0]=4 1264 B9R1.79 CC(C=O)NC1CCC1 b4bdda6ebf622678c9a7f23cfaf63b98 [0,0,0,1,0,0|3,0,0]=4 1265 B9R1.79 CC(C=O)OC1CCC1 3ad197f933b80f60f4ae60061b095099 [0,0,0,1,0,0|3,0,0]=4 1266 B9R1.79 CCC(O)CN1CCC1 b06bb03f669d8ae1ef0741bc801086ab [0,0,0,1,0,0|1,0,2]=4 1267 B9R1.79 CN(C=O)CC1CCC1 7067673fcd6b5e288a96434bde2c4213 [0,0,0,1,0,0|3,0,0]=4 1268 B9R1.79 C[C@H](C=O)NC1CCC1 4e228b2e22af1a0861914580a0c9cf09 [0,0,0,1,0,0|3,0,0]=4 1269 B9R1.79 C[C@H](C=O)OC1CCC1 a8149e9585a28788a34126b9a0b430ea [0,0,0,1,0,0|3,0,0]=4 1270 B9R1.79 OC(CF)CN1CCC1 847ca6aca0464bf0aa8667900584ae9b [0,0,0,1,0,0|2,0,1]=4 1271 B9R1.79 OCC(O)CN1CCC1 77d495332a3dfcded8f272fcec03fd49 [0,0,0,1,0,0|2,0,1]=4 1272 B9R1.79 OC[C@@H](O)CN1CCC1 fe9bff743ecc366ae10fd8edc3aee57f [0,0,0,1,0,0|2,0,1]=4 1273 B9R1.79 OC[C@H](O)CN1CCC1 5cdca8e693d3a19839bfe09018b7b456 [0,0,0,1,0,0|2,0,1]=4 1274 B9R1.80 C=CC(=O)NCC1CC1 c82d60596d8326f64870dc97f1275895 [0,0,0,1,0,0|1,0,2]=4 1275 B9R1.80 C=CC(C)COC1CC1 2a89afcde2fb28df3b744181dc7e49c1 [0,0,0,1,0,0|2,0,0]=3 1276 B9R1.80 C=CC(C)NCC1CC1 9c781954a7d6b92120c7bb4ab11ea6a8 [0,0,0,1,0,0|2,0,0]=3 1277 B9R1.80 C=CC(C)OCC1CC1 940bdc59b29d7b9f7b6d5708b8e5a78c [0,0,0,1,0,0|2,0,0]=3 1278 B9R1.80 C=CC(O)CNC1CC1 9651f8d43922fb18d78d73fd3293d226 [0,0,0,1,0,0|1,0,0]=2 1279 B9R1.80 C=C[C@H](C)OCC1CC1 5f3f6610f60ef3a694d062d56d16ead9 [0,0,0,1,0,0|2,0,0]=3 1280 B9R1.80 CC(C=O)NCC1CC1 429dea9367a4c55400688a31cd29b9b7 [0,0,0,1,0,0|3,0,0]=4 1281 B9R1.80 CC(C=O)OCC1CC1 e0e640dbc22ded242e79f76216140c14 [0,0,0,1,0,0|3,0,0]=4 1282 B9R1.80 CCC(O)CNC1CC1 54abe56f753b54db78c54831e171c9d7 [0,0,0,1,0,0|1,0,2]=4 1283 B9R1.80 CC[C@@H](O)CNC1CC1 5c71c3a806fd8f23ecb282a3fe94c34f [0,0,0,1,0,0|1,0,2]=4 1284 B9R1.80 C[C@H](C=O)NCC1CC1 6f0c8d8ee412ec3778b786749721cf4e [0,0,0,1,0,0|3,0,0]=4 1285 B9R1.80 C[C@H](C=O)OCC1CC1 53d16c8fcc83412c0fbcbb0c1f40f33f [0,0,0,1,0,0|3,0,0]=4 1286 B9R1.80 OC(CF)CNC1CC1 d1df49a99a05193f9a9bde0d43c4d329 [0,0,0,1,0,0|2,0,1]=4 1287 B9R1.80 OCC(O)CNC1CC1 8516e8735a869915f0cd7e8e9c31287f [0,0,0,1,0,0|2,0,1]=4 1288 B9R1.80 OCC(O)COC1CC1 76df70328f0f37cb561b84cb3d7f524f [0,0,0,1,0,0|2,0,1]=4 1289 B9R1.80 OC[C@@H](O)CNC1CC1 b0c8b4f5996282299dfc10e649ed5c69 [0,0,0,1,0,0|2,0,1]=4 1290 B9R1.80 OC[C@@H](O)COC1CC1 d9e29ace9afb0cf42c6aafedfece282e [0,0,0,1,0,0|2,0,1]=4 1291 B9R1.80 OC[C@H](O)CNC1CC1 7d9278a90d53785620ddeda8b03265d1 [0,0,0,1,0,0|2,0,1]=4 1292 B9R1.80 OC[C@H](O)COC1CC1 b919d013ebea877889cd4dc18135123f [0,0,0,1,0,0|2,0,1]=4 1293 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,0,0,1,0,0|3,0,0]=4 1294 B9R1.99 CCCNCC1(CC1)O 2888c072d532cf9a9a47472985ce5ea5 [0,0,0,1,0,0|1,0,2]=4 1295 B9R1.99 CCNCCC1(CC1)O ed1abbb0e35da1c7f74ba5cf49285456 [0,0,0,1,0,0|1,0,2]=4 1296 B9R1.132 CCN1CCC(C1C)O 5df9989e2977cf675c27c93487f16e6a [0,0,0,1,0,0|1,0,2]=4 1297 B9R1.132 CCN1CC[C@@H]([C@@H]1C)O 0915ab6dc39d881d8d1d32d4f65e7edb [0,0,0,1,0,0|1,0,2]=4 1298 B9R1.132 CCN1CC[C@H]([C@H]1C)O a9f549cdc7fcccd60d8aa8e684a054d4 [0,0,0,1,0,0|1,0,2]=4 1299 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [2,0,0,0,0,0|1,0,0]=3 1300 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [2,0,0,0,0,0|2,0,0]=4 1301 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [2,0,0,0,0,0|2,0,0]=4 1302 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [2,0,0,0,0,0|1,0,0]=3 1303 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [2,0,0,0,0,0|2,0,0]=4 1304 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [2,0,0,0,0,0|2,0,0]=4 1305 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [2,0,0,0,0,0|1,0,0]=3 1306 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [2,0,0,0,0,0|2,0,0]=4 1307 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [2,0,0,0,0,0|2,0,0]=4 1308 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [2,0,0,0,0,0|2,0,0]=4 1309 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [2,0,0,0,0,0|2,0,0]=4 1310 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [2,0,0,0,0,0|1,0,0]=3 1311 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [2,0,0,0,0,0|2,0,0]=4 1312 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [2,0,0,0,0,0|2,0,0]=4 1313 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [2,0,0,0,0,0|2,0,0]=4 1314 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [2,0,0,0,0,0|2,0,0]=4 1315 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [2,0,0,0,0,0|1,0,1]=4 1316 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [2,0,0,0,0,0|2,0,0]=4 1317 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [2,0,0,0,0,0|1,0,0]=3 1318 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [2,0,0,0,0,0|1,0,1]=4 1319 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [2,0,0,0,0,0|2,0,0]=4 1320 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [2,0,0,0,0,0|2,0,0]=4 1321 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [2,0,0,0,0,0|2,0,0]=4 1322 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [2,0,0,0,0,0|1,0,1]=4 1323 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [2,0,0,0,0,0|2,0,0]=4 1324 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [2,0,0,0,0,0|2,0,0]=4 1325 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [2,0,0,0,0,0|1,0,0]=3 1326 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [2,0,0,0,0,0|1,1,0]=4 1327 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [2,0,0,0,0,0|2,0,0]=4 1328 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [2,0,0,0,0,0|1,0,1]=4 1329 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [2,0,0,0,0,0|2,0,0]=4 1330 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [2,0,0,0,0,0|1,1,0]=4 1331 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [2,0,0,0,0,0|2,0,0]=4 1332 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [2,0,0,0,0,0|1,0,0]=3 1333 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [2,0,0,0,0,0|2,0,0]=4 1334 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [2,0,0,0,0,0|2,0,0]=4 1335 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [2,0,0,0,0,0|1,1,0]=4 1336 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [2,0,0,0,0,0|2,0,0]=4 1337 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [2,0,0,0,0,0|2,0,0]=4 1338 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [2,0,0,0,0,0|2,0,0]=4 1339 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [2,0,0,0,0,0|2,0,0]=4 1340 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [2,0,0,0,0,0|2,0,0]=4 1341 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [2,0,0,0,0,0|2,0,0]=4 1342 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [2,0,0,0,0,0|2,0,0]=4 1343 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [2,0,0,0,0,0|2,0,0]=4 1344 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [2,0,0,0,0,0|2,0,0]=4 1345 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [2,0,0,0,0,0|2,0,0]=4 1346 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [2,0,0,0,0,0|2,0,0]=4 1347 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [2,0,0,0,0,0|2,0,0]=4 1348 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [2,0,0,0,0,0|2,0,0]=4 1349 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [2,0,0,0,0,0|2,0,0]=4 1350 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [2,0,0,0,0,0|2,0,0]=4 1351 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [2,0,0,0,0,0|1,0,1]=4 1352 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [2,0,0,0,0,0|1,0,1]=4 1353 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [2,0,0,0,0,0|1,0,1]=4 1354 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [1,1,0,0,0,0|1,0,1]=4 1355 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [1,1,0,0,0,0|1,0,0]=3 1356 B8R0.1 C=CCC(C)COCF 1addc2f48251cfde760e48a173ade9f6 [1,1,0,0,0,0|2,0,0]=4 1357 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [1,1,0,0,0,0|1,0,0]=3 1358 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [1,1,0,0,0,0|2,0,0]=4 1359 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [1,1,0,0,0,0|2,0,0]=4 1360 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [1,1,0,0,0,0|2,0,0]=4 1361 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [1,1,0,0,0,0|2,0,0]=4 1362 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [1,1,0,0,0,0|1,0,0]=3 1363 B8R0.1 C=CCC(O)CNCF c0bdf6f8ca06080a80ef62d0a41a2190 [1,1,0,0,0,0|2,0,0]=4 1364 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [1,1,0,0,0,0|2,0,0]=4 1365 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [1,1,0,0,0,0|1,0,0]=3 1366 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [1,1,0,0,0,0|2,0,0]=4 1367 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [1,1,0,0,0,0|1,0,0]=3 1368 B8R0.1 C=CCCN(C)CCF 835eed401a0b6b3a5be304461679a35c [1,1,0,0,0,0|2,0,0]=4 1369 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [1,1,0,0,0,0|2,0,0]=4 1370 B8R0.1 C=CCCN(C)CCS f218cadc93d673ae19aa3c1af9e0544c [1,1,0,0,0,0|2,0,0]=4 1371 B8R0.1 C=CCCN(C)COC 3f390760d606763d10d3e6dd76b889ee [1,1,0,0,0,0|2,0,0]=4 1372 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [1,1,0,0,0,0|2,0,0]=4 1373 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [1,1,0,0,0,0|1,0,0]=3 1374 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [1,1,0,0,0,0|2,0,0]=4 1375 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [1,1,0,0,0,0|1,0,0]=3 1376 B8R0.1 C=CCN(C)CCCF 321f3b1711738193a09039846d139e57 [1,1,0,0,0,0|2,0,0]=4 1377 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [1,1,0,0,0,0|2,0,0]=4 1378 B8R0.1 C=CCN(C)CCCS 61cf49fc564e4db05ae16346ec0e4e78 [1,1,0,0,0,0|2,0,0]=4 1379 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [1,1,0,0,0,0|2,0,0]=4 1380 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [1,1,0,0,0,0|2,0,0]=4 1381 B8R0.1 C=CCN(C)COCC 5ff4c124ad3f579f89631f8abd7975f7 [1,1,0,0,0,0|2,0,0]=4 1382 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [1,1,0,0,0,0|1,0,0]=3 1383 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [1,1,0,0,0,0|2,0,0]=4 1384 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [1,1,0,0,0,0|2,0,0]=4 1385 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [1,1,0,0,0,0|1,0,0]=3 1386 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [1,1,0,0,0,0|2,0,0]=4 1387 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [1,1,0,0,0,0|2,0,0]=4 1388 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [1,1,0,0,0,0|2,0,0]=4 1389 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [1,1,0,0,0,0|2,0,0]=4 1390 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [1,1,0,0,0,0|1,0,1]=4 1391 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [1,1,0,0,0,0|1,0,0]=3 1392 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [1,1,0,0,0,0|2,0,0]=4 1393 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [1,1,0,0,0,0|2,0,0]=4 1394 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [1,1,0,0,0,0|1,0,0]=3 1395 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [1,1,0,0,0,0|2,0,0]=4 1396 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [1,1,0,0,0,0|1,0,0]=3 1397 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [1,1,0,0,0,0|2,0,0]=4 1398 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [1,1,0,0,0,0|1,0,0]=3 1399 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [1,1,0,0,0,0|2,0,0]=4 1400 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [1,1,0,0,0,0|2,0,0]=4 1401 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [1,1,0,0,0,0|2,0,0]=4 1402 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [1,1,0,0,0,0|2,0,0]=4 1403 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [1,1,0,0,0,0|1,0,0]=3 1404 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [1,1,0,0,0,0|2,0,0]=4 1405 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [1,1,0,0,0,0|2,0,0]=4 1406 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [1,1,0,0,0,0|2,0,0]=4 1407 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [1,1,0,0,0,0|2,0,0]=4 1408 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [1,1,0,0,0,0|2,0,0]=4 1409 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [1,1,0,0,0,0|2,0,0]=4 1410 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [1,1,0,0,0,0|2,0,0]=4 1411 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [1,1,0,0,0,0|2,0,0]=4 1412 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [1,1,0,0,0,0|2,0,0]=4 1413 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [1,1,0,0,0,0|2,0,0]=4 1414 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [1,1,0,0,0,0|2,0,0]=4 1415 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [1,1,0,0,0,0|2,0,0]=4 1416 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [1,1,0,0,0,0|2,0,0]=4 1417 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [1,1,0,0,0,0|2,0,0]=4 1418 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [1,1,0,0,0,0|0,0,2]=4 1419 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [1,1,0,0,0,0|0,0,2]=4 1420 B8R0.4 C#CCCCNCC=C 5f2e28ed26be6b1918542a15db0ea2dd [1,1,0,0,0,0|0,0,2]=4 1421 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [1,1,0,0,0,0|0,0,2]=4 1422 B8R0.4 C#CCCCOCC=C c39c47b680023e071738dee179943a8b [1,1,0,0,0,0|0,0,2]=4 1423 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [1,1,0,0,0,0|0,0,2]=4 1424 B8R0.4 C#CCCNCCC=C 9794b7468c99ece409ea6b212e97182c [1,1,0,0,0,0|0,0,2]=4 1425 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [1,1,0,0,0,0|0,0,2]=4 1426 B8R0.4 C#CCCOCCC=C 4c8b9c2c0d72c631a7974d3087fff62e [1,1,0,0,0,0|0,0,2]=4 1427 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [1,1,0,0,0,0|0,0,2]=4 1428 B8R0.4 C#CCNCCCC=C 7b26c6616ec148321d3d4ce1e87fbe89 [1,1,0,0,0,0|0,0,2]=4 1429 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [1,1,0,0,0,0|0,0,2]=4 1430 B8R0.4 C#CCOCCCC=C 556d0cf131aedf00ec9b50a54ed64d0e [1,1,0,0,0,0|0,0,2]=4 1431 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [1,1,0,0,0,0|0,0,2]=4 1432 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [1,1,0,0,0,0|1,0,0]=3 1433 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [1,1,0,0,0,0|2,0,0]=4 1434 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [1,1,0,0,0,0|1,0,0]=3 1435 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [1,1,0,0,0,0|2,0,0]=4 1436 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [1,1,0,0,0,0|2,0,0]=4 1437 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [1,1,0,0,0,0|2,0,0]=4 1438 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [1,1,0,0,0,0|2,0,0]=4 1439 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [1,1,0,0,0,0|1,0,0]=3 1440 B8R0.4 C/C=C/CNCCCCl 03ba0747791691f90dfc81ef7ba2974e [1,1,0,0,0,0|2,0,0]=4 1441 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [1,1,0,0,0,0|2,0,0]=4 1442 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [1,1,0,0,0,0|2,0,0]=4 1443 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [1,1,0,0,0,0|2,0,0]=4 1444 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [1,1,0,0,0,0|1,0,0]=3 1445 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [1,1,0,0,0,0|2,0,0]=4 1446 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [1,1,0,0,0,0|2,0,0]=4 1447 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [1,1,0,0,0,0|2,0,0]=4 1448 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [1,1,0,0,0,0|2,0,0]=4 1449 B8R0.4 C/C=C/COCOCC 83fafc5a971bddf153afd7782635012a [1,1,0,0,0,0|2,0,0]=4 1450 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [1,1,0,0,0,0|1,0,0]=3 1451 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [1,1,0,0,0,0|2,0,0]=4 1452 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [1,1,0,0,0,0|1,0,0]=3 1453 B8R0.4 C/C=C\CNCCCCl 3f4156c1c818ac8938afc4c777ade544 [1,1,0,0,0,0|2,0,0]=4 1454 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [1,1,0,0,0,0|2,0,0]=4 1455 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [1,1,0,0,0,0|2,0,0]=4 1456 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [1,1,0,0,0,0|2,0,0]=4 1457 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [1,1,0,0,0,0|1,0,0]=3 1458 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [1,1,0,0,0,0|2,0,0]=4 1459 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [1,1,0,0,0,0|2,0,0]=4 1460 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [1,1,0,0,0,0|2,0,0]=4 1461 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [1,1,0,0,0,0|2,0,0]=4 1462 B8R0.4 C/C=C\COCOCC 8821190837d805b84bead9ce40320be3 [1,1,0,0,0,0|2,0,0]=4 1463 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [1,1,0,0,0,0|0,0,2]=4 1464 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [1,1,0,0,0,0|1,0,0]=3 1465 B8R0.4 C=C=CCCOCCF f40e7017906a65586f65aa56e6d85ac0 [1,1,0,0,0,0|2,0,0]=4 1466 B8R0.4 C=C=CCCOCCS 723ca99ff484a460d7bc5e5895255b76 [1,1,0,0,0,0|2,0,0]=4 1467 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [1,1,0,0,0,0|2,0,0]=4 1468 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [1,1,0,0,0,0|2,0,0]=4 1469 B8R0.4 C=CCCCCNC#N 144e7067f30cd1f273087bf1eaa24e3b [1,1,0,0,0,0|1,0,1]=4 1470 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [1,1,0,0,0,0|1,0,1]=4 1471 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [1,1,0,0,0,0|0,0,0]=2 1472 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [1,1,0,0,0,0|1,0,0]=3 1473 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [1,1,0,0,0,0|1,0,0]=3 1474 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [1,1,0,0,0,0|0,0,0]=2 1475 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [1,1,0,0,0,0|1,0,0]=3 1476 B8R0.4 C=CCCCNCC#N 2bf4426d43ec9f9f1def9c32c3027020 [1,1,0,0,0,0|1,0,1]=4 1477 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [1,1,0,0,0,0|0,0,2]=4 1478 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [1,1,0,0,0,0|1,0,1]=4 1479 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [1,1,0,0,0,0|1,0,0]=3 1480 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [1,1,0,0,0,0|0,0,0]=2 1481 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [1,1,0,0,0,0|1,0,0]=3 1482 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [1,1,0,0,0,0|1,0,0]=3 1483 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [1,1,0,0,0,0|1,0,0]=3 1484 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [1,1,0,0,0,0|1,0,0]=3 1485 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [1,1,0,0,0,0|1,0,0]=3 1486 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [1,1,0,0,0,0|1,0,0]=3 1487 B8R0.4 C=CCCCOCC#N 36a4f055e6fa3409a40c78c0ef4cc152 [1,1,0,0,0,0|1,0,1]=4 1488 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [1,1,0,0,0,0|0,0,2]=4 1489 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [1,1,0,0,0,0|1,0,1]=4 1490 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [1,1,0,0,0,0|0,0,0]=2 1491 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [1,1,0,0,0,0|1,0,0]=3 1492 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [1,1,0,0,0,0|1,0,0]=3 1493 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [1,1,0,0,0,0|1,0,0]=3 1494 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [1,1,0,0,0,0|1,0,0]=3 1495 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [1,1,0,0,0,0|0,0,2]=4 1496 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [1,1,0,0,0,0|0,0,2]=4 1497 B8R0.4 C=CCCNCC#CC 7f8989a42da922606b9fcbe1f24f3f02 [1,1,0,0,0,0|0,0,2]=4 1498 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [1,1,0,0,0,0|0,0,2]=4 1499 B8R0.4 C=CCCNCCC#N f719cf7d78ddfa76caccd938bd442473 [1,1,0,0,0,0|1,0,1]=4 1500 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [1,1,0,0,0,0|0,0,2]=4 1501 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [1,1,0,0,0,0|1,0,1]=4 1502 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [1,1,0,0,0,0|0,0,0]=2 1503 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [1,1,0,0,0,0|1,0,0]=3 1504 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [1,1,0,0,0,0|1,0,0]=3 1505 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [1,1,0,0,0,0|1,0,0]=3 1506 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [1,1,0,0,0,0|1,0,0]=3 1507 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [1,1,0,0,0,0|1,0,0]=3 1508 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [1,1,0,0,0,0|2,0,0]=4 1509 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [1,1,0,0,0,0|1,0,0]=3 1510 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [1,1,0,0,0,0|1,0,0]=3 1511 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [1,1,0,0,0,0|0,0,2]=4 1512 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [1,1,0,0,0,0|0,0,2]=4 1513 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [1,1,0,0,0,0|0,0,2]=4 1514 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [1,1,0,0,0,0|0,0,2]=4 1515 B8R0.4 C=CCCOCCC#N 2bfce7ca5ed408d1d77221a58b62d5a6 [1,1,0,0,0,0|1,0,1]=4 1516 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [1,1,0,0,0,0|0,0,2]=4 1517 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [1,1,0,0,0,0|1,0,1]=4 1518 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [1,1,0,0,0,0|0,0,0]=2 1519 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [1,1,0,0,0,0|1,0,0]=3 1520 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [1,1,0,0,0,0|1,0,0]=3 1521 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [1,1,0,0,0,0|1,0,0]=3 1522 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [1,1,0,0,0,0|1,0,0]=3 1523 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [1,1,0,0,0,0|1,0,0]=3 1524 B8R0.4 C=CCNCCCC#N 8521448e28d98e46acf61325c1c4270c [1,1,0,0,0,0|1,0,1]=4 1525 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [1,1,0,0,0,0|0,0,0]=2 1526 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [1,1,0,0,0,0|1,0,0]=3 1527 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [1,1,0,0,0,0|1,0,0]=3 1528 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [1,1,0,0,0,0|1,0,0]=3 1529 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [1,1,0,0,0,0|1,0,0]=3 1530 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [1,1,0,0,0,0|1,0,0]=3 1531 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [1,1,0,0,0,0|1,0,0]=3 1532 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [1,1,0,0,0,0|1,0,0]=3 1533 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [1,1,0,0,0,0|0,0,2]=4 1534 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [1,1,0,0,0,0|0,0,2]=4 1535 B8R0.4 C=CCOCC#CCC e93830f1b81bde8f6a6e3c15b2a5f650 [1,1,0,0,0,0|0,0,2]=4 1536 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [1,1,0,0,0,0|0,0,2]=4 1537 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [1,1,0,0,0,0|0,0,2]=4 1538 B8R0.4 C=CCOCCCC#N fbac1a9d5bf58d32ba9354cad3593c29 [1,1,0,0,0,0|1,0,1]=4 1539 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [1,1,0,0,0,0|1,0,1]=4 1540 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [1,1,0,0,0,0|0,0,0]=2 1541 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [1,1,0,0,0,0|1,0,0]=3 1542 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [1,1,0,0,0,0|1,0,0]=3 1543 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [1,1,0,0,0,0|1,0,0]=3 1544 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [1,1,0,0,0,0|1,0,0]=3 1545 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [1,1,0,0,0,0|1,0,0]=3 1546 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [1,1,0,0,0,0|2,0,0]=4 1547 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [1,1,0,0,0,0|1,0,0]=3 1548 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [1,1,0,0,0,0|1,0,0]=3 1549 B8R0.4 C=COCCCNCF e07e5c3e606b8ffc18f594f94beea595 [1,1,0,0,0,0|2,0,0]=4 1550 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [1,1,0,0,0,0|2,0,0]=4 1551 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [1,1,0,0,0,0|1,0,0]=3 1552 B8R0.4 C=COCCNCCF c4db30a75b11ac3d125d39aaa0bafcf8 [1,1,0,0,0,0|2,0,0]=4 1553 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [1,1,0,0,0,0|2,0,0]=4 1554 B8R0.4 C=COCCNCCS 99e314c6d18b5e25ff66e5c7d4cb0d17 [1,1,0,0,0,0|2,0,0]=4 1555 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [1,1,0,0,0,0|2,0,0]=4 1556 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [1,1,0,0,0,0|2,0,0]=4 1557 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [1,1,0,0,0,0|1,0,0]=3 1558 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [1,1,0,0,0,0|2,0,0]=4 1559 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [1,1,0,0,0,0|2,0,0]=4 1560 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [1,1,0,0,0,0|2,0,0]=4 1561 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [1,1,0,0,0,0|2,0,0]=4 1562 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [1,1,0,0,0,0|1,0,0]=3 1563 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [1,1,0,0,0,0|2,0,0]=4 1564 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [1,1,0,0,0,0|1,0,0]=3 1565 B8R0.4 CC=CCNCCCF b3c3f7a07d4c683b1310ea54eec73a0a [1,1,0,0,0,0|2,0,0]=4 1566 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [1,1,0,0,0,0|2,0,0]=4 1567 B8R0.4 CC=CCNCCCS 66bf4e52cf6c2fcd14ea89881803176b [1,1,0,0,0,0|2,0,0]=4 1568 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [1,1,0,0,0,0|2,0,0]=4 1569 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [1,1,0,0,0,0|2,0,0]=4 1570 B8R0.4 CC=CCNCOCC ec3de25e8441ecebf1cd78a295955e10 [1,1,0,0,0,0|2,0,0]=4 1571 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [1,1,0,0,0,0|1,0,0]=3 1572 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [1,1,0,0,0,0|2,0,0]=4 1573 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [1,1,0,0,0,0|2,0,0]=4 1574 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [1,1,0,0,0,0|2,0,0]=4 1575 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [1,1,0,0,0,0|2,0,0]=4 1576 B8R0.4 CC=CCOCOCC c8fa9800ff7a3ee66628e2aa963defd9 [1,1,0,0,0,0|2,0,0]=4 1577 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [1,1,0,0,0,0|1,0,1]=4 1578 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [1,1,0,0,0,0|1,0,0]=3 1579 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [1,1,0,0,0,0|0,0,2]=4 1580 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [1,1,0,0,0,0|1,0,1]=4 1581 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [1,1,0,0,0,0|1,0,1]=4 1582 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [1,1,0,0,0,0|0,0,2]=4 1583 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [1,1,0,0,0,0|1,0,1]=4 1584 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [1,1,0,0,0,0|1,0,1]=4 1585 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [1,1,0,0,0,0|1,0,0]=3 1586 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [1,1,0,0,0,0|1,0,1]=4 1587 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [1,1,0,0,0,0|0,0,2]=4 1588 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [1,1,0,0,0,0|1,0,1]=4 1589 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [1,1,0,0,0,0|1,0,1]=4 1590 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [1,1,0,0,0,0|1,0,1]=4 1591 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [1,1,0,0,0,0|1,0,1]=4 1592 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [1,1,0,0,0,0|1,0,1]=4 1593 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [1,1,0,0,0,0|1,0,1]=4 1594 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [1,1,0,0,0,0|1,0,1]=4 1595 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [1,1,0,0,0,0|1,0,0]=3 1596 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [1,1,0,0,0,0|0,0,2]=4 1597 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [1,1,0,0,0,0|1,0,1]=4 1598 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [1,1,0,0,0,0|1,0,1]=4 1599 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [1,1,0,0,0,0|1,0,1]=4 1600 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [1,1,0,0,0,0|1,0,1]=4 1601 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [1,1,0,0,0,0|1,0,0]=3 1602 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [1,1,0,0,0,0|1,0,0]=3 1603 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [1,1,0,0,0,0|1,0,0]=3 1604 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [1,1,0,0,0,0|1,0,1]=4 1605 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [1,1,0,0,0,0|1,0,0]=3 1606 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [1,1,0,0,0,0|0,0,2]=4 1607 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [1,1,0,0,0,0|1,0,1]=4 1608 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [1,1,0,0,0,0|1,0,1]=4 1609 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [1,1,0,0,0,0|1,0,1]=4 1610 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [1,1,0,0,0,0|1,0,1]=4 1611 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [1,1,0,0,0,0|1,0,1]=4 1612 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [1,1,0,0,0,0|2,0,0]=4 1613 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [1,1,0,0,0,0|1,0,1]=4 1614 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [1,1,0,0,0,0|1,0,0]=3 1615 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [1,1,0,0,0,0|1,0,0]=3 1616 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [1,1,0,0,0,0|1,0,0]=3 1617 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [1,1,0,0,0,0|1,0,1]=4 1618 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [1,1,0,0,0,0|1,0,0]=3 1619 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [1,1,0,0,0,0|0,0,2]=4 1620 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [1,1,0,0,0,0|1,0,1]=4 1621 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [1,1,0,0,0,0|1,0,1]=4 1622 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [1,1,0,0,0,0|1,0,1]=4 1623 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [1,1,0,0,0,0|1,0,1]=4 1624 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [1,1,0,0,0,0|1,0,1]=4 1625 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [1,1,0,0,0,0|1,0,0]=3 1626 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [1,1,0,0,0,0|1,0,1]=4 1627 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [1,1,0,0,0,0|1,0,1]=4 1628 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [1,1,0,0,0,0|1,0,1]=4 1629 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [1,1,0,0,0,0|1,0,1]=4 1630 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [1,1,0,0,0,0|1,0,1]=4 1631 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [1,1,0,0,0,0|1,0,1]=4 1632 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [1,1,0,0,0,0|1,0,1]=4 1633 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [1,1,0,0,0,0|1,0,1]=4 1634 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [1,1,0,0,0,0|1,0,0]=3 1635 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [1,1,0,0,0,0|1,0,1]=4 1636 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [1,1,0,0,0,0|1,0,1]=4 1637 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [1,1,0,0,0,0|1,0,1]=4 1638 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [1,1,0,0,0,0|1,0,1]=4 1639 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [1,1,0,0,0,0|2,0,0]=4 1640 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [1,1,0,0,0,0|2,0,0]=4 1641 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [1,1,0,0,0,0|1,0,1]=4 1642 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [1,1,0,0,0,0|1,0,1]=4 1643 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [1,1,0,0,0,0|1,0,1]=4 1644 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [1,1,0,0,0,0|1,0,1]=4 1645 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [1,1,0,0,0,0|1,0,1]=4 1646 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [1,1,0,0,0,0|1,0,1]=4 1647 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [1,1,0,0,0,0|1,0,0]=3 1648 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [1,1,0,0,0,0|1,0,1]=4 1649 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [1,1,0,0,0,0|1,0,1]=4 1650 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [1,1,0,0,0,0|2,0,0]=4 1651 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [1,1,0,0,0,0|2,0,0]=4 1652 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [1,1,0,0,0,0|2,0,0]=4 1653 B8R0.4 CCOCOC/C=C/Cl b81243be1fec54ca1946ebc28914fa2e [1,1,0,0,0,0|2,0,0]=4 1654 B8R0.4 CCOCOCC=CCl adddf26512072fc7b4e911d3418df700 [1,1,0,0,0,0|2,0,0]=4 1655 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [1,1,0,0,0,0|2,0,0]=4 1656 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [1,1,0,0,0,0|2,0,0]=4 1657 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [1,1,0,0,0,0|2,0,0]=4 1658 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [1,1,0,0,0,0|2,0,0]=4 1659 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [1,1,0,0,0,0|2,0,0]=4 1660 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [1,1,0,0,0,0|2,0,0]=4 1661 B8R0.4 COCCNC/C=C/Cl a1b1d935e54ca0f86ec0bed852c610ac [1,1,0,0,0,0|2,0,0]=4 1662 B8R0.4 COCCNC/C=C\Cl c7a8e03128e72f79d2ed62c3464a8f60 [1,1,0,0,0,0|2,0,0]=4 1663 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [1,1,0,0,0,0|2,0,0]=4 1664 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [1,1,0,0,0,0|2,0,0]=4 1665 B8R0.4 COCCOC/C=C/Cl d36d34f68994eec49dbe330cbe20d2f5 [1,1,0,0,0,0|2,0,0]=4 1666 B8R0.4 COCCOC/C=C\Cl acf4247a6be926b91c5b4657cbe20d44 [1,1,0,0,0,0|2,0,0]=4 1667 B8R0.4 COCCOCC=CCl e41d815adaeb1ef91516917472352b4f [1,1,0,0,0,0|2,0,0]=4 1668 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [1,1,0,0,0,0|2,0,0]=4 1669 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [1,1,0,0,0,0|2,0,0]=4 1670 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [1,1,0,0,0,0|2,0,0]=4 1671 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [1,1,0,0,0,0|2,0,0]=4 1672 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [1,1,0,0,0,0|2,0,0]=4 1673 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [1,1,0,0,0,0|2,0,0]=4 1674 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [1,1,0,0,0,0|2,0,0]=4 1675 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [1,1,0,0,0,0|2,0,0]=4 1676 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [1,1,0,0,0,0|2,0,0]=4 1677 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [1,1,0,0,0,0|2,0,0]=4 1678 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [1,1,0,0,0,0|2,0,0]=4 1679 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [1,1,0,0,0,0|2,0,0]=4 1680 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [1,1,0,0,0,0|2,0,0]=4 1681 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [1,1,0,0,0,0|2,0,0]=4 1682 B8R0.4 Cl/C=C/CNCCCCl 830bbf881e999b3825d47e52eefbc7b0 [1,1,0,0,0,0|2,0,0]=4 1683 B8R0.4 Cl/C=C\CNCCCCl 110f136b4a7f525cd83ce8b85f61bbdc [1,1,0,0,0,0|2,0,0]=4 1684 B8R0.4 FCCCOC/C=C/Cl d0967a8f6e4b1804a14872609cb362f2 [1,1,0,0,0,0|2,0,0]=4 1685 B8R0.4 FCCCOC/C=C\Cl b6e07429f21f1651e3a116b491d397df [1,1,0,0,0,0|2,0,0]=4 1686 B8R0.4 FCCCOCC=CCl 69b699909646a8b8bc7e63988bf97afa [1,1,0,0,0,0|2,0,0]=4 1687 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [1,1,0,0,0,0|2,0,0]=4 1688 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [1,1,0,0,0,0|2,0,0]=4 1689 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [1,1,0,0,0,0|2,0,0]=4 1690 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [1,1,0,0,0,0|2,0,0]=4 1691 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [1,1,0,0,0,0|2,0,0]=4 1692 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [1,1,0,0,0,0|2,0,0]=4 1693 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [1,1,0,0,0,0|2,0,0]=4 1694 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [1,1,0,0,0,0|2,0,0]=4 1695 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [1,1,0,0,0,0|2,0,0]=4 1696 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [1,1,0,0,0,0|2,0,0]=4 1697 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [1,1,0,0,0,0|2,0,0]=4 1698 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [1,1,0,0,0,0|2,0,0]=4 1699 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [1,1,0,0,0,0|2,0,0]=4 1700 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [1,1,0,0,0,0|2,0,0]=4 1701 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [1,1,0,0,0,0|2,0,0]=4 1702 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [1,1,0,0,0,0|2,0,0]=4 1703 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [1,1,0,0,0,0|2,0,0]=4 1704 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [1,1,0,0,0,0|2,0,0]=4 1705 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [1,1,0,0,0,0|2,0,0]=4 1706 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [1,1,0,0,0,0|2,0,0]=4 1707 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [1,1,0,0,0,0|2,0,0]=4 1708 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [1,1,0,0,0,0|2,0,0]=4 1709 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [1,1,0,0,0,0|2,0,0]=4 1710 B8R0.4 SCCCOC/C=C/Cl 1b26a01fb74c2d88bc9190b137e4e1c5 [1,1,0,0,0,0|2,0,0]=4 1711 B8R0.4 SCCCOC/C=C\Cl f58f711743b2331f21ad0ee68b68ed0e [1,1,0,0,0,0|2,0,0]=4 1712 B8R0.4 SCCCOCC=CCl aa3ff5774512124ae9b118d76b9ffcc9 [1,1,0,0,0,0|2,0,0]=4 1713 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [1,1,0,0,0,0|1,0,0]=3 1714 B8R0.7 C=C(Br)CCOCCF 9c9798a7b43efb90b886758df6a738de [1,1,0,0,0,0|2,0,0]=4 1715 B8R0.7 C=C(Br)CCOCCS 48b875edf0fb524e953a85b596cbf8dd [1,1,0,0,0,0|2,0,0]=4 1716 B8R0.7 C=C(Br)CCOCOC c1c84f126d3fd57a0b0e1be8314eb30f [1,1,0,0,0,0|2,0,0]=4 1717 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [1,1,0,0,0,0|2,0,0]=4 1718 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [1,1,0,0,0,0|1,0,0]=3 1719 B8R0.7 C=C(Br)CNCCCCl 5d2b43e8986d544e367241db5e9268ac [1,1,0,0,0,0|2,0,0]=4 1720 B8R0.7 C=C(Br)CNCCCF 51ab428a414cc4c9404ed8a51a5a7737 [1,1,0,0,0,0|2,0,0]=4 1721 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [1,1,0,0,0,0|2,0,0]=4 1722 B8R0.7 C=C(Br)CNCCCS b0b9d90e638f2808750705a6c9ac139a [1,1,0,0,0,0|2,0,0]=4 1723 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [1,1,0,0,0,0|2,0,0]=4 1724 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [1,1,0,0,0,0|2,0,0]=4 1725 B8R0.7 C=C(Br)CNCOCC dba29b361cca4942dba533d01e62fe36 [1,1,0,0,0,0|2,0,0]=4 1726 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [1,1,0,0,0,0|1,0,0]=3 1727 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [1,1,0,0,0,0|2,0,0]=4 1728 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [1,1,0,0,0,0|2,0,0]=4 1729 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [1,1,0,0,0,0|2,0,0]=4 1730 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [1,1,0,0,0,0|2,0,0]=4 1731 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [1,1,0,0,0,0|1,0,0]=3 1732 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [1,1,0,0,0,0|2,0,0]=4 1733 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [1,1,0,0,0,0|2,0,0]=4 1734 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [1,1,0,0,0,0|1,0,0]=3 1735 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [1,1,0,0,0,0|2,0,0]=4 1736 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [1,1,0,0,0,0|2,0,0]=4 1737 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [1,1,0,0,0,0|2,0,0]=4 1738 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [1,1,0,0,0,0|2,0,0]=4 1739 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [1,1,0,0,0,0|2,0,0]=4 1740 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [1,1,0,0,0,0|2,0,0]=4 1741 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [1,1,0,0,0,0|1,0,0]=3 1742 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [1,1,0,0,0,0|2,0,0]=4 1743 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [1,1,0,0,0,0|2,0,0]=4 1744 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [1,1,0,0,0,0|2,0,0]=4 1745 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [1,1,0,0,0,0|2,0,0]=4 1746 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [1,1,0,0,0,0|1,0,0]=3 1747 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [1,1,0,0,0,0|2,0,0]=4 1748 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [1,1,0,0,0,0|2,0,0]=4 1749 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [1,1,0,0,0,0|2,0,0]=4 1750 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [1,1,0,0,0,0|2,0,0]=4 1751 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [1,1,0,0,0,0|2,0,0]=4 1752 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [1,1,0,0,0,0|2,0,0]=4 1753 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [1,1,0,0,0,0|2,0,0]=4 1754 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [1,1,0,0,0,0|1,0,0]=3 1755 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [1,1,0,0,0,0|2,0,0]=4 1756 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [1,1,0,0,0,0|2,0,0]=4 1757 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [1,1,0,0,0,0|2,0,0]=4 1758 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [1,1,0,0,0,0|2,0,0]=4 1759 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [1,1,0,0,0,0|2,0,0]=4 1760 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [1,1,0,0,0,0|1,0,0]=3 1761 B8R0.7 C=C(Cl)CNCCCCl ebbec9e24712b23eb0ae6771f8e7becf [1,1,0,0,0,0|2,0,0]=4 1762 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [1,1,0,0,0,0|2,0,0]=4 1763 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [1,1,0,0,0,0|2,0,0]=4 1764 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [1,1,0,0,0,0|2,0,0]=4 1765 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [1,1,0,0,0,0|1,0,0]=3 1766 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [1,1,0,0,0,0|2,0,0]=4 1767 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [1,1,0,0,0,0|2,0,0]=4 1768 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [1,1,0,0,0,0|2,0,0]=4 1769 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [1,1,0,0,0,0|2,0,0]=4 1770 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [1,1,0,0,0,0|2,0,0]=4 1771 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [1,1,0,0,0,0|1,0,0]=3 1772 B8R0.7 C=C(F)CNCCCCl 8d59dce5957364b9e5381ffb12e4c05a [1,1,0,0,0,0|2,0,0]=4 1773 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [1,1,0,0,0,0|2,0,0]=4 1774 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [1,1,0,0,0,0|2,0,0]=4 1775 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [1,1,0,0,0,0|2,0,0]=4 1776 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [1,1,0,0,0,0|1,0,0]=3 1777 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [1,1,0,0,0,0|2,0,0]=4 1778 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [1,1,0,0,0,0|2,0,0]=4 1779 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [1,1,0,0,0,0|2,0,0]=4 1780 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [1,1,0,0,0,0|2,0,0]=4 1781 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [1,1,0,0,0,0|1,0,0]=3 1782 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [1,1,0,0,0,0|2,0,0]=4 1783 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [1,1,0,0,0,0|2,0,0]=4 1784 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [1,1,0,0,0,0|2,0,0]=4 1785 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [1,1,0,0,0,0|2,0,0]=4 1786 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [1,1,0,0,0,0|2,0,0]=4 1787 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [1,1,0,0,0,0|1,0,1]=4 1788 B8R0.7 C=CCCCNC(C)C 894cae9fc935a78c0b067be4248ffc85 [1,1,0,0,0,0|1,0,0]=3 1789 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [1,1,0,0,0,0|1,0,0]=3 1790 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [1,1,0,0,0,0|1,0,1]=4 1791 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [1,1,0,0,0,0|1,0,1]=4 1792 B8R0.7 C=CCCNCC(C)C 1982685da06926e0cc923f857859a0da [1,1,0,0,0,0|1,0,0]=3 1793 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [1,1,0,0,0,0|1,0,0]=3 1794 B8R0.7 C=CCCNCC(F)F 2fe0f00eb635a3bb191031cd7d95e772 [1,1,0,0,0,0|2,0,0]=4 1795 B8R0.7 C=CCCNCN(C)C eceb5ac379e24d8757be166f331f1f73 [1,1,0,0,0,0|2,0,0]=4 1796 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [1,1,0,0,0,0|1,0,0]=3 1797 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [1,1,0,0,0,0|1,0,0]=3 1798 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [1,1,0,0,0,0|1,0,1]=4 1799 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [1,1,0,0,0,0|1,0,1]=4 1800 B8R0.7 C=CCCOCC(C)C f8f56569331f47ab6b85f26977d0706c [1,1,0,0,0,0|1,0,0]=3 1801 B8R0.7 C=CCCOCC(C)F 35268cb4c3d8d39c50e552ba36723a50 [1,1,0,0,0,0|1,0,0]=3 1802 B8R0.7 C=CCCOCC(C)S 0b13fb2271dc81ae4874cca9b955c6d8 [1,1,0,0,0,0|1,0,0]=3 1803 B8R0.7 C=CCCOCC(F)F 6260197839e9b0bd53c38105376f5ce4 [1,1,0,0,0,0|2,0,0]=4 1804 B8R0.7 C=CCCOCN(C)C 5bd37421946c502614179aa125c68111 [1,1,0,0,0,0|2,0,0]=4 1805 B8R0.7 C=CCCOC[C@@H](C)F 33ed1a4a48834dadd0ef0c94077124ed [1,1,0,0,0,0|1,0,0]=3 1806 B8R0.7 C=CCCOC[C@H](C)F f03681ee0a33fbb7ce4605edeb70867a [1,1,0,0,0,0|1,0,0]=3 1807 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [1,1,0,0,0,0|1,0,1]=4 1808 B8R0.7 C=CCNCCC(C)C 02f8ade1f1fe2a42fcd16f311d553eac [1,1,0,0,0,0|1,0,0]=3 1809 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [1,1,0,0,0,0|1,0,0]=3 1810 B8R0.7 C=CCNCCC(F)F 00feac2f022fbea9446017d3a5daab19 [1,1,0,0,0,0|2,0,0]=4 1811 B8R0.7 C=CCNCCN(C)C 1b3ce81826c26bea5ab385b244bc798b [1,1,0,0,0,0|2,0,0]=4 1812 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [1,1,0,0,0,0|2,0,0]=4 1813 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [1,1,0,0,0,0|1,0,0]=3 1814 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [1,1,0,0,0,0|1,0,0]=3 1815 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [1,1,0,0,0,0|1,0,1]=4 1816 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [1,1,0,0,0,0|1,0,1]=4 1817 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [1,1,0,0,0,0|1,0,0]=3 1818 B8R0.7 C=CCOCCC(F)F b5e1a9f7594fe176cf88dcb350f843cd [1,1,0,0,0,0|2,0,0]=4 1819 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [1,1,0,0,0,0|2,0,0]=4 1820 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [1,1,0,0,0,0|2,0,0]=4 1821 B8R0.7 C=COCCNC(C)C add3040c31282427bcf36ce2a3978af4 [1,1,0,0,0,0|2,0,0]=4 1822 B8R0.7 C=COCCOC(C)C 5cd8e52b6baa2e7d14f9120affa1c52b [1,1,0,0,0,0|2,0,0]=4 1823 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [1,1,0,0,0,0|2,0,0]=4 1824 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [1,1,0,0,0,0|2,0,0]=4 1825 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [1,1,0,0,0,0|2,0,0]=4 1826 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [1,1,0,0,0,0|2,0,0]=4 1827 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [1,1,0,0,0,0|2,0,0]=4 1828 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [1,1,0,0,0,0|2,0,0]=4 1829 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [1,1,0,0,0,0|2,0,0]=4 1830 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [1,1,0,0,0,0|2,0,0]=4 1831 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [1,1,0,0,0,0|2,0,0]=4 1832 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [1,1,0,0,0,0|2,0,0]=4 1833 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [1,1,0,0,0,0|1,0,1]=4 1834 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [1,1,0,0,0,0|1,0,1]=4 1835 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [1,1,0,0,0,0|2,0,0]=4 1836 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [1,1,0,0,0,0|2,0,0]=4 1837 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [1,1,0,0,0,0|1,0,1]=4 1838 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [1,1,0,0,0,0|2,0,0]=4 1839 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [1,1,0,0,0,0|2,0,0]=4 1840 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [1,1,0,0,0,0|2,0,0]=4 1841 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [1,1,0,0,0,0|1,0,1]=4 1842 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [1,1,0,0,0,0|2,0,0]=4 1843 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,1,0,0,0,0|2,0,0]=4 1844 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [1,1,0,0,0,0|2,0,0]=4 1845 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [1,1,0,0,0,0|1,0,1]=4 1846 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [1,1,0,0,0,0|2,0,0]=4 1847 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,1,0,0,0,0|2,0,0]=4 1848 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [1,1,0,0,0,0|2,0,0]=4 1849 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [1,1,0,0,0,0|2,0,0]=4 1850 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [1,1,0,0,0,0|1,0,1]=4 1851 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [1,1,0,0,0,0|2,0,0]=4 1852 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [1,1,0,0,0,0|2,0,0]=4 1853 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [1,1,0,0,0,0|2,0,0]=4 1854 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [1,1,0,0,0,0|2,0,0]=4 1855 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [1,1,0,0,0,0|2,0,0]=4 1856 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [1,1,0,0,0,0|2,0,0]=4 1857 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [1,1,0,0,0,0|2,0,0]=4 1858 B8R0.3 C=CC(C)N(C)CCC dcaf3d979e8229a6a7227fc47437ea40 [1,1,0,0,0,0|2,0,0]=4 1859 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [1,1,0,0,0,0|2,0,0]=4 1860 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [1,1,0,0,0,0|2,0,0]=4 1861 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [1,1,0,0,0,0|2,0,0]=4 1862 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [1,1,0,0,0,0|2,0,0]=4 1863 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [1,1,0,0,0,0|2,0,0]=4 1864 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [1,1,0,0,0,0|2,0,0]=4 1865 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [1,1,0,0,0,0|2,0,0]=4 1866 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [1,1,0,0,0,0|2,0,0]=4 1867 B8R0.9 C=CC(C)COC(C)C 19cf5fe9d616c2621a235c9cc79e808d [1,1,0,0,0,0|2,0,0]=4 1868 B8R0.9 C=CC(C)NCC(C)C 7a35880eed0ef215a0c00470a636579c [1,1,0,0,0,0|2,0,0]=4 1869 B8R0.9 C=CC(C)NCC(C)O 5144cb9722b00c930d39b008230dd71b [1,1,0,0,0,0|2,0,0]=4 1870 B8R0.9 C=CC(C)NC[C@@H](C)O 6cab4c064f4e4a3576f4614dc457cfe2 [1,1,0,0,0,0|2,0,0]=4 1871 B8R0.9 C=CC(C)NC[C@H](C)O aa1119f23f12ec0262686c78c2712eec [1,1,0,0,0,0|2,0,0]=4 1872 B8R0.9 C=CC(C)OCC(C)C 71af5c71e84583a0ab5121668b3ae2e9 [1,1,0,0,0,0|2,0,0]=4 1873 B8R0.9 C=CC(C)OCC(C)F 0042c0a7d8106728b1eea817db903cdd [1,1,0,0,0,0|2,0,0]=4 1874 B8R0.9 C=CC(C)OCC(C)S e29952298d4142c307e95f6fe542e21e [1,1,0,0,0,0|2,0,0]=4 1875 B8R0.9 C=CC(C)OC[C@@H](C)F d2223c8cf7072146d3527eed3a3a161d [1,1,0,0,0,0|2,0,0]=4 1876 B8R0.9 C=CC(C)OC[C@H](C)F 5080369e03b7a37278437f5c44a0145f [1,1,0,0,0,0|2,0,0]=4 1877 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [1,1,0,0,0,0|1,0,1]=4 1878 B8R0.9 C=CC(O)CNC(C)C 254002c1439ccf47813784fa50338918 [1,1,0,0,0,0|1,0,0]=3 1879 B8R0.9 C=C[C@H](C)OCC(C)C 275b6c20fe3580ee4a4871d9838c8c79 [1,1,0,0,0,0|2,0,0]=4 1880 B8R0.11 C#CC(C=C)OCCC 014d44756b52de3dcfb3ac07bca77abe [1,1,0,0,0,0|2,0,0]=4 1881 B8R0.11 C=CC(C=C)OCCC 0eb8e1875fc000470def9b6dcff1b924 [1,1,0,0,0,0|2,0,0]=4 1882 B8R0.11 C=CC(CC)OCCC 105fea4587e7e9d452a89f90aa2748e8 [1,1,0,0,0,0|2,0,0]=4 1883 B8R0.11 C=C[C@@H](CO)NCCC dbf80c876fbb8dcf06535205d9e2b255 [1,1,0,0,0,0|1,0,0]=3 1884 B8R0.11 C=C[C@@H](CO)NCCF 7360bfe71c6608a9714d8065c084a0de [1,1,0,0,0,0|2,0,0]=4 1885 B8R0.11 C=C[C@@H](CO)NCCO 70da69a0d043cb17907bdb5cbae75f95 [1,1,0,0,0,0|2,0,0]=4 1886 B8R0.11 C=C[C@@H](CO)NCCS f674ac0aa0e41fadcc5d0177ae3ce30f [1,1,0,0,0,0|2,0,0]=4 1887 B8R0.11 C=C[C@@H](CO)NCOC 0153530615bf1a82e20beea532a20ae7 [1,1,0,0,0,0|2,0,0]=4 1888 B8R0.11 C=C[C@@H](CO)NCSC de61dd601a1d75bc767e90a7378569d3 [1,1,0,0,0,0|2,0,0]=4 1889 B8R0.19 C=CC(C)NC(C)CC e9ebdce484176221c839f82d3478dfcf [1,1,0,0,0,0|2,0,0]=4 1890 B8R0.19 C=CC(C)N[C@@H](C)CC 2f0eb31eec332386adfd7c08306c8c8e [1,1,0,0,0,0|2,0,0]=4 1891 B8R0.19 C=CC(C)N[C@H](C)CC 89c11e3a57bbd19c7277e9fb736a8310 [1,1,0,0,0,0|2,0,0]=4 1892 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [1,1,0,0,0,0|2,0,0]=4 1893 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [1,1,0,0,0,0|2,0,0]=4 1894 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [1,1,0,0,0,0|2,0,0]=4 1895 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [1,1,0,0,0,0|2,0,0]=4 1896 B8R0.25 C=CC(C)(C)COCC 092152ae0505f84656e6afc6a71d8bf4 [1,1,0,0,0,0|2,0,0]=4 1897 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [1,1,0,0,0,0|1,0,1]=4 1898 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [1,1,0,0,0,0|1,0,1]=4 1899 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [1,1,0,0,0,0|1,0,1]=4 1900 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [1,1,0,0,0,0|1,0,1]=4 1901 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [1,1,0,0,0,0|1,0,1]=4 1902 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [1,1,0,0,0,0|1,0,1]=4 1903 B8R0.21 CCNCCC(C)(C)O 7d616527998e37b4e6709c30ce776bec [1,1,0,0,0,0|1,0,1]=4 1904 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [1,1,0,0,0,0|1,0,1]=4 1905 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [1,1,0,0,0,0|1,0,1]=4 1906 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [1,1,0,0,0,0|1,0,1]=4 1907 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [1,1,0,0,0,0|1,0,1]=4 1908 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [1,1,0,0,0,0|1,0,1]=4 1909 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [1,1,0,0,0,0|1,0,1]=4 1910 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [1,1,0,0,0,0|1,0,1]=4 1911 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [1,1,0,0,0,0|1,0,1]=4 1912 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [1,1,0,0,0,0|1,0,1]=4 1913 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [1,1,0,0,0,0|1,0,1]=4 1914 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [1,1,0,0,0,0|1,0,1]=4 1915 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [1,1,0,0,0,0|1,0,1]=4 1916 B10R0.3 C/C=C/C(C)OCCC(C)C 814f66a1f35f309b65701fba795172c1 [0,2,0,0,0,0|2,0,0]=4 1917 B10R0.3 C=CCC(C)CNCC(C)C 1d9dc8d8b0cfa23d71643e5c0a1f8515 [0,2,0,0,0,0|2,0,0]=4 1918 B10R0.3 C=CCC(C)CNCC(C)O 3ae0f21ee19e7d128c12fd705de6ef25 [0,2,0,0,0,0|2,0,0]=4 1919 B10R0.3 C=CCC(C)CNC[C@@H](C)O 5427e322888ca0d2a7f9d20b14e5583c [0,2,0,0,0,0|2,0,0]=4 1920 B10R0.3 C=CCC(C)CNC[C@H](C)O ff8ed138bb9bbb240c6a9da5cd4ae22e [0,2,0,0,0,0|2,0,0]=4 1921 B10R0.3 C=CCC(C)COCC(C)C 9a25abfc68af863beab5afc7470f20af [0,2,0,0,0,0|2,0,0]=4 1922 B10R0.3 C=CCC(C)COCC(C)F e895d63c32132b8c47ab96a87392953a [0,2,0,0,0,0|2,0,0]=4 1923 B10R0.3 C=CCC(C)COCC(C)S 7cd7fc1d413dca47cc02b27b1e4de013 [0,2,0,0,0,0|2,0,0]=4 1924 B10R0.3 C=CCC(C)COC[C@@H](C)F 31926ca86f0c24ce9244c21f22684204 [0,2,0,0,0,0|2,0,0]=4 1925 B10R0.3 C=CCC(C)COC[C@H](C)F fe0c2285b07e3ae51bcfcff925314665 [0,2,0,0,0,0|2,0,0]=4 1926 B10R0.3 C=CCC(C)OCCC(C)C 9ee873f55303f966a43d8e4a05ee5fd9 [0,2,0,0,0,0|2,0,0]=4 1927 B10R0.3 C=CCC(O)CNCC(=C)C 135167cec961be7ff6392b59bc6df6e9 [0,2,0,0,0,0|1,0,1]=4 1928 B10R0.3 C=CCC(O)CNCC(C)C 231f43b36bfc1821d558f901a66cf38b [0,2,0,0,0,0|1,0,0]=3 1929 B10R0.3 C=CCC(O)CNCC(C)O dc5235f1bfe3c5969935e83ca29dc918 [0,2,0,0,0,0|1,0,0]=3 1930 B10R0.3 C=CCC(O)CNCC(F)F c71be40a8a67a7b40b71c18e5e054ebb [0,2,0,0,0,0|2,0,0]=4 1931 B10R0.3 C=CCC(O)CNCN(C)C 21b0c234dde3c0165d6477d61aa79108 [0,2,0,0,0,0|2,0,0]=4 1932 B10R0.3 C=CCC(O)CNC[C@@H](C)O 765f302be08d5923db84163127d18e89 [0,2,0,0,0,0|1,0,0]=3 1933 B10R0.3 C=CCC(O)CNC[C@H](C)O d7b49f4b6e2752e5d585a5a693f6e092 [0,2,0,0,0,0|1,0,0]=3 1934 B10R0.3 C=CCN(C)CCCC(C)C 51708d1e485d557153ed37eebb83184a [0,2,0,0,0,0|2,0,0]=4 1935 B10R0.3 C=CCN(C)CCCC(C)O 5f1381520c0b1d66b2eeccf1d441b4d0 [0,2,0,0,0,0|2,0,0]=4 1936 B10R0.3 C=CC[C@@H](C)OCCC(C)C fba4a1ecc614a042e02925a2555877dc [0,2,0,0,0,0|2,0,0]=4 1937 B10R0.3 C=CC[C@H](C)OCCC(C)C 3dc39999ad8390dd9182c6fbbe00937f [0,2,0,0,0,0|2,0,0]=4 1938 B10R0.3 CC(C)CCCC(C)NC=O 3c6ae667d6b41269893ae0d61baa53fc [0,2,0,0,0,0|2,0,0]=4 1939 B10R0.3 CC=CC(C)OCCC(C)C dd029d0cb87e2d6cbe35f09a0b4eadc9 [0,2,0,0,0,0|2,0,0]=4 1940 B10R0.44 C=CC(C)NC(C)CC(C)C 3498af0cea6bedf50149e1ae271989cd [0,2,0,0,0,0|2,0,0]=4 1941 B10R0.44 C=CC(C)NC(C)CC(C)O c28b57399a4e2234ef68a2440dcc9adb [0,2,0,0,0,0|2,0,0]=4 1942 B10R0.44 C=CC(C)OC(C)CC(C)C 96ea6ca16380aa6bfc7a6a1474aa34a7 [0,2,0,0,0,0|2,0,0]=4 1943 B10R0.44 C=CC(C)O[C@@H](C)CC(C)C ac235d20f392f96c8c4ec5d70354dad2 [0,2,0,0,0,0|2,0,0]=4 1944 B10R0.44 C=CC(C)O[C@H](C)CC(C)C 61b856910bf4b3b4b38be8954dfeea04 [0,2,0,0,0,0|2,0,0]=4 1945 B10R0.44 C=C[C@H](C)OC(C)CC(C)C 47cf0096ca68cd254449e4fcc1b9758f [0,2,0,0,0,0|2,0,0]=4 1946 B10R0.57 C=CC(C)N(C)CCC(C)C 73c05c879fc54ce2eb9ae216948fb901 [0,2,0,0,0,0|2,0,0]=4 1947 B10R0.57 C=CC(C)N(C)CCC(C)O dd2cb8e84e5511b4b258bd9d7c0194ab [0,2,0,0,0,0|2,0,0]=4 1948 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)C c3eeedc86cd76585dd7ead76b3c5db46 [0,2,0,0,0,0|2,0,0]=4 1949 B10R0.57 C=C[C@@H](C)[C@H](C)OCC(C)C 9cc4308acd7ac1ba0734dc42c7694f67 [0,2,0,0,0,0|2,0,0]=4 1950 B10R0.57 C=C[C@H](C)[C@@H](C)OCC(C)C c195c9bade400e865c3029cd22446601 [0,2,0,0,0,0|2,0,0]=4 1951 B10R0.57 C=C[C@H](C)[C@H](C)OCC(C)C 60e9af43e22eb758db35513d6920b10f [0,2,0,0,0,0|2,0,0]=4 1952 B10R0.59 C=CC(=O)CCCN(C)CC 9fef5ccf284be4c02e114e577ec61593 [0,2,0,0,0,0|0,0,2]=4 1953 B10R0.59 C=CC(=O)NCCC(C)CC feae3c6e40f48e0e674450e2a5b8f854 [0,2,0,0,0,0|0,0,2]=4 1954 B10R0.59 C=CC(C)COCC(=C)CC e6885d6d66b3099839edbd08177321ad [0,2,0,0,0,0|1,0,1]=4 1955 B10R0.59 C=CC(C)COCC(=O)CC 478b9cf166ae7fadc49ca30ff5990c17 [0,2,0,0,0,0|1,0,1]=4 1956 B10R0.59 C=CC(C)COCC(C)C#N 2de5d4b3fa3bcb44852b8a012d82b1e2 [0,2,0,0,0,0|2,0,0]=4 1957 B10R0.59 C=CC(C)COCC(C)CC 31620ecccea0ff49ba89a8cc8cc3cc75 [0,2,0,0,0,0|1,0,0]=3 1958 B10R0.59 C=CC(C)COCC(C)OC 4179e8c800b5d132d782150edf002d53 [0,2,0,0,0,0|2,0,0]=4 1959 B10R0.59 C=CC(C)COCC(O)CO cf0d6ced4b15934ff49b6af1834178d6 [0,2,0,0,0,0|2,0,0]=4 1960 B10R0.59 C=CC(C)COC[C@@H](C)CC 78e326aa2b2a4a758e614c46f29d2183 [0,2,0,0,0,0|1,0,0]=3 1961 B10R0.59 C=CC(C)COC[C@@H](C)OC b8a1868ba924d78468d96ad60e6dea88 [0,2,0,0,0,0|2,0,0]=4 1962 B10R0.59 C=CC(C)COC[C@@H](O)CO 8414a1a166258203dbf6bbc80106594d [0,2,0,0,0,0|2,0,0]=4 1963 B10R0.59 C=CC(C)COC[C@H](C)CC 699d0a5458907543aa0b8561b995c560 [0,2,0,0,0,0|1,0,0]=3 1964 B10R0.59 C=CC(C)COC[C@H](C)OC 45423b0d8b86dcce2ddc9539c14904b1 [0,2,0,0,0,0|2,0,0]=4 1965 B10R0.59 C=CC(C)COC[C@H](O)CO e8ed44bbeb0240b19a069089b8410579 [0,2,0,0,0,0|2,0,0]=4 1966 B10R0.59 C=CC(C)NCCC(C)CC 3734665fe2c588204e49772ea6889f35 [0,2,0,0,0,0|1,0,0]=3 1967 B10R0.59 C=CC(C)NCCC(C)CO 4559badec185707d6783b88554aeefe7 [0,2,0,0,0,0|2,0,0]=4 1968 B10R0.59 C=CC(C)NCCC(O)CO bf6c5c0a05953f75756d45eb13f208b2 [0,2,0,0,0,0|2,0,0]=4 1969 B10R0.59 C=CC(C)NCCS(=O)CC 717aa5db7625ad23376c2c11d4213732 [0,2,0,0,0,0|2,0,0]=4 1970 B10R0.59 C=CC(C)NCC[C@@H](C)CO af18abb9e9fadc5b88067fe15c8c66be [0,2,0,0,0,0|2,0,0]=4 1971 B10R0.59 C=CC(C)OCCC(C)CC cc7d4a8b010e19b1f21908737403eb7c [0,2,0,0,0,0|1,0,0]=3 1972 B10R0.59 C=CC(C)OCCC(C)OC 694b8bca76e0d108031028641433ad6c [0,2,0,0,0,0|2,0,0]=4 1973 B10R0.59 C=CC(C)OCCC(S)CC 3de1c4643e0cc97f9f067c68d09aa228 [0,2,0,0,0,0|1,0,0]=3 1974 B10R0.59 C=CC(C)OCCS(=O)CC a98fae55d757fe3d50ab779cc7cc27ce [0,2,0,0,0,0|2,0,0]=4 1975 B10R0.59 C=CC(C)OCC[C@@H](C)CC 99984fa177bea9c9050efcd2e203a640 [0,2,0,0,0,0|1,0,0]=3 1976 B10R0.59 C=CC(O)CNCC(=C)CC 702d043be4b6b25d02995e945f1627db [0,2,0,0,0,0|0,0,1]=3 1977 B10R0.59 C=CC(O)CNCC(=C)CO 8482dc2ced4231978f71efc781b74b99 [0,2,0,0,0,0|1,0,1]=4 1978 B10R0.59 C=CC(O)CNCC(=C)OC d191a62f8b014e3f844b6eaae5bce97d [0,2,0,0,0,0|1,0,1]=4 1979 B10R0.59 C=CC(O)CNCC(=O)CC 8f26c097924266ec839037be45c55114 [0,2,0,0,0,0|0,0,1]=3 1980 B10R0.59 C=CC(O)CNCC(=O)CO 028a8ee1f082fe92d8336c5708cc2735 [0,2,0,0,0,0|1,0,1]=4 1981 B10R0.59 C=CC(O)CNCC(=O)NC dacf0ea794f7846da102dd4ed09698c0 [0,2,0,0,0,0|1,0,1]=4 1982 B10R0.59 C=CC(O)CNCC(=O)OC 18392b756f35f553a4878e7a3e5e4550 [0,2,0,0,0,0|1,0,1]=4 1983 B10R0.59 C=CC(O)CNCC(C)C#N 1302c4c37d5bc0f68316db34c53a0cba [0,2,0,0,0,0|1,0,0]=3 1984 B10R0.59 C=CC(O)CNCC(C)CC 9cadeb67fef1874af95041d02f97d15d [0,2,0,0,0,0|0,0,0]=2 1985 B10R0.59 C=CC(O)CNCC(C)CO feddb0feac65514780acc83e5bba426b [0,2,0,0,0,0|1,0,0]=3 1986 B10R0.59 C=CC(O)CNCC(C)OC 987a12b7bd7d30eb5cb040dae6926a94 [0,2,0,0,0,0|1,0,0]=3 1987 B10R0.59 C=CC(O)CNCC(O)CC c4c3ed7dbb09d97a124387ee512bd6ed [0,2,0,0,0,0|0,0,0]=2 1988 B10R0.59 C=CC(O)CNCC(O)CF f60758bfcad980b15adbf36020b91c14 [0,2,0,0,0,0|1,0,0]=3 1989 B10R0.59 C=CC(O)CNCC(O)CO 67c202beeeef06ef0606469db9ae2a1f [0,2,0,0,0,0|1,0,0]=3 1990 B10R0.59 C=CC(O)CNC[C@@H](C)CC fead75bd63ed071d1a3ee86d50881c64 [0,2,0,0,0,0|0,0,0]=2 1991 B10R0.59 C=CC(O)CNC[C@@H](C)CO 44ad77b10e498d56dc32b9446f6ab7e9 [0,2,0,0,0,0|1,0,0]=3 1992 B10R0.59 C=CC(O)CNC[C@@H](C)OC 64b15955f0dd198be9ce5956918ed0c8 [0,2,0,0,0,0|1,0,0]=3 1993 B10R0.59 C=CC(O)CNC[C@@H](O)CO 556d09a958c72609847dbcc2a64a3187 [0,2,0,0,0,0|1,0,0]=3 1994 B10R0.59 C=CC(O)CNC[C@H](C)CC 845e13290097cc39b795523a92ff3894 [0,2,0,0,0,0|0,0,0]=2 1995 B10R0.59 C=CC(O)CNC[C@H](C)CO 271f0e018c80386d950be25eb1c03ab7 [0,2,0,0,0,0|1,0,0]=3 1996 B10R0.59 C=CC(O)CNC[C@H](C)OC 24e2536ec1e8cffcba0c1b69ad17d741 [0,2,0,0,0,0|1,0,0]=3 1997 B10R0.59 C=CC(O)CNC[C@H](O)CO 0353d4bda7c38cc9e198be3564726b9d [0,2,0,0,0,0|1,0,0]=3 1998 B10R0.59 C=C[C@H](C)OCCC(C)CC e591e73626315cbc0db70782285cf1fa [0,2,0,0,0,0|1,0,0]=3 1999 B10R0.59 C=C[C@H](C)OCCS(=O)CC af7df124c1b51fb6a0b1a0830b4a62f0 [0,2,0,0,0,0|2,0,0]=4 2000 B10R0.59 CCC(C)CCNC(C)C=O 7a79aa4bad49b09c26175b57c86c245b [0,2,0,0,0,0|2,0,0]=4 2001 B10R0.59 CCC(C)CCN[C@H](C)C=O 04054ca2fa3c2240a295a3d82059904c [0,2,0,0,0,0|2,0,0]=4 2002 B10R0.59 CCC(C)CCOC(C)C=O 8c3d4b081482f8c3847f28e72e510e78 [0,2,0,0,0,0|2,0,0]=4 2003 B10R0.59 CCC(C)CCO[C@H](C)C=O 49a42b50f2824c253dead3a7c2c37050 [0,2,0,0,0,0|2,0,0]=4 2004 B10R0.59 CCC(C)CNCC(O)CC c864eb906906fe1233bd79c1f1eaca31 [0,2,0,0,0,0|0,0,2]=4 2005 B10R0.59 CCC(C)CNCC(O)CF 78c0e8ae1271392ddb0c3bbe214f7b35 [0,2,0,0,0,0|1,0,1]=4 2006 B10R0.59 CCC(C)CNCC(O)CO b23dde7ff7d594ae7232546dece63d64 [0,2,0,0,0,0|1,0,1]=4 2007 B10R0.59 CCC(C)CNC[C@@H](O)CO af595f34c48bf439b2769c478f068947 [0,2,0,0,0,0|1,0,1]=4 2008 B10R0.59 CCC(C)CNC[C@H](O)CC cd42e40201546c850b99a3dc92ceae2a [0,2,0,0,0,0|0,0,2]=4 2009 B10R0.59 CCC(C)CNC[C@H](O)CO 586ca749cb5e1e3bc0a89b19af6980ac [0,2,0,0,0,0|1,0,1]=4 2010 B10R0.59 CCC(C)COCC(O)CO 449c08c1f545ad3452ee4188f9abc968 [0,2,0,0,0,0|1,0,1]=4 2011 B10R0.59 CCC(C)COC[C@@H](O)CO 0d077f375d3affc36de1b264f28d798f [0,2,0,0,0,0|1,0,1]=4 2012 B10R0.59 CCC(C)COC[C@H](O)CO 211885765df8a94df12fd0f32bd0a95d [0,2,0,0,0,0|1,0,1]=4 2013 B10R0.59 CCC(C)NCCC(O)CO 635b093f5b0a8c260e8afa81151eb634 [0,2,0,0,0,0|1,0,1]=4 2014 B10R0.59 CCC(O)CNCC(O)CC 204ce2037a27f5996a9395d9054b59fd [0,2,0,0,0,0|0,0,2]=4 2015 B10R0.59 CCC(O)CNCC(O)CF d3cea31ff0e5f998c66b9dd200f785a7 [0,2,0,0,0,0|1,0,1]=4 2016 B10R0.59 CCC(O)CNCC(O)CO 5a57ee26cd3d2df17733d17382c3e4a2 [0,2,0,0,0,0|1,0,1]=4 2017 B10R0.59 CCC(O)CNC[C@@H](C)CC bd3e90ae68039c804f9bb1644fa37e14 [0,2,0,0,0,0|0,0,2]=4 2018 B10R0.59 CCC(O)CNC[C@@H](O)CO 64cbb5059b49cc96060441139fb1458a [0,2,0,0,0,0|1,0,1]=4 2019 B10R0.59 CCC(O)CNC[C@H](C)CC 01825355d0f60c2325405dcbf5632d4a [0,2,0,0,0,0|0,0,2]=4 2020 B10R0.59 CCC(O)CNC[C@H](O)CC 1e60bb0cc40748f512b515b171a1acd2 [0,2,0,0,0,0|0,0,2]=4 2021 B10R0.59 CCC(O)CNC[C@H](O)CO a512105595b36e8d6c7b2d98531f6d09 [0,2,0,0,0,0|1,0,1]=4 2022 B10R0.59 CCC(S)CCOC(C)C=O a3a100b99da36be98c9d307c5ecc5af3 [0,2,0,0,0,0|2,0,0]=4 2023 B10R0.59 CCC(S)CCO[C@H](C)C=O b417e5030e8b1c90e193adbba08d716f [0,2,0,0,0,0|2,0,0]=4 2024 B10R0.59 CC[C@@H](C)CNCC(O)CO 4974d516eca21fbcbae9e9291171c25d [0,2,0,0,0,0|1,0,1]=4 2025 B10R0.59 CC[C@@H](C)CNC[C@@H](O)CO 0cb0e8ec0dfd9ac4d678675631a74d15 [0,2,0,0,0,0|1,0,1]=4 2026 B10R0.59 CC[C@@H](C)CNC[C@H](O)CC 4a06b27a37ee126af45c43223de7e019 [0,2,0,0,0,0|0,0,2]=4 2027 B10R0.59 CC[C@@H](C)CNC[C@H](O)CO e10d043e05495ac795ccbe26a4f0a986 [0,2,0,0,0,0|1,0,1]=4 2028 B10R0.59 CC[C@@H](C)COCC(O)CO 55188b3d6d19e8da8a80d16440a8c236 [0,2,0,0,0,0|1,0,1]=4 2029 B10R0.59 CC[C@@H](C)COC[C@@H](O)CO f005f26f02816d85d782734ad6e12bec [0,2,0,0,0,0|1,0,1]=4 2030 B10R0.59 CC[C@@H](C)COC[C@H](O)CO 75c3d2245ca1615902c8034e0c526ae6 [0,2,0,0,0,0|1,0,1]=4 2031 B10R0.59 CC[C@@H](O)CNCC(O)CF 7ccdc836b1d2e5b8190689fb6ee7a7a2 [0,2,0,0,0,0|1,0,1]=4 2032 B10R0.59 CC[C@@H](O)CNCC(O)CO ebaa87454667480458b99414d9e13c5c [0,2,0,0,0,0|1,0,1]=4 2033 B10R0.59 CC[C@@H](O)CNC[C@@H](O)CO 90faa67d927a7eeb6f91d7eff0144119 [0,2,0,0,0,0|1,0,1]=4 2034 B10R0.59 CC[C@@H](O)CNC[C@H](O)CO 34d755780281f3be3c733f415eb8bf08 [0,2,0,0,0,0|1,0,1]=4 2035 B10R0.59 CC[C@H](C)CCOC(C)C=O feaa022b4865e455224553d1fc70da6b [0,2,0,0,0,0|2,0,0]=4 2036 B10R0.59 CC[C@H](C)CCO[C@H](C)C=O 6188c0342eb549f11c173a29033a1383 [0,2,0,0,0,0|2,0,0]=4 2037 B10R0.59 CC[C@H](C)CNCC(O)CF 286d671e39621398515238f34fd8f9eb [0,2,0,0,0,0|1,0,1]=4 2038 B10R0.59 CC[C@H](C)CNCC(O)CO 950d0d0453d1148ec28561568f7c3576 [0,2,0,0,0,0|1,0,1]=4 2039 B10R0.59 CC[C@H](C)CNC[C@@H](O)CO 744d21f55d3da29bdae12d7ed8b35573 [0,2,0,0,0,0|1,0,1]=4 2040 B10R0.59 CC[C@H](C)CNC[C@H](O)CC 4a40bd05a9e88fda65ee01c8e8630ceb [0,2,0,0,0,0|0,0,2]=4 2041 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 83d3f3fad27a25a2493e361d0892fab7 [0,2,0,0,0,0|1,0,1]=4 2042 B10R0.59 CC[C@H](C)COCC(O)CO 70e2427cff0acfb870b06fb2a2f8a432 [0,2,0,0,0,0|1,0,1]=4 2043 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 52177ba664ed6fc911ef41f2028862b3 [0,2,0,0,0,0|1,0,1]=4 2044 B10R0.59 CC[C@H](C)COC[C@H](O)CO 8fced7198e22e73089ce436ffe2df5be [0,2,0,0,0,0|1,0,1]=4 2045 B10R0.60 C=CC(C)COCC(C)(C)C 676df6079ca36a693b02ed982c9c6539 [0,2,0,0,0,0|2,0,0]=4 2046 B10R0.60 C=CC(C)COCC(C)(C)F e0763c2f274b0bc97c2c9a3d7e06426b [0,2,0,0,0,0|2,0,0]=4 2047 B10R0.60 C=CC(C)COCC(C)(C)O afe8be86fac5bbae4813577590e3f1fe [0,2,0,0,0,0|2,0,0]=4 2048 B10R0.60 C=CC(C)COCC(C)(F)F f4476fff91c63c0651111dc5f7120494 [0,2,0,0,0,0|2,0,0]=4 2049 B10R0.60 C=CC(C)NCCC(C)(C)C a8f0cba0ddd201c8d1a1b05f4c44fcf5 [0,2,0,0,0,0|2,0,0]=4 2050 B10R0.60 C=CC(C)NCCC(C)(C)F 8249b56b519da7da386579178976214c [0,2,0,0,0,0|2,0,0]=4 2051 B10R0.60 C=CC(C)NCCC(C)(C)O 3605c9f34cf6ed3f839f6a2dd7d2605e [0,2,0,0,0,0|2,0,0]=4 2052 B10R0.60 C=CC(C)NCCC(C)(F)F e0bee839314233019f741f796a400cb8 [0,2,0,0,0,0|2,0,0]=4 2053 B10R0.60 C=CC(C)OCCC(C)(C)C 5ea729a592d062491d26db7ee83456e8 [0,2,0,0,0,0|2,0,0]=4 2054 B10R0.60 C=CC(C)OCCC(C)(C)O b378af447d31d509a3b2194c6c0a4533 [0,2,0,0,0,0|2,0,0]=4 2055 B10R0.60 C=CC(C)OCCC(C)(C)S aebc75dbc6394a8cbbeb139ed4039a48 [0,2,0,0,0,0|2,0,0]=4 2056 B10R0.60 C=CC(C)OCCC(C)(F)F 3abaab551ef5f04d15d61641aefd10fc [0,2,0,0,0,0|2,0,0]=4 2057 B10R0.60 C=CC(O)CNCC(C)(C)C fe4dd325f59cb87e5735819f320b873d [0,2,0,0,0,0|1,0,0]=3 2058 B10R0.60 C=CC(O)CNCC(C)(C)F f825f07fb6566ef14d25ab0a271eb2ac [0,2,0,0,0,0|1,0,0]=3 2059 B10R0.60 C=CC(O)CNCC(C)(C)O 11d1cdd505556162bc8747d4290fa9b1 [0,2,0,0,0,0|1,0,0]=3 2060 B10R0.60 C=CC(O)CNCC(C)(F)F 3712a39ad91b8a8137a518b0350fbd5d [0,2,0,0,0,0|1,0,0]=3 2061 B10R0.60 C=CC(O)CNCC(F)(F)F 10e395134917527d4b7bf00d00d147c0 [0,2,0,0,0,0|2,0,0]=4 2062 B10R0.60 C=CC(O)CNCS(=O)(=O)C e0447bf680e29c9c141ee6fe28c6b52b [0,2,0,0,0,0|2,0,0]=4 2063 B10R0.60 C=C[C@H](C)OCCC(C)(C)C cdf66e132e28f92a3550ae9cd82d205a [0,2,0,0,0,0|2,0,0]=4 2064 B10R0.60 C=C[C@H](C)OCCC(C)(C)O a1a37da4a835a401aff44c6dd4d8b7b4 [0,2,0,0,0,0|2,0,0]=4 2065 B10R0.60 C=C[C@H](C)OCCC(C)(F)F 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C=CC(O)CNC(=O)C(C)F eb18adec50de194035dcd76e09416097 [0,2,0,0,0,0|1,0,1]=4 2088 B10R0.82 C=CC(O)CNC(=O)C(C)O 2033624beabe1c91d900f65560e39ab2 [0,2,0,0,0,0|1,0,1]=4 2089 B10R0.82 C=CC(O)CNC(=O)C(C)S c2d917b676a9e9cb6c91b1e69ce7d793 [0,2,0,0,0,0|1,0,1]=4 2090 B10R0.82 C=CC(O)CNC(=O)[C@@H](C)F ca5b96c4674b721efdf61dbf4db568a2 [0,2,0,0,0,0|1,0,1]=4 2091 B10R0.82 C=CC(O)CNC(=O)[C@@H](C)O 43558f462ad4060646b8aa0e35bb7e7c [0,2,0,0,0,0|1,0,1]=4 2092 B10R0.82 C=CC(O)CNC(=O)[C@H](C)F a85a555049dc060bc084aa7f57aba32d [0,2,0,0,0,0|1,0,1]=4 2093 B10R0.82 C=CC(O)CNC(=O)[C@H](C)O 4c48ecccbdc15b827f2315dfdec058cd [0,2,0,0,0,0|1,0,1]=4 2094 B10R0.82 C=CC(O)CNC(C)C(=O)C 5ae14757d5a6d209548af6d4b78f4a00 [0,2,0,0,0,0|1,0,1]=4 2095 B10R0.82 C=CC(O)CNC(C)C(C)C 7a87f2233fefcf50785b147f42d06e4d [0,2,0,0,0,0|1,0,0]=3 2096 B10R0.82 C=C[C@H](C)OCC(C)C(C)C e16ed22c4c1af70d4187e7f21ad615e8 [0,2,0,0,0,0|2,0,0]=4 2097 B10R0.82 CCC(C)CNC(O)C(=O)O 8d088909e12f440ef3ba7f8984680b08 [0,2,0,0,0,0|2,0,0]=4 2098 B10R0.82 CCC(C)NCC(O)C(=O)O 293e6d8f66a18fef6a815196424bc9de [0,2,0,0,0,0|2,0,0]=4 2099 B10R0.82 CCC(C)NC[C@@H](O)C(=O)O d275a36d8f661427c2f773c6d7e8b01e [0,2,0,0,0,0|2,0,0]=4 2100 B10R0.82 CCC(C)NC[C@H](O)C(=O)O 51f83390d9b74f2cc35f6149417ef947 [0,2,0,0,0,0|2,0,0]=4 2101 B10R0.82 CCC(O)CNC(O)C(=O)O 8f1fa7eb99b19b7ec2d0f34265fbf217 [0,2,0,0,0,0|2,0,0]=4 2102 B10R0.82 CC[C@@H](C)CNC(O)C(=O)O 1fa01bc8a6527e921b693a127579aa93 [0,2,0,0,0,0|2,0,0]=4 2103 B10R0.82 CC[C@H](C)CNC(O)C(=O)O e881655dade6b5c0776cc38b908364f1 [0,2,0,0,0,0|2,0,0]=4 2104 B10R0.98 C=C(I)[C@H](C)CNCC(C)C 5a186807f6a0543f570b34ec9711cece [0,2,0,0,0,0|2,0,0]=4 2105 B10R0.98 C=C(I)[C@H](C)CNCC(C)O 7b6ba6293ab1b25cb46726e56b83fefb [0,2,0,0,0,0|2,0,0]=4 2106 B10R0.98 C=C(I)[C@H](C)CNC[C@@H](C)O aa5a8f45c4673586ee2453dbf298a49a [0,2,0,0,0,0|2,0,0]=4 2107 B10R0.98 C=C(I)[C@H](C)CNC[C@H](C)O 386bea5f8b7acbfe67f943299ff4f63a [0,2,0,0,0,0|2,0,0]=4 2108 B10R0.98 C=C(I)[C@H](C)COCC(C)C 812787258e64a3b6e10865829d0b1a83 [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|2,0,0]=4 2120 B10R0.98 CC(O)CNCC(O)C(=O)O 6ebf935f011517db5e449ff45bfbf5cb [0,2,0,0,0,0|2,0,0]=4 2121 B10R0.98 CC(O)CNC[C@@H](O)C(=O)O 8ea4ffbf11b3d19125aeccde6aa89209 [0,2,0,0,0,0|2,0,0]=4 2122 B10R0.98 CC(O)CNC[C@H](O)C(=O)O 5d36e921426db3e3411c7b046bd1ef69 [0,2,0,0,0,0|2,0,0]=4 2123 B10R0.98 C[C@@H](O)CNCC(O)C(=O)O 43b8fcd0cff8f01d7b2f32d27dedb579 [0,2,0,0,0,0|2,0,0]=4 2124 B10R0.98 C[C@@H](O)CNC[C@@H](O)C(=O)O 2e35011a864928fb460c5b6783278ffb [0,2,0,0,0,0|2,0,0]=4 2125 B10R0.98 C[C@@H](O)CNC[C@H](O)C(=O)O a05a4fc6fe2491d50a1db2305c464a4c [0,2,0,0,0,0|2,0,0]=4 2126 B10R0.98 C[C@H](O)CNCC(O)C(=O)O 7a047cd5ec4baf7f6de900713314629e [0,2,0,0,0,0|2,0,0]=4 2127 B10R0.98 C[C@H](O)CNC[C@@H](O)C(=O)O e2a447f9ac284af5c6f9a681fd672cd3 [0,2,0,0,0,0|2,0,0]=4 2128 B10R0.98 C[C@H](O)CNC[C@H](O)C(=O)O 923ea34d52ca0b2760f40232a2becbe7 [0,2,0,0,0,0|2,0,0]=4 2129 B10R0.1 C#CCCNCC(O)CC=C a5072847c40864fa13729e080b74e987 [0,2,0,0,0,0|0,0,2]=4 2130 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [0,2,0,0,0,0|0,0,2]=4 2131 B10R0.1 C/C=C/C(C)OCCCCC 32eea464d13baf497956841c74817910 [0,2,0,0,0,0|1,0,0]=3 2132 B10R0.1 C/C=C/C(C)OCCCCF 5d7e850413b0247569bc79ca5a6f41b1 [0,2,0,0,0,0|2,0,0]=4 2133 B10R0.1 C/C=C/C(C)OCCCOC ea013ee8b3e9d812b010f4ecc839a115 [0,2,0,0,0,0|2,0,0]=4 2134 B10R0.1 C/C=C/C(C)OCCCSC be40740f80aad30c98b735238c83d33b [0,2,0,0,0,0|2,0,0]=4 2135 B10R0.1 C/C=C/C(C)OCCOCC 5817844abb85ca9d19aeccbccc6a5e85 [0,2,0,0,0,0|2,0,0]=4 2136 B10R0.1 C/C=C/C(C)OCCSCC 1e43b0036a7f7ad319d8fb53a0085044 [0,2,0,0,0,0|2,0,0]=4 2137 B10R0.1 C=CCC(=O)NCCCCC 60936a96866426d775857d450c7aa644 [0,2,0,0,0,0|0,0,2]=4 2138 B10R0.1 C=CCC(C)CNCCCC a237fd4f78b74a30412747f6b3fc0552 [0,2,0,0,0,0|1,0,0]=3 2139 B10R0.1 C=CCC(C)CNCCCCl 9dba76431052ff8a11ab43b253e1db71 [0,2,0,0,0,0|2,0,0]=4 2140 B10R0.1 C=CCC(C)CNCCCO 03e144fa3d186f7f48f4d5dcf15df266 [0,2,0,0,0,0|2,0,0]=4 2141 B10R0.1 C=CCC(C)CNCCOC 7997043da80ac6201aac41c6c9734400 [0,2,0,0,0,0|2,0,0]=4 2142 B10R0.1 C=CCC(C)CNCCSC b56bd02ad9f4d64e5c3a544ce265bbcf [0,2,0,0,0,0|2,0,0]=4 2143 B10R0.1 C=CCC(C)COCCCC c02a99f7c8b35d96a371d56a86563ee7 [0,2,0,0,0,0|1,0,0]=3 2144 B10R0.1 C=CCC(C)COCCCF 9e1024ce6a66dfc21d3d82285553b838 [0,2,0,0,0,0|2,0,0]=4 2145 B10R0.1 C=CCC(C)COCCCS 9081737483624fed09cb9aac3cce2650 [0,2,0,0,0,0|2,0,0]=4 2146 B10R0.1 C=CCC(C)COCCOC 3aa47a39fe5668e28fbe437cd279241c [0,2,0,0,0,0|2,0,0]=4 2147 B10R0.1 C=CCC(C)COCCSC 0a7697489958b07bfc73dcfd2603f613 [0,2,0,0,0,0|2,0,0]=4 2148 B10R0.1 C=CCC(C)COCOCC 66e86ba16bfba02903d82816598ab359 [0,2,0,0,0,0|2,0,0]=4 2149 B10R0.1 C=CCC(C)OCCCCC b7f426405e4f74e50b5fed1d73a8b9fb [0,2,0,0,0,0|1,0,0]=3 2150 B10R0.1 C=CCC(C)OCCCCF 6230d27ebee6be8a4c00be0808946f93 [0,2,0,0,0,0|2,0,0]=4 2151 B10R0.1 C=CCC(C)OCCCOC 15c86d145c4fef0b97817f7575b55de1 [0,2,0,0,0,0|2,0,0]=4 2152 B10R0.1 C=CCC(C)OCCCSC 1bcde5f31948d56f0299616d02b3d29b [0,2,0,0,0,0|2,0,0]=4 2153 B10R0.1 C=CCC(C)OCCOCC 81c2d0692d786d7d8e7a3720ea221e05 [0,2,0,0,0,0|2,0,0]=4 2154 B10R0.1 C=CCC(C)OCCSCC ca0bf1ed534bdfb7d4aacc00637d9088 [0,2,0,0,0,0|2,0,0]=4 2155 B10R0.1 C=CCC(O)CNC/C=C/C fe4fa1f9ffeb4178db829fc3833e0c92 [0,2,0,0,0,0|0,0,2]=4 2156 B10R0.1 C=CCC(O)CNC/C=C\C 66f05c768d8c2dbf1e6324cb262b2104 [0,2,0,0,0,0|0,0,2]=4 2157 B10R0.1 C=CCC(O)CNCCC#N 67759e4bd01d3bd31f23ca18bee61d39 [0,2,0,0,0,0|1,0,1]=4 2158 B10R0.1 C=CCC(O)CNCCC=O 575a8b0f77a59b1697a3fcc000ff7f9d [0,2,0,0,0,0|1,0,1]=4 2159 B10R0.1 C=CCC(O)CNCCCC 52128b166ffa9b79934922b5c167fdd6 [0,2,0,0,0,0|0,0,0]=2 2160 B10R0.1 C=CCC(O)CNCCCF 5f8d3f1da4bfe29ca9d57d0297cf6639 [0,2,0,0,0,0|1,0,0]=3 2161 B10R0.1 C=CCC(O)CNCCCO b0b6ad322eb63c0da788cddbe5aae914 [0,2,0,0,0,0|1,0,0]=3 2162 B10R0.1 C=CCC(O)CNCCCS b45606bed5ef5f490198ad3b9c6530fa [0,2,0,0,0,0|1,0,0]=3 2163 B10R0.1 C=CCC(O)CNCCOC 1531d47d1f5fc86ef915b8c9b64a206d [0,2,0,0,0,0|1,0,0]=3 2164 B10R0.1 C=CCC(O)CNCCSC 2933d633f24632c4449cadb24ff4e8fe [0,2,0,0,0,0|1,0,0]=3 2165 B10R0.1 C=CCC(O)CNCOCC 397b731fa594d194ce1d27556cc0b538 [0,2,0,0,0,0|1,0,0]=3 2166 B10R0.1 C=CCCNCC(O)CC=C 790fdec5e15e170c108c13d0f10b27cb [0,2,0,0,0,0|0,0,2]=4 2167 B10R0.1 C=CCN(C)CCCCCC e595c6170229d3af00a8abfbd203fd4a [0,2,0,0,0,0|2,0,0]=4 2168 B10R0.1 C=CCN(C)CCCCCF cb426aca1cc23b00e568bb9a08f52288 [0,2,0,0,0,0|2,0,0]=4 2169 B10R0.1 C=CCN(C)CCCCCO 189380a6653aaa46adcfdb526a6e43ee [0,2,0,0,0,0|2,0,0]=4 2170 B10R0.1 C=CCN(C)CCCCOC f0fae002a6893d13075298a4034fdcd0 [0,2,0,0,0,0|2,0,0]=4 2171 B10R0.1 C=CCN(C)CCCOCC 2353fcbda23d116e392519f8e5927f39 [0,2,0,0,0,0|2,0,0]=4 2172 B10R0.1 C=CCN(C)CCCSCC 389e09feea0ee64aaaae829654ab87aa [0,2,0,0,0,0|2,0,0]=4 2173 B10R0.1 C=CCN(C)CCOCCC b8611e2919e030df9b3e066a52a67514 [0,2,0,0,0,0|2,0,0]=4 2174 B10R0.1 C=CCN(C)COCCCC 7c09134aff0bc2bc76a827cdad9c4ff1 [0,2,0,0,0,0|2,0,0]=4 2175 B10R0.1 C=CC[C@@H](C)OCCCCC aa673c1bd040cb41d238530eaaff3c2a [0,2,0,0,0,0|1,0,0]=3 2176 B10R0.1 C=CC[C@@H](C)OCCCCF b94d050df4d3c096d4cf71863d2337c5 [0,2,0,0,0,0|2,0,0]=4 2177 B10R0.1 C=CC[C@@H](C)OCCCOC 09a8366cfd762df5beac3ebf154ffe69 [0,2,0,0,0,0|2,0,0]=4 2178 B10R0.1 C=CC[C@@H](C)OCCCSC 61885cb093f4de0b0bb55c18342e57c2 [0,2,0,0,0,0|2,0,0]=4 2179 B10R0.1 C=CC[C@@H](C)OCCOCC 03d03dbf7bb38da5d87d01040462fde2 [0,2,0,0,0,0|2,0,0]=4 2180 B10R0.1 C=CC[C@@H](C)OCCSCC e608f8a616852f28c4f2f4dc714de0e9 [0,2,0,0,0,0|2,0,0]=4 2181 B10R0.1 C=CC[C@H](C)OCCCCC f4d37e55b99eedc4429f4284005d77bf [0,2,0,0,0,0|1,0,0]=3 2182 B10R0.1 C=CC[C@H](C)OCCCCF cf05bb5e53e3c9aa2a55e575070b935f [0,2,0,0,0,0|2,0,0]=4 2183 B10R0.1 C=CC[C@H](C)OCCCOC 8b53f75007bb6e1cb79f30b58fc81487 [0,2,0,0,0,0|2,0,0]=4 2184 B10R0.1 C=CC[C@H](C)OCCCSC 70467a0309c859d720ffb978b4b0319f [0,2,0,0,0,0|2,0,0]=4 2185 B10R0.1 C=CC[C@H](C)OCCOCC 4514c20c5c131966e50d2aeb60fd4762 [0,2,0,0,0,0|2,0,0]=4 2186 B10R0.1 C=CC[C@H](C)OCCSCC dd675208152146367cef1556174367bd [0,2,0,0,0,0|2,0,0]=4 2187 B10R0.1 C=COC(=O)CNCCCC dae1382989b40ea758400263a4cea49d [0,2,0,0,0,0|0,0,2]=4 2188 B10R0.1 C=COC(=O)COCCCC b0f56a6903bffaeb0bb0ceeee20fb975 [0,2,0,0,0,0|0,0,2]=4 2189 B10R0.1 CC=CC(C)OCCCCC 259a2b9391696a02dba972e36c06304b [0,2,0,0,0,0|1,0,0]=3 2190 B10R0.1 CC=CC(C)OCCCCF c51d93556faf2dcbf2f7f170a0e443bc [0,2,0,0,0,0|2,0,0]=4 2191 B10R0.1 CC=CC(C)OCCCOC fdfa44b39a3be930af32ed2cd785a150 [0,2,0,0,0,0|2,0,0]=4 2192 B10R0.1 CC=CC(C)OCCCSC 8a149847c9279b628c729d054dee87a2 [0,2,0,0,0,0|2,0,0]=4 2193 B10R0.1 CC=CC(C)OCCOCC 5fa8686bfcf57f3f27afd767b89d8156 [0,2,0,0,0,0|2,0,0]=4 2194 B10R0.1 CC=CC(C)OCCSCC 4202cacfb4476e29eaa07194f770ad28 [0,2,0,0,0,0|2,0,0]=4 2195 B10R0.1 CCCCCCC(C)NC=O f63682f2eac1154ec031945a12d93daf [0,2,0,0,0,0|2,0,0]=4 2196 B10R0.1 CCCCCC[C@@H](C)NC=O 909a4f41573981c2710438729cbc1a42 [0,2,0,0,0,0|2,0,0]=4 2197 B10R0.1 CCCCCC[C@H](C)NC=O d2a59e79b94a9a0d6c0487556bbcd17e [0,2,0,0,0,0|2,0,0]=4 2198 B10R0.1 CCCCCNC(=O)/C=C/Br ecb0435aa4ab2463ea90f4a108508e49 [0,2,0,0,0,0|0,0,2]=4 2199 B10R0.1 CCCCCNC(=O)/C=C/Cl 955b6b7e3570e960a539fd062005b989 [0,2,0,0,0,0|0,0,2]=4 2200 B10R0.1 CCCCCNC(=O)/C=C/I 9d744226616ad522003fc9992037fda5 [0,2,0,0,0,0|0,0,2]=4 2201 B10R0.1 CCCCCNC(=O)/C=C\Br a8b87e6dae729d0470517d0b917e3af0 [0,2,0,0,0,0|0,0,2]=4 2202 B10R0.1 CCCCCNC(=O)/C=C\Cl a04be071be8a4f2debb635989d021997 [0,2,0,0,0,0|0,0,2]=4 2203 B10R0.1 CCCCCNC(=O)/C=C\I 3783fb49757e249c404b8c565e3696ea [0,2,0,0,0,0|0,0,2]=4 2204 B10R0.1 CCCCCNC(=O)C=CBr 73a98e1197e9d4f9a1e5c85edaa5cbe8 [0,2,0,0,0,0|0,0,2]=4 2205 B10R0.1 CCCCCNC(=O)C=CI eb1e29e3ea7986611f3db8e1e5282c20 [0,2,0,0,0,0|0,0,2]=4 2206 B10R0.1 CCCCNCC(O)CC#N b1370cd254ccbed726c9bf82aa7e7d5b [0,2,0,0,0,0|0,0,2]=4 2207 B10R0.1 CCCCNCC(O)CCC 6bd7c0c81aa28ae46438b3751e240977 [0,2,0,0,0,0|0,0,2]=4 2208 B10R0.1 CCCCNCC(O)COC 7b5f5610d7eca243d36cbaf05aadb482 [0,2,0,0,0,0|0,0,2]=4 2209 B10R0.1 CCCCNC[C@@H](O)CC#N 1fa63d068736a12307e3d95edf789ee0 [0,2,0,0,0,0|0,0,2]=4 2210 B10R0.1 CCCCNC[C@@H](O)CCO e972ff3716e8c6733ef85d91fc247bec [0,2,0,0,0,0|0,0,2]=4 2211 B10R0.1 CCCCNC[C@H](O)CC#N 05ec76edeb9ef4b60c6671fdd3e6eb17 [0,2,0,0,0,0|0,0,2]=4 2212 B10R0.1 CCCCNC[C@H](O)COC 27154edb12fa24bcbd6a29dd3fd612e3 [0,2,0,0,0,0|0,0,2]=4 2213 B10R0.1 CCCCOC[C@@H](O)CCO 0ef0b3ad32bae4db17d37aa25aea2729 [0,2,0,0,0,0|0,0,2]=4 2214 B10R0.2 C/C=C/C(C)OC(C)CCC 6b95a85fe2137c32473b9071ac815a27 [0,2,0,0,0,0|2,0,0]=4 2215 B10R0.2 C=CCC(C)CN(C)CCC 6a44d4b2ffa645d7e386d5d61c2731be [0,2,0,0,0,0|2,0,0]=4 2216 B10R0.2 C=CCC(C)OC(C)CCC f419397be0ff35d3ca2a942ca613bb17 [0,2,0,0,0,0|2,0,0]=4 2217 B10R0.2 C=CCN(C)CC(C)CCC 505c086684f10f475f952f79ff5a3eb0 [0,2,0,0,0,0|2,0,0]=4 2218 B10R0.2 C=CC[C@@H](C)OC(C)CCC 5e0d32979fdaebc9414c211ab4b755c4 [0,2,0,0,0,0|2,0,0]=4 2219 B10R0.2 C=CC[C@H](C)OC(C)CCC 08e9857de4d958637fef740ef0af0426 [0,2,0,0,0,0|2,0,0]=4 2220 B10R0.2 CC=CC(C)OC(C)CCC fabca4eb9e6046468e15f4db347ad6a0 [0,2,0,0,0,0|2,0,0]=4 2221 B10R0.6 C=C(Br)CN(C)CCCCC 33fdbc694dd2907d148c9eda5e321c9c [0,2,0,0,0,0|2,0,0]=4 2222 B10R0.6 C=C(C)CN(C)CCCCC d99def202978daf97a9f20ca4956f0cd [0,2,0,0,0,0|2,0,0]=4 2223 B10R0.6 C=C(Cl)CN(C)CCCCC 7282545bbc1956e62a820a5c74cd9f87 [0,2,0,0,0,0|2,0,0]=4 2224 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [0,2,0,0,0,0|1,0,1]=4 2225 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [0,2,0,0,0,0|1,0,1]=4 2226 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [0,2,0,0,0,0|1,0,1]=4 2227 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [0,2,0,0,0,0|1,0,1]=4 2228 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [0,2,0,0,0,0|1,0,1]=4 2229 B10R0.19 C=CCN(C)C(C)CCCC 2ffefa3bb577ad44a7ebd5d29a9b562c [0,2,0,0,0,0|2,0,0]=4 2230 B10R0.24 C#CC(CCCCC)OCC 90058fe546fc9404f4e240cfaf3f05cf [0,2,0,0,0,0|0,0,2]=4 2231 B10R0.24 C#CC(CCCCC)OCF 337f1b12d1df98211d27ed4c2bd5c52f [0,2,0,0,0,0|0,0,2]=4 2232 B10R0.24 C#C[C@H](CCCCC)OCC cd21c033028f0cdb6396d49acdb07a59 [0,2,0,0,0,0|0,0,2]=4 2233 B10R0.24 C#C[C@H](CCCCC)OCF 4366e3fbc12606da78cdee5c2fefc9b4 [0,2,0,0,0,0|0,0,2]=4 2234 B10R0.24 C=CC(CC#N)OCCCC 0d3bbe23891f49ecde5575e6c96fe445 [0,2,0,0,0,0|2,0,0]=4 2235 B10R0.24 C=CC(CCC)OCCCC 69ea78e3fe0936af58dac88120ef5c7b [0,2,0,0,0,0|2,0,0]=4 2236 B10R0.24 C=CC(CCCCC)OCC 6d5704efc3b1195bb916339612770471 [0,2,0,0,0,0|0,0,0]=2 2237 B10R0.24 C=CC(CCCCC)OCF 814faa10c6fda745c512de299e8c02e0 [0,2,0,0,0,0|0,0,0]=2 2238 B10R0.24 C=CCC(C=C)OCCCC 79dcab914f1342c9848dabf2cd4f8cb9 [0,2,0,0,0,0|2,0,0]=4 2239 B10R0.24 C=CCN(C#N)CCCCC 825ba14222e6f998b8a17b96a8a7bd84 [0,2,0,0,0,0|2,0,0]=4 2240 B10R0.24 C=C[C@H](CCCCC)OCC 3a4d862c38cdc003a94c27a4e7b8df7f [0,2,0,0,0,0|0,0,0]=2 2241 B10R0.24 C=C[C@H](CCCCC)OCF ae3759f7a1d3e2e72c1b4ade32f6ba5e [0,2,0,0,0,0|0,0,0]=2 2242 B10R0.24 CCCCCC(CC)OCC f1e5ecf57e6b559d8bd03908dd3f1294 [0,2,0,0,0,0|0,0,2]=4 2243 B10R0.24 CCCCCC(CC)OCF 59d4d2947f06fa2eb36f9741580b0b52 [0,2,0,0,0,0|0,0,2]=4 2244 B10R0.24 CCCCCN(C=O)CCO 96121951b82ae2714360bd22f86e4e05 [0,2,0,0,0,0|2,0,0]=4 2245 B10R0.24 CCCCC[C@H](CC)OCC 40180de9fd9da42585f0165bff867107 [0,2,0,0,0,0|0,0,2]=4 2246 B10R0.24 CCCCC[C@H](CC)OCF 652f1d5170cc534d22e3ce5296582866 [0,2,0,0,0,0|0,0,2]=4 2247 B10R0.83 C=CC(=O)N(C)CCCCC ee513193409d9e3242aba1e7cc9da17f [0,2,0,0,0,0|0,0,2]=4 2248 B10R0.83 C=CC(C)N(C)CCCCC 2cbf53d9836a659e777c042c71c4a8d3 [0,2,0,0,0,0|1,0,0]=3 2249 B10R0.83 C=CC(C)N(C)CCCCO 9251a053b4a010db9ec19cae3778be83 [0,2,0,0,0,0|2,0,0]=4 2250 B10R0.83 C=CC(C)N(C)CCCOC 78a4dbd013ce7798d9f9242425310d5f [0,2,0,0,0,0|2,0,0]=4 2251 B10R0.83 C=CC(C)N(C)CCOCC f13e5ba0ae2c933555004843d66015f0 [0,2,0,0,0,0|2,0,0]=4 2252 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7f6c8bf675aec94b6adb8430d9539ad2 [0,2,0,0,0,0|1,0,0]=3 2253 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCF 8ed50f5d166cc7d48f2a6433e243003d [0,2,0,0,0,0|2,0,0]=4 2254 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCS 361f399d99729b8773ecd15be33e3067 [0,2,0,0,0,0|2,0,0]=4 2255 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCOC 26077726f27980b28f8d1c27ffa768a6 [0,2,0,0,0,0|2,0,0]=4 2256 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCSC a9140fcf12c8ebc70dda59ca0f9d62d6 [0,2,0,0,0,0|2,0,0]=4 2257 B10R0.83 C=C[C@@H](C)[C@@H](C)OCOCC 0ddb2466a1c50318a1def19335e5c7c7 [0,2,0,0,0,0|2,0,0]=4 2258 B10R0.83 C=C[C@@H](C)[C@H](C)OCCCC 09a10c3189d6c6b409305db70918142a [0,2,0,0,0,0|1,0,0]=3 2259 B10R0.83 C=C[C@@H](C)[C@H](C)OCCCF 6c1df2e76d0f5a643703b720b61e25c4 [0,2,0,0,0,0|2,0,0]=4 2260 B10R0.83 C=C[C@@H](C)[C@H](C)OCCCS fc5457297a271cddb498c209d958633d [0,2,0,0,0,0|2,0,0]=4 2261 B10R0.83 C=C[C@@H](C)[C@H](C)OCCOC 35816ddf7ad9c42cf3d3b083633cb6fa [0,2,0,0,0,0|2,0,0]=4 2262 B10R0.83 C=C[C@@H](C)[C@H](C)OCCSC 8527c63e6f31d7726e1927858dd9b521 [0,2,0,0,0,0|2,0,0]=4 2263 B10R0.83 C=C[C@@H](C)[C@H](C)OCOCC 436d4a5ef2d6c8b01163f3f67b6b1f8e [0,2,0,0,0,0|2,0,0]=4 2264 B10R0.83 C=C[C@H](C)[C@@H](C)OCCCC 3eeb9f2ff875fae3960cb05db8860d65 [0,2,0,0,0,0|1,0,0]=3 2265 B10R0.83 C=C[C@H](C)[C@@H](C)OCCCF 2b876a1be2de54b16046daad16c1cab3 [0,2,0,0,0,0|2,0,0]=4 2266 B10R0.83 C=C[C@H](C)[C@@H](C)OCCCS 73bb7d578a3a90bded84b265bf9f08e7 [0,2,0,0,0,0|2,0,0]=4 2267 B10R0.83 C=C[C@H](C)[C@@H](C)OCCOC b3caaf7182fe0541d85410c74be3fa54 [0,2,0,0,0,0|2,0,0]=4 2268 B10R0.83 C=C[C@H](C)[C@@H](C)OCCSC 5b05355e2864d1db179a6d9f9755da9f [0,2,0,0,0,0|2,0,0]=4 2269 B10R0.83 C=C[C@H](C)[C@@H](C)OCOCC bc6bee392be247ebe6ad4dfea6fea101 [0,2,0,0,0,0|2,0,0]=4 2270 B10R0.83 C=C[C@H](C)[C@H](C)OCCCC 9af81ec4adaa9c4e78c818c6ee443cce [0,2,0,0,0,0|1,0,0]=3 2271 B10R0.83 C=C[C@H](C)[C@H](C)OCCCF b1cc339158eb6a8ebaf37168689db93c [0,2,0,0,0,0|2,0,0]=4 2272 B10R0.83 C=C[C@H](C)[C@H](C)OCCCS dc144f1933eb27b648795bd4b13a538b [0,2,0,0,0,0|2,0,0]=4 2273 B10R0.83 C=C[C@H](C)[C@H](C)OCCOC 04f51ee3ba14d62c6219813baa936158 [0,2,0,0,0,0|2,0,0]=4 2274 B10R0.83 C=C[C@H](C)[C@H](C)OCCSC 652d5e4907e6aafc3c3f25ab21e38775 [0,2,0,0,0,0|2,0,0]=4 2275 B10R0.83 C=C[C@H](C)[C@H](C)OCOCC 73be78115178c05eb85b59f763352485 [0,2,0,0,0,0|2,0,0]=4 2276 B10R0.83 CCCCCN(C)C(=O)C=O 14c87f2dff050a4a4225ad4321919e97 [0,2,0,0,0,0|2,0,0]=4 2277 B10R0.83 CCCCCN(C)C(C)C=O 0bb6f03cc16f4d54fdcc4d2652d92322 [0,2,0,0,0,0|2,0,0]=4 2278 B10R0.83 CCCCCN(C)[C@H](C)C=O 8e1532c21404e57e7e1896af02bba573 [0,2,0,0,0,0|2,0,0]=4 2279 B10R0.83 CCCNCC(O)C(=O)OC d0bb5918496e7a2fafd46469577e6de1 [0,2,0,0,0,0|1,0,1]=4 2280 B10R0.91 C/C=C/CN(C)CCCCC b643bb30cb7e9977df41b277f79cc54b [0,2,0,0,0,0|2,0,0]=4 2281 B10R0.91 C/C=C\CN(C)CCCCC 177287e1a7956982e54aea0b21af892f [0,2,0,0,0,0|2,0,0]=4 2282 B10R0.91 C=CCCC(C)NCCCC 39324d8b2bf9a6d6ecdf1b11b9095afc [0,2,0,0,0,0|2,0,0]=4 2283 B10R0.91 C=CCCC(C)OCCCC d67aee06cb8ddc7d206ae6b1d891bd14 [0,2,0,0,0,0|2,0,0]=4 2284 B10R0.91 C=CCCC(O)CNCCC 54318f75d3d49ad2618bbb8a68021310 [0,2,0,0,0,0|1,0,0]=3 2285 B10R0.91 C=CCCC(O)CNCCF 4cfcffbbefe4296a0ef4e9208a97d074 [0,2,0,0,0,0|2,0,0]=4 2286 B10R0.91 C=CCCC(O)CNCCO 51bedfc110c9331cb4f6c47c082fd5fe [0,2,0,0,0,0|2,0,0]=4 2287 B10R0.91 C=CCCC(O)CNCCS 2bc05bf16d9276303a7d6931f76d40a6 [0,2,0,0,0,0|2,0,0]=4 2288 B10R0.91 C=CCCC(O)CNCOC b95113d88cca5c1e32152e1c54bbc528 [0,2,0,0,0,0|2,0,0]=4 2289 B10R0.91 C=CCCC(O)CNCSC caa85f2fd612630b0a075824fc615794 [0,2,0,0,0,0|2,0,0]=4 2290 B10R0.91 C=CCCN(C)CCCCC 600d11d4b28de1fa6d1d48bd67106e34 [0,2,0,0,0,0|2,0,0]=4 2291 B10R0.91 C=CCC[C@@H](C)OCCCC bb027b272eddd88a3b4aecc3b22414c9 [0,2,0,0,0,0|2,0,0]=4 2292 B10R0.91 C=CCC[C@@H](O)CNCCBr d32a13411e396b02c689f258c06e898b [0,2,0,0,0,0|2,0,0]=4 2293 B10R0.91 C=CCC[C@@H](O)CNCCC a36c93dde8e6b3c9854d8b8ae8ca6151 [0,2,0,0,0,0|1,0,0]=3 2294 B10R0.91 C=CCC[C@@H](O)CNCCF 3662d7719b1f1f877754b95b53738a5a [0,2,0,0,0,0|2,0,0]=4 2295 B10R0.91 C=CCC[C@@H](O)CNCCI d0abc09d70dc88861f090e7d6d3a7fe8 [0,2,0,0,0,0|2,0,0]=4 2296 B10R0.91 C=CCC[C@@H](O)CNCCO fa8e98d8c945fb94f5cd2925c78d962b [0,2,0,0,0,0|2,0,0]=4 2297 B10R0.91 C=CCC[C@@H](O)CNCCS 0b00d003a03cb51bd605a1b3384ee889 [0,2,0,0,0,0|2,0,0]=4 2298 B10R0.91 C=CCNC(C)CCCCC e5b34bb66e26eb176e1a877b6a01860f [0,2,0,0,0,0|1,0,0]=3 2299 B10R0.91 C=CCN[C@@H](C)CCCCC 42e3b3ea7ec24ff8a1b018b4d20eaf6c [0,2,0,0,0,0|1,0,0]=3 2300 B10R0.91 C=CCOC(C)CCCCC 1bf318c09ab551e6504949fb18974eac [0,2,0,0,0,0|1,0,0]=3 2301 B10R0.91 C=CCOC(C)COCCC 3a6f621ee624fcf93b19d9f35eabfaeb [0,2,0,0,0,0|2,0,0]=4 2302 B10R0.91 C=CCO[C@@H](C)CCCCC 2ee769b365c5d7600b33a7d7cbc56689 [0,2,0,0,0,0|1,0,0]=3 2303 B10R0.91 C=CCO[C@H](C)CCCCC ee38a79dc4d8a69b1a244e1fe20b43b0 [0,2,0,0,0,0|1,0,0]=3 2304 B10R0.91 CCCCCC(C)NCC=O 150b09f14e530a104818daa6781cb9de [0,2,0,0,0,0|1,0,1]=4 2305 B10R0.91 CCCCCC(C)OCC=O b8c5585eaae6e000325f96773525d1b7 [0,2,0,0,0,0|1,0,1]=4 2306 B10R0.91 CCCCCN(C)C/C=C/Cl 2a8115db637703b19b46560609b3e0b5 [0,2,0,0,0,0|2,0,0]=4 2307 B10R0.91 CCCCCN(C)C/C=C\Cl 69cd6948a17f585092684d75917d65a7 [0,2,0,0,0,0|2,0,0]=4 2308 B10R0.91 CCCCCN(C)C/C=C\O f012a7b910e47fc28ca5fca1a496879e [0,2,0,0,0,0|2,0,0]=4 2309 B10R0.91 CCCCC[C@@H](C)OCC=O 5d597290901426621601c215c0b29b48 [0,2,0,0,0,0|1,0,1]=4 2310 B10R0.91 CCCCC[C@H](C)NCC=O 911cb71997224f1438cb59b3616f9c1c [0,2,0,0,0,0|1,0,1]=4 2311 B10R0.91 CCCCC[C@H](C)OCC=O a46961302ad7e0a9ddd3f577a4f840a9 [0,2,0,0,0,0|1,0,1]=4 2312 B10R0.108 C/C=C/C(C)OCC(C)CC 3fe268301bf325282be907a742c7c87a [0,2,0,0,0,0|2,0,0]=4 2313 B10R0.108 C/C=C/C(C)OC[C@@H](C)CC 07d71a35552d00f7ff23db20f36eff49 [0,2,0,0,0,0|2,0,0]=4 2314 B10R0.108 C/C=C/C(C)OC[C@H](C)CC 55abd7603c7226aac332f8560a9ddc04 [0,2,0,0,0,0|2,0,0]=4 2315 B10R0.108 C=CC(=O)NCC(O)CCC fdd0bbb6f877d20d2143d86df364e03f [0,2,0,0,0,0|0,0,2]=4 2316 B10R0.108 C=CC(C)COC(C)CCC 64297fc5f6324f69a58a54cede189240 [0,2,0,0,0,0|1,0,0]=3 2317 B10R0.108 C=CC(C)COC(C)COC 7d2fd4a1161742f148b8824a57bf4867 [0,2,0,0,0,0|2,0,0]=4 2318 B10R0.108 C=CC(C)NCC(=O)CCC 7c1005f1873b9b53e80c3bdfed19be1e [0,2,0,0,0,0|1,0,1]=4 2319 B10R0.108 C=CC(C)NCC(C)CCC dbe49c2e0e6c804c3efb412866aab658 [0,2,0,0,0,0|1,0,0]=3 2320 B10R0.108 C=CC(C)NCC(C)CCO 744f12f84a182ef62620bdb491c13f0a [0,2,0,0,0,0|2,0,0]=4 2321 B10R0.108 C=CC(C)NCC(C)OCC 62626b7b53a87dcfbee56b44f1d2d732 [0,2,0,0,0,0|2,0,0]=4 2322 B10R0.108 C=CC(C)NCC(O)CCC 3680b95db2c0846adc3fc4436f62463b [0,2,0,0,0,0|1,0,0]=3 2323 B10R0.108 C=CC(C)NCC(O)COC f145dae9dc9576b55554809b7265444b [0,2,0,0,0,0|2,0,0]=4 2324 B10R0.108 C=CC(C)NC[C@@H](O)CCO faa5a017288a5bcce4a217990e11e0b6 [0,2,0,0,0,0|2,0,0]=4 2325 B10R0.108 C=CC(C)NC[C@H](O)COC 4aa7a6dd851623749216eb24ccbb3a1e [0,2,0,0,0,0|2,0,0]=4 2326 B10R0.108 C=CC(C)OCC(=O)CCC bb9528ba6a8d0a59b62b52530b6b5307 [0,2,0,0,0,0|1,0,1]=4 2327 B10R0.108 C=CC(C)OCC(C)CCC 173a7ef9d9578ef677b1c5ebe589fcf0 [0,2,0,0,0,0|1,0,0]=3 2328 B10R0.108 C=CC(C)OCC(C)COC 32bb5f7e356889411eb23e811fae8fab [0,2,0,0,0,0|2,0,0]=4 2329 B10R0.108 C=CC(C)OCC(C)OCC 9afd97a308f252406cf859fe7a237349 [0,2,0,0,0,0|2,0,0]=4 2330 B10R0.108 C=CC(C)OC[C@@H](C)COC 300455628c2e9f269f22cc77b44ac62b [0,2,0,0,0,0|2,0,0]=4 2331 B10R0.108 C=CC(C)OC[C@@H](O)CCO 8b3be858495e8f4193dce905e90c50c3 [0,2,0,0,0,0|2,0,0]=4 2332 B10R0.108 C=CC(O)CNC(=O)CCC 082c20db2214970ada73526052ea9865 [0,2,0,0,0,0|0,0,1]=3 2333 B10R0.108 C=CC(O)CNC(=O)CCF aa53ac1e1b040ac4427275196c0248c1 [0,2,0,0,0,0|1,0,1]=4 2334 B10R0.108 C=CC(O)CNC(=O)CCO bc7da08d57eefaa0a5cf26f6009effda [0,2,0,0,0,0|1,0,1]=4 2335 B10R0.108 C=CC(O)CNC(=O)CCS 7f69cfc1dd63b0990c3fbb87e6146c88 [0,2,0,0,0,0|1,0,1]=4 2336 B10R0.108 C=CC(O)CNC(=O)COC 604e22b868cfbca1133a27bdedabb4f4 [0,2,0,0,0,0|1,0,1]=4 2337 B10R0.108 C=CC(O)CNC(=O)CSC 8dd9818e38506cb724c3d2c5f2fa8fb0 [0,2,0,0,0,0|1,0,1]=4 2338 B10R0.108 C=CC(O)CNC(C)CC#N d7efdd188902fc0eebded41b7a3737e1 [0,2,0,0,0,0|1,0,1]=4 2339 B10R0.108 C=CC(O)CNC(C)CCC e0b4b57d8d2b82d4184f25301b348a02 [0,2,0,0,0,0|0,0,0]=2 2340 B10R0.108 C=CC(O)CNC(C)CCO bd89589bdb9a4d19c27620f959e87755 [0,2,0,0,0,0|1,0,0]=3 2341 B10R0.108 C=CC(O)CNC(C)COC 1ee3c93a706c4c8978f0f6ac2981f04b [0,2,0,0,0,0|1,0,0]=3 2342 B10R0.108 C=CCC(C)CNC(C)CC c04d129262240e7fd017bd68c0107be9 [0,2,0,0,0,0|2,0,0]=4 2343 B10R0.108 C=CCC(C)CN[C@@H](C)CC bbe83120910657c27c51d47b52048761 [0,2,0,0,0,0|2,0,0]=4 2344 B10R0.108 C=CCC(C)CN[C@H](C)CC f603bb234d7ebede314bf81eb55fc90c [0,2,0,0,0,0|2,0,0]=4 2345 B10R0.108 C=CCC(C)COC(C)CC b0fd1acf78cf0d9a202e70b662c88833 [0,2,0,0,0,0|2,0,0]=4 2346 B10R0.108 C=CCC(C)CO[C@@H](C)CC 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CCCC(C)OC[C@H](O)CO 6ef8cac7fa544129d5a39ac01b37eceb [0,2,0,0,0,0|1,0,1]=4 2380 B10R0.108 CCCC(O)CNC(C)C=O 5427d6b0780c2c63354b833777f964a0 [0,2,0,0,0,0|2,0,0]=4 2381 B10R0.108 CCCC(O)CN[C@H](C)C=O 21a97164f0e4769f71841af4a269ebbf [0,2,0,0,0,0|2,0,0]=4 2382 B10R0.108 CCC[C@@H](C)OCC(O)CO 76cb847d9caf96e7b748b5c67ff36396 [0,2,0,0,0,0|1,0,1]=4 2383 B10R0.108 CCC[C@@H](C)OC[C@@H](O)CO 099df7878babdfa26c1bb83ba9566e68 [0,2,0,0,0,0|1,0,1]=4 2384 B10R0.108 CCC[C@@H](C)OC[C@H](O)CO 539970781b479fa71ba15be078c4c50d [0,2,0,0,0,0|1,0,1]=4 2385 B10R0.108 CCC[C@H](C)NCC(O)CC 16e4d581fdea7e17c5060b7b7b5a0733 [0,2,0,0,0,0|0,0,2]=4 2386 B10R0.108 CCC[C@H](C)NCC(O)CF a06d95dcc942e2f319cd2f8e4b482ef5 [0,2,0,0,0,0|1,0,1]=4 2387 B10R0.108 CCC[C@H](C)NCC(O)CO 175d4da74b94367aca77b474351c5c32 [0,2,0,0,0,0|1,0,1]=4 2388 B10R0.108 CCC[C@H](C)NC[C@@H](O)CO 65fd852d570a03f5ad7eb9140cba4e23 [0,2,0,0,0,0|1,0,1]=4 2389 B10R0.108 CCC[C@H](C)NC[C@H](O)CO 9b8174133e325fbe0a2b57d94bfd1934 [0,2,0,0,0,0|1,0,1]=4 2390 B10R0.108 CCC[C@H](C)OCC(O)CO f71ca8dc6d5d341eb11f36ee1c2bdafe [0,2,0,0,0,0|1,0,1]=4 2391 B10R0.108 CCC[C@H](C)OC[C@@H](O)CO fe40073832c66242968c57cf43a19faa [0,2,0,0,0,0|1,0,1]=4 2392 B10R0.108 CCC[C@H](C)OC[C@H](O)CO a3b3d9d60719707bc5b61e9c14d22b5a [0,2,0,0,0,0|1,0,1]=4 2393 B10R0.156 C=CCC(C)(C)COCCC 989b92d061b4a80025c0f651c013f269 [0,2,0,0,0,0|2,0,0]=4 2394 B10R0.46 C=CC(C)N(C)CC(O)CC 408bcc75bc2cfd939b1921a6fb709ecb [0,2,0,0,0,0|2,0,0]=4 2395 B10R0.46 C=CC(C)NC(C)C(C)CC bc3eadd6064d0f4f0d540010a72b0e8c [0,2,0,0,0,0|2,0,0]=4 2396 B10R0.46 C=CC(C)OC(C)C(C)CC 418c729ce692197d8438ac8cd8483cb6 [0,2,0,0,0,0|2,0,0]=4 2397 B10R0.46 C=C[C@@H](C)[C@@H](C)OC(C)CC 321f0d3e7391a0a54dd861e87a59e2e5 [0,2,0,0,0,0|2,0,0]=4 2398 B10R0.46 C=C[C@@H](C)[C@H](C)OC(C)CC a25fcf2094014fd73c6381c16d52604f [0,2,0,0,0,0|2,0,0]=4 2399 B10R0.46 C=C[C@H](C)[C@@H](C)OC(C)CC b8a4e189baf0c52472e809cd81f2ab56 [0,2,0,0,0,0|2,0,0]=4 2400 B10R0.46 C=C[C@H](C)[C@H](C)OC(C)CC 839886d67783f0f4bcdaf5b21d19e7e4 [0,2,0,0,0,0|2,0,0]=4 2401 B10R0.85 C=CC(C)N(CC)CCCC 45184372ce51e18b037de0494d288cc0 [0,2,0,0,0,0|2,0,0]=4 2402 B10R0.42 CCCNCC(C)(O)C(=O)O 75ca685eb56a4e663af18534fb9b8625 [0,2,0,0,0,0|2,0,0]=4 2403 B10R0.42 CCCNC[C@@](C)(O)C(=O)O d8846f3516d478c9db3c9e450d4788cb [0,2,0,0,0,0|2,0,0]=4 2404 B10R0.42 CCCNC[C@](C)(O)C(=O)O 006133ee0a8a5bd6432c80b162b5b768 [0,2,0,0,0,0|2,0,0]=4 2405 B10R0.42 CCCOCC(C)(O)C(=O)O b3d49369d705a53d6c0a213d0989abc7 [0,2,0,0,0,0|2,0,0]=4 2406 B10R0.42 CCCOC[C@@](C)(O)C(=O)O 56e883c8ea3f6ce6ca32d17eafbde646 [0,2,0,0,0,0|2,0,0]=4 2407 B10R0.42 CCCOC[C@](C)(O)C(=O)O 82be2e6a9d5ea887d7dad167790d6840 [0,2,0,0,0,0|2,0,0]=4 2408 B10R0.62 C=CC(C)(C)CCCNCC e7087758a05847f5fb4364a8cedaa1f4 [0,2,0,0,0,0|1,0,0]=3 2409 B10R0.62 C=CC(C)(C)CCCNCF 3b3f867445993325d001161dec433d44 [0,2,0,0,0,0|2,0,0]=4 2410 B10R0.62 C=CC(C)(C)CCCNCO fc5e153ccc5d7427d973bd4b5529dfc7 [0,2,0,0,0,0|2,0,0]=4 2411 B10R0.62 C=CC(C)(C)COCCCC 28bfc2e96a463da558a6683657a89092 [0,2,0,0,0,0|1,0,0]=3 2412 B10R0.62 C=CC(C)(C)COCCCF 65daad68339a64bf1d775d6b68feab5b [0,2,0,0,0,0|2,0,0]=4 2413 B10R0.62 C=CC(C)(C)COCCCS 8435af0c79aac8c14d53d0c5ed7d845b [0,2,0,0,0,0|2,0,0]=4 2414 B10R0.62 C=CC(C)(C)COCCOC f066ab55a896e8aa307fcc08b1643eb6 [0,2,0,0,0,0|2,0,0]=4 2415 B10R0.62 C=CC(C)(C)COCCSC 98bff4b2a4c54023ba906df4d4ee38b6 [0,2,0,0,0,0|2,0,0]=4 2416 B10R0.62 C=CC(C)(C)COCOCC aeb5b5c9cd3fb063a9d3a5baff7e9944 [0,2,0,0,0,0|2,0,0]=4 2417 B10R0.62 CCCCNCC(C)(O)CC 02d64dd645836434aa01999b7556cd8b [0,2,0,0,0,0|0,0,2]=4 2418 B10R0.62 CCCCOCC(C)(C)C=O d74ca819aba62b04a2b7f05d85ce8e2c [0,2,0,0,0,0|2,0,0]=4 2419 B10R0.115 C=CC(C)(C)COC(C)CC 154c48e950e75613a4b99931406a84cd [0,2,0,0,0,0|2,0,0]=4 2420 B10R0.115 C=CC(C)NCC(C)(C)CC dbedca4244770c28cc081a3e07e5a05d [0,2,0,0,0,0|2,0,0]=4 2421 B10R0.115 C=CC(C)NCC(C)(O)CC 1a5454e2413d235977d514f1668dfa55 [0,2,0,0,0,0|2,0,0]=4 2422 B10R0.115 C=CC(C)OCC(F)(F)CC d4dace23f1504931569e5123650ddc9a [0,2,0,0,0,0|2,0,0]=4 2423 B10R0.45 C#CC(C=C)OCC(C)CC 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913b63b58bc34dbe3187339c6ba47da1 [0,2,0,0,0,0|2,0,0]=4 2435 B10R0.45 C=CC(CC)OCC(C)CC 8f9c3175bac34fc9335834a842c93d9f [0,2,0,0,0,0|2,0,0]=4 2436 B10R0.45 C=CC(CC)OC[C@@H](C)CC 6d334a143737ab01f7db9b8f1843074a [0,2,0,0,0,0|2,0,0]=4 2437 B10R0.45 C=CC(CC)OC[C@H](C)CC c1998d1a4339b72d74017eb523ae27eb [0,2,0,0,0,0|2,0,0]=4 2438 B10R0.45 C=CC(O)CNC(C=O)CC a05e6749b006cc1ddaac06ef29580832 [0,2,0,0,0,0|1,0,0]=3 2439 B10R0.45 C=CC(O)CNC(CC)CC b19dbf509fb3bcaab5ee0a74f1037653 [0,2,0,0,0,0|1,0,0]=3 2440 B10R0.45 C=CC(O)CNC(CC)CO 15b7aa8090a5a75284f941460570c412 [0,2,0,0,0,0|1,0,0]=3 2441 B10R0.45 C=CC(O)CNC(CF)CF 7f633801aaa57a7ad2cce4f2922c6f4c [0,2,0,0,0,0|2,0,0]=4 2442 B10R0.45 C=CC(O)CNC(CO)CO ebbfc7e16b34ca4cfac9f6269ba2a026 [0,2,0,0,0,0|2,0,0]=4 2443 B10R0.45 C=C[C@@H](CO)NCC(=C)CC a9d73e4fb891c664058f5d1adb36116c [0,2,0,0,0,0|1,0,1]=4 2444 B10R0.45 C=C[C@@H](CO)NCC(=O)CC 435f938970c546ebf3ae1d262067ec0c [0,2,0,0,0,0|1,0,1]=4 2445 B10R0.45 C=C[C@@H](CO)NCC(C)CC 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B10R0.45 C=C[C@@H](CO)NC[C@H](C)CO aa4f74b4c8249c112e330a952c41fd9d [0,2,0,0,0,0|2,0,0]=4 2457 B10R0.45 C=C[C@@H](CO)NC[C@H](C)OC 7e83e18a8db6baecc04232415279eddd [0,2,0,0,0,0|2,0,0]=4 2458 B10R0.45 C=C[C@@H](CO)NC[C@H](O)CO 066233b187817a1f4bf4f9ce1c67127c [0,2,0,0,0,0|2,0,0]=4 2459 B10R0.45 C=C[C@H](C)OCC(CC)CC 907a6f7ccf3b61ac1266e560cf9f0139 [0,2,0,0,0,0|2,0,0]=4 2460 B10R0.18 C=CC(=O)NC(C)CCCC 400b89c41d7d8fd0f6aa65d013dc84e6 [0,2,0,0,0,0|0,0,2]=4 2461 B10R0.18 C=CC(=O)N[C@H](C)CCCC 64337f26e4b5b890f885f8c97e81fb00 [0,2,0,0,0,0|0,0,2]=4 2462 B10R0.18 C=CC(C)CC(=O)NCCC e16274a2c8b3858f5cb94d103c3efc6f [0,2,0,0,0,0|1,0,1]=4 2463 B10R0.18 C=CC(C)NC(=O)CCCC 8695ff998597c92a9e53290c85e8ee93 [0,2,0,0,0,0|1,0,1]=4 2464 B10R0.18 C=CC(C)NC(C)CCCC badbdf6721aca3aa03b46845c74e63a7 [0,2,0,0,0,0|1,0,0]=3 2465 B10R0.18 C=CC(C)NC(C)CCCO d9deaccba327ff84665911581da37501 [0,2,0,0,0,0|2,0,0]=4 2466 B10R0.18 C=CC(C)N[C@H](C)CCCC 0b10e4cec838e4e10e4ab8be9bdab8b9 [0,2,0,0,0,0|1,0,0]=3 2467 B10R0.18 C=CC(C)N[C@H](C)CCCO de3592be125cb134534f5cb044cd0898 [0,2,0,0,0,0|2,0,0]=4 2468 B10R0.18 C=CC(C)OC(C)CCCC f527823525e57450e1f35e94c5c63765 [0,2,0,0,0,0|1,0,0]=3 2469 B10R0.18 C=CC(C)OC(C)CCOC 28817122b1609e0a9ea9632c7845df29 [0,2,0,0,0,0|2,0,0]=4 2470 B10R0.18 C=CC(C)OC(C)CCSC 863a8a268bec2e6ee8e3f236072f02dd [0,2,0,0,0,0|2,0,0]=4 2471 B10R0.18 C=CC(C)OC(C)COCC 8968e1f7a9d05a07ef44f5ab183266ef [0,2,0,0,0,0|2,0,0]=4 2472 B10R0.18 C=CC(C)O[C@@H](C)CCCC 1aa06e8f918499183a31879321293210 [0,2,0,0,0,0|1,0,0]=3 2473 B10R0.18 C=CC(C)O[C@H](C)CCCC f1502bb0c8aa81b6b029d33940f84d3c [0,2,0,0,0,0|1,0,0]=3 2474 B10R0.18 C=C[C@H](C)OC(C)CCCC 6bf997945f02841fa78109b066b7094b [0,2,0,0,0,0|1,0,0]=3 2475 B10R0.18 CCCCC(C)NC(C)C=O 923fee2ba317d157b4bf12931802a01e [0,2,0,0,0,0|2,0,0]=4 2476 B10R0.18 CCCCC(C)N[C@H](C)C=O a5b3458fb33324edb32ff1269fe401ae [0,2,0,0,0,0|2,0,0]=4 2477 B10R0.18 CCCCC(C)OC(C)C=O ce6432608323bdc4e486b6a800db1f65 [0,2,0,0,0,0|2,0,0]=4 2478 B10R0.18 CCCCC(C)O[C@H](C)C=O 0fabcccdda0d54eed3406d0a8847537e [0,2,0,0,0,0|2,0,0]=4 2479 B10R0.18 CCCCN(C)CC(O)CC 7df34eccd53c14825d792cccc0b4934f [0,2,0,0,0,0|0,0,2]=4 2480 B10R0.18 CCCCN(C)CC(O)CF 77237f0e611a89c924b9cd6b99f4576b [0,2,0,0,0,0|1,0,1]=4 2481 B10R0.18 CCCCN(C)CC(O)CO 18500143629b89f85c1d721121bba370 [0,2,0,0,0,0|1,0,1]=4 2482 B10R0.18 CCCCN(C)C[C@@H](O)CO f6f3c30b33a6a0bcb0642df08bb43204 [0,2,0,0,0,0|1,0,1]=4 2483 B10R0.18 CCCCN(C)C[C@H](O)CO c0b61c283360c0c347097e2fe48221cd [0,2,0,0,0,0|1,0,1]=4 2484 B10R0.18 CCCC[C@@H](C)NC(C)C=O 73531ad042053976d0fd69958e07a825 [0,2,0,0,0,0|2,0,0]=4 2485 B10R0.18 CCCC[C@@H](C)N[C@H](C)C=O 0a58dcfd0772b79e8076f388b633b73f [0,2,0,0,0,0|2,0,0]=4 2486 B10R0.18 CCCC[C@@H](C)OC(C)C=O 79a4622ff886aa5f6820851e46567a7b [0,2,0,0,0,0|2,0,0]=4 2487 B10R0.18 CCCC[C@@H](C)O[C@H](C)C=O 45896b9481c065d6b5400983e1223a0a [0,2,0,0,0,0|2,0,0]=4 2488 B10R0.18 CCCC[C@H](C)OC(C)C=O 1f50ae10aefc608ec921423ca67f3fca [0,2,0,0,0,0|2,0,0]=4 2489 B10R0.18 CCCC[C@H](C)O[C@H](C)C=O 59d5dd855ef7255cae76769395367426 [0,2,0,0,0,0|2,0,0]=4 2490 B10R0.26 C=C(I)[C@H](C)CN(C)CCC 042a347415b510593be5585941d9f752 [0,2,0,0,0,0|2,0,0]=4 2491 B10R0.26 CCCC(C)NC(O)C(=O)O 1884088cb553537f73bea3607aeff497 [0,2,0,0,0,0|2,0,0]=4 2492 B10R0.26 CCCN(C)CC(O)C(=O)O 2a482740c1ee9c1dd534a9818ec2501b [0,2,0,0,0,0|2,0,0]=4 2493 B10R0.26 CCCN(C)C[C@H](O)C(=O)O 5d48a5bd3542ce66f2b5dbe85cf41917 [0,2,0,0,0,0|2,0,0]=4 2494 B10R0.29 C#CC(CCC)OC(C)C=C 915e32148a8a638bfe6f46c7ae2b6b25 [0,2,0,0,0,0|2,0,0]=4 2495 B10R0.29 C=CC(C)NC(CC)CCC 0416e6aaae85b59c059e46c594fb587f [0,2,0,0,0,0|2,0,0]=4 2496 B10R0.29 C=CC(C)NC(CO)CCC b75d4463a3cdb8fbf5013c1045315c57 [0,2,0,0,0,0|2,0,0]=4 2497 B10R0.29 C=CC(C)N[C@@H](CO)CCC 000cfc1c0ab8b1776da5eb910c6fea84 [0,2,0,0,0,0|2,0,0]=4 2498 B10R0.29 C=CC(C)N[C@H](CO)CCC 3cee0f2b54f46f5a5b43906672ad4c2c [0,2,0,0,0,0|2,0,0]=4 2499 B10R0.29 C=CC(C)OC(C#N)CCC debe32de09c9291aa00eae3ac857f0bd [0,2,0,0,0,0|2,0,0]=4 2500 B10R0.29 C=CC(C)OC(C=C)CCC 651a9b7b59afe9c0b22cc6ec2115138e [0,2,0,0,0,0|2,0,0]=4 2501 B10R0.29 C=CC(C)OC(CC)CCC 0c5d83aa80f4aa3610485a85ea28d6eb [0,2,0,0,0,0|2,0,0]=4 2502 B10R0.29 C=CC(C)O[C@H](CC)CCC 0b835446a486072c8c0d5f52101f2061 [0,2,0,0,0,0|2,0,0]=4 2503 B10R0.29 C=C[C@H](C)OC(CC)CCC 0bd4dd2bc92060f8ee08c20e85759f43 [0,2,0,0,0,0|2,0,0]=4 2504 B10R0.34 C#CC(C=C)OC(C)CCC 0fe979b50bdae8367d337a7be27a17fd [0,2,0,0,0,0|2,0,0]=4 2505 B10R0.34 C=CC(C=C)OC(C)CCC bd79d32be294d42ada92e16d3706333e [0,2,0,0,0,0|2,0,0]=4 2506 B10R0.34 C=CC(CC)OC(C)CCC ba652d5e9ed613d851d59a7c2567939f [0,2,0,0,0,0|2,0,0]=4 2507 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 5b2db2faf50534985d6031daf37bdad4 [0,2,0,0,0,0|1,0,1]=4 2508 B10R0.34 C=C[C@@H](CO)NC(C)CCC b2869236874f14c86fe6e659c36fb647 [0,2,0,0,0,0|1,0,0]=3 2509 B10R0.34 C=C[C@@H](CO)NC(C)CCO e623a9996d5e69ede6f549c62530b813 [0,2,0,0,0,0|2,0,0]=4 2510 B10R0.34 C=C[C@@H](CO)NC(C)COC 0e36f78eafef46de20d39d555216663b [0,2,0,0,0,0|2,0,0]=4 2511 B10R0.41 C#CC(C=C)OCCCCC 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B10R0.41 C=CC(C=C)OCCSCC ef48a1a19a58db282b1079733f783f85 [0,2,0,0,0,0|2,0,0]=4 2524 B10R0.41 C=CC(CC)OCCCCC 1840821ceed82cde6ae853a82292c428 [0,2,0,0,0,0|1,0,0]=3 2525 B10R0.41 C=CC(CC)OCCCCF de1349c36f20eac6d1a6054c05db7e67 [0,2,0,0,0,0|2,0,0]=4 2526 B10R0.41 C=CC(CC)OCCCOC 75ad1775336510752fe41a7952b398e6 [0,2,0,0,0,0|2,0,0]=4 2527 B10R0.41 C=CC(CC)OCCCSC 88170437e731497c4ea47ae5e852e0c9 [0,2,0,0,0,0|2,0,0]=4 2528 B10R0.41 C=CC(CC)OCCOCC a9fbd724b1c0de147f57f38e98772f4b [0,2,0,0,0,0|2,0,0]=4 2529 B10R0.41 C=CC(CC)OCCSCC 7d6bbbca231e0de31b821d6be4ebbb26 [0,2,0,0,0,0|2,0,0]=4 2530 B10R0.41 C=CCCCN[C@@H](C=C)CO 36c3f6fa17bf851c64b7a8fd3520261f [0,2,0,0,0,0|0,0,2]=4 2531 B10R0.41 C=C[C@@H](CO)NC/C=C/CC 4faf2d482655f513d9127a68aa55881a [0,2,0,0,0,0|0,0,2]=4 2532 B10R0.41 C=C[C@@H](CO)NCC#CCC d59041fb4d67dac371e6b53e0fbc04ec [0,2,0,0,0,0|0,0,2]=4 2533 B10R0.41 C=C[C@@H](CO)NCCCC#N 135f4822095ffd0bb6bf5201b9619861 [0,2,0,0,0,0|1,0,1]=4 2534 B10R0.41 C=C[C@@H](CO)NCCCC=O 19da584e5c24eba73a555a2cec526411 [0,2,0,0,0,0|1,0,1]=4 2535 B10R0.41 C=C[C@@H](CO)NCCCCC 682a30e9eefd7742a43c5b8180586a67 [0,2,0,0,0,0|0,0,0]=2 2536 B10R0.41 C=C[C@@H](CO)NCCCCF b65939bf83612af8afc6290379c1917c [0,2,0,0,0,0|1,0,0]=3 2537 B10R0.41 C=C[C@@H](CO)NCCCCO e31b436edb9a23d9116673780877e422 [0,2,0,0,0,0|1,0,0]=3 2538 B10R0.41 C=C[C@@H](CO)NCCCOC f36fb8cd7ea9238dec272ed68d078cbc [0,2,0,0,0,0|1,0,0]=3 2539 B10R0.41 C=C[C@@H](CO)NCCCSC ab4681f763860012bc86ccbd8c6c63fc [0,2,0,0,0,0|1,0,0]=3 2540 B10R0.41 C=C[C@@H](CO)NCCOCC 0da9ebb433f7c793c82469c9e6fcaf4f [0,2,0,0,0,0|1,0,0]=3 2541 B10R0.41 C=C[C@@H](CO)NCCSCC 43f232a41d7e3084310dae1e552f0f3d [0,2,0,0,0,0|1,0,0]=3 2542 B10R0.41 CCCCCNC(C#N)C=O 4192a6f48fb6f0b048770d7744806805 [0,2,0,0,0,0|2,0,0]=4 2543 B10R0.41 CCCCCNC(C=O)C=O b8a3273fd6980a702c42e3212ab4aeca [0,2,0,0,0,0|1,0,1]=4 2544 B10R0.41 CCCCCNC(C=O)CC 12d22b6718bb34daa837a86af61630b2 [0,2,0,0,0,0|2,0,0]=4 2545 B10R0.41 CCCCCNC(CC)CO aad7fe7c80ebd7a292e0d2d4062281a7 [0,2,0,0,0,0|0,0,2]=4 2546 B10R0.41 CCCCCNC(CO)CO b5ccb4414b3a94ecb777ca047a6971ad [0,2,0,0,0,0|1,0,1]=4 2547 B10R0.41 CCCCCN[C@@H](CC)CO 8925548da08aa5334f98a8af80c96a23 [0,2,0,0,0,0|0,0,2]=4 2548 B10R0.41 CCCCCN[C@H](CC)CO 5dd68c69aa83ce0643d0f5217f32770d [0,2,0,0,0,0|0,0,2]=4 2549 B10R0.41 CCCCCOC(C=O)C=O b73b99b1f5e914d7fe00e409d01283e5 [0,2,0,0,0,0|1,0,1]=4 2550 B10R0.41 CCCCCOC(C=O)CC 868e7873b395a96668a3795dee2fa98a [0,2,0,0,0,0|2,0,0]=4 2551 B10R0.41 CCCCCOC(CO)CO ac2784fe018d3c0e93a5334967a8e157 [0,2,0,0,0,0|1,0,1]=4 2552 B10R0.41 CCCCNCC(CC)CO 16ffcbade4ee949bf3ac4b5ae2a900e7 [0,2,0,0,0,0|0,0,2]=4 2553 B10R0.41 CCCCNCC(CO)CO 187a3c5f1dbd70830c8b32195e6368a9 [0,2,0,0,0,0|1,0,1]=4 2554 B10R0.41 CCCCNCC(OC)OC f384ce69d8ce537a52f4c67b647a8ef5 [0,2,0,0,0,0|1,0,1]=4 2555 B10R0.41 CCCCNC[C@H](CO)OC 57272cc81b22784df7322597b38436e6 [0,2,0,0,0,0|1,0,1]=4 2556 B10R0.41 CCCCOCC(CC)OC bac3e1729f45b22892b9d1854782680b [0,2,0,0,0,0|0,0,2]=4 2557 B10R0.41 CCCCOCC(OC)OC 540e233c8ba8a7bc60b3a0360e5d243d [0,2,0,0,0,0|1,0,1]=4 2558 B10R0.41 CCCNCCC(CO)CO 7dac122edb002651e7d4dde8429852c6 [0,2,0,0,0,0|1,0,1]=4 2559 B10R0.41 CCCNCCC(OC)OC b75db015ad41e4daa246e45f4d8ff2df [0,2,0,0,0,0|1,0,1]=4 2560 B10R0.41 CCCOCCC(OC)OC e457f5af226c3a4c437f0fe670d02f48 [0,2,0,0,0,0|1,0,1]=4 2561 B10R0.41 CCNCCCC(OC)OC 01fcb38433aba78cfbd53b0244713735 [0,2,0,0,0,0|1,0,1]=4 2562 B10R0.55 C=CC(=O)CCCOC(C)C ebf56e6000cb2e78d153d861267b1946 [0,2,0,0,0,0|0,0,2]=4 2563 B10R0.55 C=CC(=O)NCCCC(C)C 3bc6ee4f4b62171780d1ff5b8a159b08 [0,2,0,0,0,0|0,0,2]=4 2564 B10R0.55 C=CC(C)COCCC(=C)C 0175c48b58210bf0729bb0cf40e07fa6 [0,2,0,0,0,0|1,0,1]=4 2565 B10R0.55 C=CC(C)COCCC(=O)C 5d314aa1b53b6e076061fe4b6c5057ae [0,2,0,0,0,0|1,0,1]=4 2566 B10R0.55 C=CC(C)COCCC(C)C 24874b4ed437ab03a7a96936ce98ebc7 [0,2,0,0,0,0|1,0,0]=3 2567 B10R0.55 C=CC(C)COCCN(C)C 1229c55f15b288c373906b5619fb550c [0,2,0,0,0,0|2,0,0]=4 2568 B10R0.55 C=CC(C)COCCS(=O)C f29524ec04e28cfa6b50de35d4ee17f3 [0,2,0,0,0,0|2,0,0]=4 2569 B10R0.55 C=CC(C)COCOC(C)C 7196370a384c56f2ec11da5d0e76e282 [0,2,0,0,0,0|2,0,0]=4 2570 B10R0.55 C=CC(C)NCCCC(=C)C 2a43db0d4bfbb422cc1d91bb5734a043 [0,2,0,0,0,0|1,0,1]=4 2571 B10R0.55 C=CC(C)NCCCC(=O)C 0fbf0c56126c5f951084529f9840026d [0,2,0,0,0,0|1,0,1]=4 2572 B10R0.55 C=CC(C)NCCCC(C)C 46156959d4bc72e0c57bb4978e244914 [0,2,0,0,0,0|1,0,0]=3 2573 B10R0.55 C=CC(C)NCCCC(C)O c0b8b42c34fd87f3109d18708461233d [0,2,0,0,0,0|1,0,0]=3 2574 B10R0.55 C=CC(C)NCCCN(C)C 2eac5102952bd753318a52575714602a [0,2,0,0,0,0|2,0,0]=4 2575 B10R0.55 C=CC(C)NCCCS(=O)C 2b6cf2fdcf1ee84a5483853ebbeb6b42 [0,2,0,0,0,0|2,0,0]=4 2576 B10R0.55 C=CC(C)NCCOC(C)C 8be0da4401eca76a37c27bc8e9163abf [0,2,0,0,0,0|2,0,0]=4 2577 B10R0.55 C=CC(C)NCCSC(C)C 9c327ce12e0aeede01e343d6d87943fe [0,2,0,0,0,0|2,0,0]=4 2578 B10R0.55 C=CC(C)OCCCC(=C)C e8f5f369e66be0b461db3b5a21d4caa1 [0,2,0,0,0,0|1,0,1]=4 2579 B10R0.55 C=CC(C)OCCCC(=O)C c00ac6956602aea54e79a40d0eeda34a [0,2,0,0,0,0|1,0,1]=4 2580 B10R0.55 C=CC(C)OCCCC(C)C 57a46c9c1fa155e01f022a239cb96041 [0,2,0,0,0,0|1,0,0]=3 2581 B10R0.55 C=CC(C)OCCCN(C)C b1aef718ca42044484d0361e7e20ac3f [0,2,0,0,0,0|2,0,0]=4 2582 B10R0.55 C=CC(C)OCCOC(C)C 9d77565d1347d6e5c13bae1aa38a2253 [0,2,0,0,0,0|2,0,0]=4 2583 B10R0.55 C=CC(C)OCCSC(C)C f9d6ac9a751fac9ebe35002e1abe0aca [0,2,0,0,0,0|2,0,0]=4 2584 B10R0.55 C=CC(O)CNC/C=C(/C)\I 0bc0ae422e32ab0d29de8deed7814c37 [0,2,0,0,0,0|0,0,2]=4 2585 B10R0.55 C=CC(O)CNC/C=C(\C)/Cl 03fc18006d69e3e5dcdbfe8c6e6cf746 [0,2,0,0,0,0|0,0,2]=4 2586 B10R0.55 C=CC(O)CNCC=C(C)C 1514391fe1cf062040d0e570dbffa9de [0,2,0,0,0,0|0,0,2]=4 2587 B10R0.55 C=CC(O)CNCC=C(C)Cl fb499131210c360b00acde594ac68686 [0,2,0,0,0,0|0,0,2]=4 2588 B10R0.55 C=CC(O)CNCC=C(C)I ef243e5c159db59aff65fe904c152815 [0,2,0,0,0,0|0,0,2]=4 2589 B10R0.55 C=CC(O)CNCCC(=C)C ebf00990f55267e82a0daa6a6f3c0913 [0,2,0,0,0,0|0,0,1]=3 2590 B10R0.55 C=CC(O)CNCCC(=O)C 618e4ac20ee416ebf84c96352af3c95a [0,2,0,0,0,0|0,0,1]=3 2591 B10R0.55 C=CC(O)CNCCC(=O)N 25771ad0851c169a1066919ad29371ec [0,2,0,0,0,0|1,0,1]=4 2592 B10R0.55 C=CC(O)CNCCC(=O)O 3a78963f4f5c92a47b436a0a0df20980 [0,2,0,0,0,0|1,0,1]=4 2593 B10R0.55 C=CC(O)CNCCC(C)C 1b4e0595206a5dd27242ed2b1551f360 [0,2,0,0,0,0|0,0,0]=2 2594 B10R0.55 C=CC(O)CNCCC(C)O 43e89833f7a00613fc5ca3d8707dbe2e [0,2,0,0,0,0|0,0,0]=2 2595 B10R0.55 C=CC(O)CNCCN(C)C 250d0bdc49a2f07213f4a11008409cbd [0,2,0,0,0,0|1,0,0]=3 2596 B10R0.55 C=CC(O)CNCCS(=O)C 7ca6b157850ba903ab637eb58e1ead7e [0,2,0,0,0,0|1,0,0]=3 2597 B10R0.55 C=CC(O)CNCOC(=O)C 4d5db07697658c937f2c71323296fa5d [0,2,0,0,0,0|1,0,1]=4 2598 B10R0.55 C=CC(O)CNCOC(C)C 34bab4bdca74d73c940caa626a81582b [0,2,0,0,0,0|1,0,0]=3 2599 B10R0.55 C=C[C@H](C)OCCCC(=C)C e24d4bd9abe8b86a38bd19b369d9c313 [0,2,0,0,0,0|1,0,1]=4 2600 B10R0.55 C=C[C@H](C)OCCCC(=O)C ebb346dea71240651ec58322fae02939 [0,2,0,0,0,0|1,0,1]=4 2601 B10R0.55 C=C[C@H](C)OCCCC(C)C 58cc7b17368173c9ef41d316377325b6 [0,2,0,0,0,0|1,0,0]=3 2602 B10R0.55 C=C[C@H](C)OCCCN(C)C f2d6c7db002acf1d9de4036502957a8b [0,2,0,0,0,0|2,0,0]=4 2603 B10R0.55 C=C[C@H](C)OCCOC(C)C 48a065d6a46a5a2b1fdb23c7eee8ad41 [0,2,0,0,0,0|2,0,0]=4 2604 B10R0.55 C=C[C@H](C)OCCSC(C)C fe29f8853c94695d10aeb0caebd05b6c [0,2,0,0,0,0|2,0,0]=4 2605 B10R0.55 CC(C)CCCNC(C)C=O fcf88ea3e53b805a59d5609daf717be4 [0,2,0,0,0,0|2,0,0]=4 2606 B10R0.55 CC(C)CCCN[C@H](C)C=O 512604014d7349ebb4340a6f73220d12 [0,2,0,0,0,0|2,0,0]=4 2607 B10R0.55 CC(C)CCCOC(C)C=O 0995e151f35a02aad77923fe30facdd3 [0,2,0,0,0,0|2,0,0]=4 2608 B10R0.55 CC(C)CCCO[C@H](C)C=O e5e3fff07f6a160e1d24b77cfb7545b4 [0,2,0,0,0,0|2,0,0]=4 2609 B10R0.55 CC(C)CCNCC(O)CF 0d2aa2c496fad77d60d9b490f6e411cd [0,2,0,0,0,0|1,0,1]=4 2610 B10R0.55 CC(C)CCNCC(O)CO 78b65bf88d2e212af3da6ac5583e18bb [0,2,0,0,0,0|1,0,1]=4 2611 B10R0.55 CC(C)CCNC[C@@H](O)CO 124a7f1bfe4811660518aef20be2dff4 [0,2,0,0,0,0|1,0,1]=4 2612 B10R0.55 CC(C)CCNC[C@H](O)CO b96149c7e869766c1e57dce3506a3d94 [0,2,0,0,0,0|1,0,1]=4 2613 B10R0.55 CC(C)CCOCC(O)CO 1de19c6d1788ed85651df72ab7d6eb69 [0,2,0,0,0,0|1,0,1]=4 2614 B10R0.55 CC(C)CCOC[C@@H](O)CO c516db4bacccc470ca7c1b054525892d [0,2,0,0,0,0|1,0,1]=4 2615 B10R0.55 CC(C)CCOC[C@H](O)CO 14bc024f237346e58296178ed3309438 [0,2,0,0,0,0|1,0,1]=4 2616 B10R0.55 CC(C)CNCCC(O)CO 09279b9339bf98764da79e858ded2c36 [0,2,0,0,0,0|1,0,1]=4 2617 B10R0.55 CC(O)CCNCC(O)CF 01f14899ae84e77e64486d25df93e0a6 [0,2,0,0,0,0|1,0,1]=4 2618 B10R0.55 CC(O)CCNCC(O)CO e17de0953e8d0fd031a120b280c1771f [0,2,0,0,0,0|1,0,1]=4 2619 B10R0.55 CC(O)CCNC[C@@H](O)CO 6e692eeeb0dc1bbf2092b7e29d33ea22 [0,2,0,0,0,0|1,0,1]=4 2620 B10R0.55 CC(O)CCNC[C@H](O)CO 1b10b9715ba6942581a2a717904b8e5c [0,2,0,0,0,0|1,0,1]=4 2621 B10R0.55 CC(O)CNCCC(O)CO 12a4b966f46e20ef34a3966d8c098e23 [0,2,0,0,0,0|1,0,1]=4 2622 B10R0.55 CCC(O)CNCCC(C)C 55cbe45ac061a1408c59bdedd5d75026 [0,2,0,0,0,0|0,0,2]=4 2623 B10R0.55 CCC(O)CNCCC(C)O 1ac51659057bddb4870440e5d5146689 [0,2,0,0,0,0|0,0,2]=4 2624 B10R0.55 CCC(O)CNCC[C@@H](C)O 2534867446c70d046ae66236e6b680f0 [0,2,0,0,0,0|0,0,2]=4 2625 B10R0.55 CCC(O)CNCC[C@H](C)O 4fa7e42ed8885f9c93351eef91ae52d6 [0,2,0,0,0,0|0,0,2]=4 2626 B10R0.55 CC[C@@H](O)CNCCC(C)C 9be6544c9506232c560a1c3a7f00334b [0,2,0,0,0,0|0,0,2]=4 2627 B10R0.55 CC[C@@H](O)CNCCC(C)O 108ea467a828c215911fdf319afc157c [0,2,0,0,0,0|0,0,2]=4 2628 B10R0.55 C[C@@H](O)CCNCC(O)CF 347c5f9bcf85bd8d4262c4a65cf2775f [0,2,0,0,0,0|1,0,1]=4 2629 B10R0.55 C[C@@H](O)CCNCC(O)CO c7243d861749c25ca7426cfe4a754de0 [0,2,0,0,0,0|1,0,1]=4 2630 B10R0.55 C[C@@H](O)CCNC[C@@H](O)CO c2acb3ac9d82a34bb1633247ee72a62a [0,2,0,0,0,0|1,0,1]=4 2631 B10R0.55 C[C@@H](O)CCNC[C@H](O)CO 69c2b0deef81f79409bc53fa6015d329 [0,2,0,0,0,0|1,0,1]=4 2632 B10R0.55 C[C@@H](O)CNCCC(O)CO 48cb16c318ca70776770ecbade8bdcba [0,2,0,0,0,0|1,0,1]=4 2633 B10R0.55 C[C@H](O)CCNCC(O)CF 33bb415c49ed881feb9f23c694a210a2 [0,2,0,0,0,0|1,0,1]=4 2634 B10R0.55 C[C@H](O)CCNCC(O)CO 5653ad1047db4ce9af45c3fc4fefdbd6 [0,2,0,0,0,0|1,0,1]=4 2635 B10R0.55 C[C@H](O)CCNC[C@@H](O)CO c82ea48fb34b686745f1599aeb9baf3e [0,2,0,0,0,0|1,0,1]=4 2636 B10R0.55 C[C@H](O)CCNC[C@H](O)CO 67272552144cc92179af43af0d14f67d [0,2,0,0,0,0|1,0,1]=4 2637 B10R0.55 C[C@H](O)CNCCC(O)CO d509d4c2dc99853c711e4f3452a03d9d [0,2,0,0,0,0|1,0,1]=4 2638 B10R0.74 C#CCCCCNC(C)C=C fb68dd541be53e9f6585a43142f54a3e [0,2,0,0,0,0|1,0,1]=4 2639 B10R0.74 C#CCCCCOC(C)C=C c74170a364e5f9024ab45d8e5a44e704 [0,2,0,0,0,0|1,0,1]=4 2640 B10R0.74 C#CCCCCO[C@@H](C)C=C 19cce3e1834571c0a21a11612dc472e8 [0,2,0,0,0,0|1,0,1]=4 2641 B10R0.74 C#CCCCNCC(O)C=C cd6c6934f3d52c7b15026f9246467748 [0,2,0,0,0,0|0,0,1]=3 2642 B10R0.74 C#CCCCOCC(C)C=C 72699fe4a64a68db1096a125e698132c [0,2,0,0,0,0|1,0,1]=4 2643 B10R0.74 C=CC(=O)CCCNCCBr c4a11717c1a48d42c8ce736180caa246 [0,2,0,0,0,0|0,0,2]=4 2644 B10R0.74 C=CC(=O)CCCNCCC 6452811aa0f965a0bac588aba4cc7d75 [0,2,0,0,0,0|0,0,2]=4 2645 B10R0.74 C=CC(=O)CCCNCCF f09b1399de9c8795c368e14b38cbda57 [0,2,0,0,0,0|0,0,2]=4 2646 B10R0.74 C=CC(=O)CCCNCCI 5b121128ffec8c1dcaadf5f81008e86b [0,2,0,0,0,0|0,0,2]=4 2647 B10R0.74 C=CC(=O)CCCNCCO 8413a5ad27d0198a22c44e447107e93f [0,2,0,0,0,0|0,0,2]=4 2648 B10R0.74 C=CC(=O)CCCNCCS 9bcdfda2a7f64d0290d7670e25ae6a46 [0,2,0,0,0,0|0,0,2]=4 2649 B10R0.74 C=CC(=O)CCCOCCC 2f1f5ed625ae1d833f97ac1c8ad75a3e [0,2,0,0,0,0|0,0,2]=4 2650 B10R0.74 C=CC(=O)CCCOCCF 51cea3e5cd7e467a41ffa717300140e8 [0,2,0,0,0,0|0,0,2]=4 2651 B10R0.74 C=CC(=O)CCCOCCS 06f5106093257b304477a35f0a140d9f [0,2,0,0,0,0|0,0,2]=4 2652 B10R0.74 C=CC(=O)CCCOCOC b58ad31461c53bc8bfd54b0fb58436ae [0,2,0,0,0,0|0,0,2]=4 2653 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [0,2,0,0,0,0|0,0,2]=4 2654 B10R0.74 C=CC(=O)NCCCCCCl 5d35e702a0fe92550144e4f96ced98b6 [0,2,0,0,0,0|0,0,2]=4 2655 B10R0.74 C=CC(=O)NCCCCCO ce222738eaf189ce2ba47ad69dacec89 [0,2,0,0,0,0|0,0,2]=4 2656 B10R0.74 C=CC(=O)NCCCCOC 81797f8381e611c2a9b876a1ae808184 [0,2,0,0,0,0|0,0,2]=4 2657 B10R0.74 C=CC(=O)NCCCCSC ba9547773ce82542fa30b25bd56375ba [0,2,0,0,0,0|0,0,2]=4 2658 B10R0.74 C=CC(=O)NCCCOCC 3b384cdff3b1a9bdf6f568edaa8f72ef [0,2,0,0,0,0|0,0,2]=4 2659 B10R0.74 C=CC(=O)NCCNCCC 55130badaa16c3443a84ef96d50da361 [0,2,0,0,0,0|0,0,2]=4 2660 B10R0.74 C=CC(=O)NCCOCCC 66bf7ac7732e825d411a87372c0e16bf [0,2,0,0,0,0|0,0,2]=4 2661 B10R0.74 C=CC(=O)NCOCCCC 327e7e67c9f9e961c425796e607b435a [0,2,0,0,0,0|0,0,2]=4 2662 B10R0.74 C=CC(=O)OCCNCCC dc3d9fb28749e0db9da8f5b756c6273e [0,2,0,0,0,0|0,0,2]=4 2663 B10R0.74 C=CC(=O)OCCOCCC 58d9a252ddc93e7a4f2569b1795784b6 [0,2,0,0,0,0|0,0,2]=4 2664 B10R0.74 C=CC(C)COC/C=C/CC c62eb27823d9072a5384780b9a7050c9 [0,2,0,0,0,0|1,0,1]=4 2665 B10R0.74 C=CC(C)COCC#CCC b04df320503788f5284dbfd4fdda515e [0,2,0,0,0,0|1,0,1]=4 2666 B10R0.74 C=CC(C)COCCCC#N 87519e665227d107864b59787e993616 [0,2,0,0,0,0|1,0,1]=4 2667 B10R0.74 C=CC(C)COCCCC=O c58e05ccf51664bce3f8b405883be9c7 [0,2,0,0,0,0|1,0,1]=4 2668 B10R0.74 C=CC(C)COCCCCC 7ddcec3629bc4441bda3d9bbf9593506 [0,2,0,0,0,0|1,0,0]=3 2669 B10R0.74 C=CC(C)COCCCCF 5c476a0a0d003a0f75f4948587f2e494 [0,2,0,0,0,0|1,0,0]=3 2670 B10R0.74 C=CC(C)COCCCOC 98bc756cd0ddaac858719563720e050c [0,2,0,0,0,0|1,0,0]=3 2671 B10R0.74 C=CC(C)COCCCSC 4c78b07e70601bd8079c5984c023d7e0 [0,2,0,0,0,0|1,0,0]=3 2672 B10R0.74 C=CC(C)COCCOCC 1ae56cfdd624cf8e8809e93c9fe9177b [0,2,0,0,0,0|1,0,0]=3 2673 B10R0.74 C=CC(C)COCCSCC b408cc6c5ebc422066061e8c9a216c8a [0,2,0,0,0,0|1,0,0]=3 2674 B10R0.74 C=CC(C)NC/C=C/CCC 5a261817157dc158de170a4e53b78e32 [0,2,0,0,0,0|1,0,1]=4 2675 B10R0.74 C=CC(C)NC/C=C\CCC ed8fd7e773594c0dd01cdf418929c57c [0,2,0,0,0,0|1,0,1]=4 2676 B10R0.74 C=CC(C)NCC/C=C\CC 8c66f349a80d7e6dc5e155d734e2df16 [0,2,0,0,0,0|1,0,1]=4 2677 B10R0.74 C=CC(C)NCCC/C=C\C 462a050f2526a431af7d0fc509d64850 [0,2,0,0,0,0|1,0,1]=4 2678 B10R0.74 C=CC(C)NCCCC#CC 8c5192d382286dd1f1ea897c6c1cd5ff [0,2,0,0,0,0|1,0,1]=4 2679 B10R0.74 C=CC(C)NCCCCC#N 6ad78559691c259b406649c7c41628d4 [0,2,0,0,0,0|1,0,1]=4 2680 B10R0.74 C=CC(C)NCCCCC=O cef6d048ab7e8efaff00ffb7e3e90816 [0,2,0,0,0,0|1,0,1]=4 2681 B10R0.74 C=CC(C)NCCCCCC 3445ce906236e4b3053f9414e9ff0e22 [0,2,0,0,0,0|1,0,0]=3 2682 B10R0.74 C=CC(C)NCCCCCCl 1ede07f0395dc7da73f85e892001caaa [0,2,0,0,0,0|1,0,0]=3 2683 B10R0.74 C=CC(C)NCCCCCF 20aba12cd7ebf2fb36748e6fb1eee738 [0,2,0,0,0,0|1,0,0]=3 2684 B10R0.74 C=CC(C)NCCCCCO 7e848dbfd653e4cdf5936fd1d3690f27 [0,2,0,0,0,0|1,0,0]=3 2685 B10R0.74 C=CC(C)NCCCCOC 73a2da997b99927968a11f9f2944a6a1 [0,2,0,0,0,0|1,0,0]=3 2686 B10R0.74 C=CC(C)NCCCCON 98c68de1a825ad728a0fa146822e32cd [0,2,0,0,0,0|2,0,0]=4 2687 B10R0.74 C=CC(C)NCCCCSC 2c72695ba4e567636d44a80ad4ea17b5 [0,2,0,0,0,0|1,0,0]=3 2688 B10R0.74 C=CC(C)NCCCOCC 6527fc6a78635152f7f4009291894037 [0,2,0,0,0,0|1,0,0]=3 2689 B10R0.74 C=CC(C)NCCCSCC 47b3e00462a49cd013c7c77fdf286d32 [0,2,0,0,0,0|1,0,0]=3 2690 B10R0.74 C=CC(C)NCCOCCC 7cfd471308f0bee18ab79edae2e20fd2 [0,2,0,0,0,0|1,0,0]=3 2691 B10R0.74 C=CC(C)NCCOCCO bc9e5011496ca7a25682e83f7700d66e [0,2,0,0,0,0|2,0,0]=4 2692 B10R0.74 C=CC(C)NCCOCCS 635e6a716f1bbbc953c2cd70592cf753 [0,2,0,0,0,0|2,0,0]=4 2693 B10R0.74 C=CC(C)NCCOCOC 4f520c79678533ee537b8113a3eb3aa7 [0,2,0,0,0,0|2,0,0]=4 2694 B10R0.74 C=CC(C)NCCSCCO 2fef3a7da46b1365963b80e8e2e183b4 [0,2,0,0,0,0|2,0,0]=4 2695 B10R0.74 C=CC(C)NCOCCCC 704b09001420e0b4d537ec884f90067e [0,2,0,0,0,0|1,0,0]=3 2696 B10R0.74 C=CC(C)NCOCCOC c822388cbeb3d11ab8b8bb5dd0497073 [0,2,0,0,0,0|2,0,0]=4 2697 B10R0.74 C=CC(C)OC/C=C/CCC 01e597f764dcbe903758fbf381ea773c [0,2,0,0,0,0|1,0,1]=4 2698 B10R0.74 C=CC(C)OC/C=C\CCC 7da48e9437dd7761b79dbbbd91c8d2f9 [0,2,0,0,0,0|1,0,1]=4 2699 B10R0.74 C=CC(C)OCC#CCCC c482365d6860d52ecc42273ccfeff69e [0,2,0,0,0,0|1,0,1]=4 2700 B10R0.74 C=CC(C)OCC/C=C/CC 65be37dcad65e50101b5ee60f487a91d [0,2,0,0,0,0|1,0,1]=4 2701 B10R0.74 C=CC(C)OCC/C=C\CC b63aca8b2921ecdac4bc869f2a9cebc3 [0,2,0,0,0,0|1,0,1]=4 2702 B10R0.74 C=CC(C)OCCC#CCC 747e19e017d29311ee1190ca9358775f [0,2,0,0,0,0|1,0,1]=4 2703 B10R0.74 C=CC(C)OCCC/C=C/C 70afe0a41c23f9ea4183b32ac8cc13e6 [0,2,0,0,0,0|1,0,1]=4 2704 B10R0.74 C=CC(C)OCCC/C=C\C e16103cd3ef0aa4452c762b0b2518674 [0,2,0,0,0,0|1,0,1]=4 2705 B10R0.74 C=CC(C)OCCCC#CC fc2164ca377ee1e25c873e8511e0432b [0,2,0,0,0,0|1,0,1]=4 2706 B10R0.74 C=CC(C)OCCCC=CC fe3f22e7044d619a16746475bb581095 [0,2,0,0,0,0|1,0,1]=4 2707 B10R0.74 C=CC(C)OCCCCC#N cb58b2fdb98f7a7b2031c7d16a5b53f4 [0,2,0,0,0,0|1,0,1]=4 2708 B10R0.74 C=CC(C)OCCCCC=O e7726c4b2c2a240ba78d04e1ab85422b [0,2,0,0,0,0|1,0,1]=4 2709 B10R0.74 C=CC(C)OCCCCCC 3023df734bcb62c9dfa141cae5ba501c [0,2,0,0,0,0|1,0,0]=3 2710 B10R0.74 C=CC(C)OCCCCCF 4a91a050c4fa58184252df2945ea14e0 [0,2,0,0,0,0|1,0,0]=3 2711 B10R0.74 C=CC(C)OCCCCOC 7d41b2aaa6c53db9cdfa58844fd83c4d [0,2,0,0,0,0|1,0,0]=3 2712 B10R0.74 C=CC(C)OCCCCSC f8fb7330f120c966f6413c26e4dcdad5 [0,2,0,0,0,0|1,0,0]=3 2713 B10R0.74 C=CC(C)OCCCOCC 2c440513779cf001e786ad723db93a9a [0,2,0,0,0,0|1,0,0]=3 2714 B10R0.74 C=CC(C)OCCCSCC b3ddc185708c07a4f03ff8260b3c5d09 [0,2,0,0,0,0|1,0,0]=3 2715 B10R0.74 C=CC(C)OCCOCCC 33c64c08ebfbc50c32973d1005c8e087 [0,2,0,0,0,0|1,0,0]=3 2716 B10R0.74 C=CC(C)OCCOCCF 1c459005336f3d0a444bf20dae115460 [0,2,0,0,0,0|2,0,0]=4 2717 B10R0.74 C=CC(C)OCCOCCS daa8ede2211fd3ece1669bbf2d68f6e2 [0,2,0,0,0,0|2,0,0]=4 2718 B10R0.74 C=CC(C)OCCOCOC 54315d8c6d1db91be9887cac16b17018 [0,2,0,0,0,0|2,0,0]=4 2719 B10R0.74 C=CC(C)OCCSCCC 195fa0ea75e15dc0c1611f87a6ec1f7d [0,2,0,0,0,0|1,0,0]=3 2720 B10R0.74 C=CC(C)OCOCCCC 8085d3cd28c60b7b164e8b45ed8f0d7a [0,2,0,0,0,0|1,0,0]=3 2721 B10R0.74 C=CC(C)OCOCCOC d773537f6adb3369b0ab4f3c54bc44b0 [0,2,0,0,0,0|2,0,0]=4 2722 B10R0.74 C=CC(O)CNC/C=C/CC 1acb9dbb2fd63ce02451a3d67ec71d39 [0,2,0,0,0,0|0,0,1]=3 2723 B10R0.74 C=CC(O)CNCC#CCC dcf97779a0de17ad6357bce8eec92f95 [0,2,0,0,0,0|0,0,1]=3 2724 B10R0.74 C=CC(O)CNCC#CCO afe4defc796f0e4e4c7c6220eef0d863 [0,2,0,0,0,0|0,0,2]=4 2725 B10R0.74 C=CC(O)CNCCCC#N 0ee618a3c07fd658071a70e8ca9a9d97 [0,2,0,0,0,0|0,0,1]=3 2726 B10R0.74 C=CC(O)CNCCCC=O c3856377b37b4c18369391914dcbf80e [0,2,0,0,0,0|0,0,1]=3 2727 B10R0.74 C=CC(O)CNCCCCC 5dc8e3acef25251d027aa047b7f73859 [0,2,0,0,0,0|0,0,0]=2 2728 B10R0.74 C=CC(O)CNCCCCF 1aef3667783ab606395d845f03662174 [0,2,0,0,0,0|0,0,0]=2 2729 B10R0.74 C=CC(O)CNCCCCO 303a7a0a872a358fb466d1dde453de53 [0,2,0,0,0,0|0,0,0]=2 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142acafa636615ba7faeb559c04a80ba [0,2,0,0,0,0|1,0,1]=4 2742 B10R0.74 C=C[C@H](C)OCCC/C=C\C e11e2c47cbf413218c76f81962c273bb [0,2,0,0,0,0|1,0,1]=4 2743 B10R0.74 C=C[C@H](C)OCCCC#CC 8497d19d986cf746537d33c95dbe15a2 [0,2,0,0,0,0|1,0,1]=4 2744 B10R0.74 C=C[C@H](C)OCCCCC#N 58c0315683cfd1ed8a55e2c86e0fb98c [0,2,0,0,0,0|1,0,1]=4 2745 B10R0.74 C=C[C@H](C)OCCCCC=O 0edff680fc576468969f1ad5d564732d [0,2,0,0,0,0|1,0,1]=4 2746 B10R0.74 C=C[C@H](C)OCCCCCC 7e00ddfaace314cf9dddf5be814c8488 [0,2,0,0,0,0|1,0,0]=3 2747 B10R0.74 C=C[C@H](C)OCCCCCF 130435acf6e7fe522b666e39dc8daa3a [0,2,0,0,0,0|1,0,0]=3 2748 B10R0.74 C=C[C@H](C)OCCCCOC 888a697f81fba85402bdeb1e1d0731bf [0,2,0,0,0,0|1,0,0]=3 2749 B10R0.74 C=C[C@H](C)OCCCOCC c16cfee7d87501cc1a50a75dcccc40e9 [0,2,0,0,0,0|1,0,0]=3 2750 B10R0.74 C=C[C@H](C)OCCCSCC dae9ea759a1517e2c68823ed0ef07e52 [0,2,0,0,0,0|1,0,0]=3 2751 B10R0.74 C=C[C@H](C)OCCOCCC b9fc4630fc3450d99f7c2fa0d8082a00 [0,2,0,0,0,0|1,0,0]=3 2752 B10R0.74 C=C[C@H](C)OCCOCOC 69d8a02651592037c242061cf394644f [0,2,0,0,0,0|2,0,0]=4 2753 B10R0.74 C=C[C@H](C)OCOCCCC 4e55cca418ceb6b828a1a4fe5d5f3ad3 [0,2,0,0,0,0|1,0,0]=3 2754 B10R0.74 C=C[C@H](C)OCOCCOC c7f5f06420609c7dacdc059911777e77 [0,2,0,0,0,0|2,0,0]=4 2755 B10R0.74 CC(C=O)NCCCCCCl f8134480e523082eedc150b03ec173a8 [0,2,0,0,0,0|2,0,0]=4 2756 B10R0.74 CC(C=O)NCCCCCO 3856e550ed529a93bb84fb423c32618f [0,2,0,0,0,0|2,0,0]=4 2757 B10R0.74 CC(C=O)OCCCCCF 2b3ca3f818c970881a9fa9b1a2f765cf [0,2,0,0,0,0|2,0,0]=4 2758 B10R0.74 CCC(O)CNCCCCCl cad622522a29c771db0b8f05f1514ce8 [0,2,0,0,0,0|0,0,2]=4 2759 B10R0.74 CCC(O)CNCCCCF 3a6e8e2c2e6c7a8cd245fb4a795e480e [0,2,0,0,0,0|0,0,2]=4 2760 B10R0.74 CCC(O)CNCCCCO e3b3fdcacb3d98922ac18db83f1a93d7 [0,2,0,0,0,0|0,0,2]=4 2761 B10R0.74 CCC(O)CNCCCCS d7e0bfbe339d2a1bce5a10b0771ff11f [0,2,0,0,0,0|0,0,2]=4 2762 B10R0.74 CCC(O)CNCCCOC 7e9f5f71e036fe1ce91f3bc6841fa580 [0,2,0,0,0,0|0,0,2]=4 2763 B10R0.74 CCC(O)CNCCCSC 446b00822bb84e67f419db49dbaeac33 [0,2,0,0,0,0|0,0,2]=4 2764 B10R0.74 CCCCCCNC(C)C=O b976c3b07f1bcd7d7bf4ea0f7dda9d2e [0,2,0,0,0,0|2,0,0]=4 2765 B10R0.74 CCCCCCN[C@H](C)C=O c1f3002178c0951e2fc282654b4ab5ac [0,2,0,0,0,0|2,0,0]=4 2766 B10R0.74 CCCCCCOC(C)C=O 53cdcf5ad06947d7299adccaa193f0cc [0,2,0,0,0,0|2,0,0]=4 2767 B10R0.74 CCCCCCO[C@H](C)C=O 6de2ee791cd08619fd7f79912e5eccbb [0,2,0,0,0,0|2,0,0]=4 2768 B10R0.74 CCCCCNCC(O)CC d6191ad3bd9358697a26014dd3c35d2e [0,2,0,0,0,0|0,0,2]=4 2769 B10R0.74 CCCCCNCC(O)CF 2294d811f3ddee0eb17dce26521c7bc6 [0,2,0,0,0,0|1,0,1]=4 2770 B10R0.74 CCCCCNCC(O)CO d3519d9a489173acf72b75770f9d71db [0,2,0,0,0,0|1,0,1]=4 2771 B10R0.74 CCCCCNC[C@@H](O)CO 89026120ff28d3dbf2a83bce3cad26c0 [0,2,0,0,0,0|1,0,1]=4 2772 B10R0.74 CCCCCNC[C@H](O)CC 141cc5eeaba79c4f9687c521abb8108f [0,2,0,0,0,0|0,0,2]=4 2773 B10R0.74 CCCCCNC[C@H](O)CO 015dca554ce841a00aec8917d717a402 [0,2,0,0,0,0|1,0,1]=4 2774 B10R0.74 CCCCCOCC(O)CO a1b36fdc5e1bf46799aa0665344b2cd4 [0,2,0,0,0,0|1,0,1]=4 2775 B10R0.74 CCCCCOC[C@@H](O)CO dbec6fbfc37ac25dc27fe74f36f0fb6f [0,2,0,0,0,0|1,0,1]=4 2776 B10R0.74 CCCCCOC[C@H](O)CO b973cba7b2684874077d1ef653495bea [0,2,0,0,0,0|1,0,1]=4 2777 B10R0.74 CCCCNCCC(O)CO eefcff15428a61b2cb99ab02c211b5b8 [0,2,0,0,0,0|1,0,1]=4 2778 B10R0.74 CCCCOCOC(C)C=O 8739f92a6eba1640914b5953928ea9bd [0,2,0,0,0,0|2,0,0]=4 2779 B10R0.74 CCCOCCNC(C)C=O 016473779d22f611b61bc2b67d2cef26 [0,2,0,0,0,0|2,0,0]=4 2780 B10R0.74 CCCOCCN[C@H](C)C=O 6dbf3c96500876723f9973717eb7d228 [0,2,0,0,0,0|2,0,0]=4 2781 B10R0.74 CCCOCCOC(C)C=O f33caadbe3f1a4251c29c097bf77fcd3 [0,2,0,0,0,0|2,0,0]=4 2782 B10R0.74 CCCOCCO[C@H](C)C=O 6ddd2d293a551a15dbba10b50984f61c [0,2,0,0,0,0|2,0,0]=4 2783 B10R0.74 CCCSCCOC(C)C=O 52f86296372a93c2c934f7bd24bc4a1a [0,2,0,0,0,0|2,0,0]=4 2784 B10R0.74 CCCSCCO[C@H](C)C=O 453a226a998b542d76bb9739f6b6e9c5 [0,2,0,0,0,0|2,0,0]=4 2785 B10R0.74 CCOCCCNC(C)C=O 9a227574e197103699175bd8fd2d5302 [0,2,0,0,0,0|2,0,0]=4 2786 B10R0.74 CCOCCCN[C@H](C)C=O 67d743f58c65012e40ac9ef84e5c0383 [0,2,0,0,0,0|2,0,0]=4 2787 B10R0.74 CCOCCCOC(C)C=O 69d86db7cc48ff091e8250421a0bb056 [0,2,0,0,0,0|2,0,0]=4 2788 B10R0.74 CCOCCCO[C@H](C)C=O 935e6e1125bdb67aa781937722ba966f [0,2,0,0,0,0|2,0,0]=4 2789 B10R0.74 CCOCCNCC(O)CC a835e1769f1051b73e609aeb92c8e06d [0,2,0,0,0,0|0,0,2]=4 2790 B10R0.74 CCOCCNCC(O)CF 44b3eb3f75d68de02c948d90f2ee35ca [0,2,0,0,0,0|1,0,1]=4 2791 B10R0.74 CCOCCNCC(O)CO e70c3e9ffb10db1ff94bf46b76b237fb [0,2,0,0,0,0|1,0,1]=4 2792 B10R0.74 CCOCCNC[C@@H](O)CO 1e739311f33f43860942488bc24e7c17 [0,2,0,0,0,0|1,0,1]=4 2793 B10R0.74 CCOCCNC[C@H](O)CC 3ab327c8eb0a2725a3aac99f18371f0a [0,2,0,0,0,0|0,0,2]=4 2794 B10R0.74 CCOCCNC[C@H](O)CO 32666911040fc1f0101e0a64e5e1792b [0,2,0,0,0,0|1,0,1]=4 2795 B10R0.74 CCOCCOCC(O)CO 46c41fcee1241808c212839b16300df2 [0,2,0,0,0,0|1,0,1]=4 2796 B10R0.74 CCOCCOC[C@@H](O)CO 24862ef83876b8d3f22fceee7c3ababb [0,2,0,0,0,0|1,0,1]=4 2797 B10R0.74 CCOCCOC[C@H](O)CO a582032bc745390df69b09d6c57b34e4 [0,2,0,0,0,0|1,0,1]=4 2798 B10R0.74 CCOCNCCC(O)CO aea9bdbe63c233ca3dd92c8c00d317cb [0,2,0,0,0,0|1,0,1]=4 2799 B10R0.74 CCSCCCOC(C)C=O 7ed644853d14a101f25fc6804bb77766 [0,2,0,0,0,0|2,0,0]=4 2800 B10R0.74 CCSCCCO[C@H](C)C=O 3c89135df9d0875f9cb650f25b8cd2af [0,2,0,0,0,0|2,0,0]=4 2801 B10R0.74 CCSCCNCC(O)CC b3e7e199cdbfb3b0ade738310b58caf4 [0,2,0,0,0,0|0,0,2]=4 2802 B10R0.74 CCSCCNCC(O)CF 7fb3dfc4b44dc442cc88b6b2b368820a [0,2,0,0,0,0|1,0,1]=4 2803 B10R0.74 CCSCCNCC(O)CO 330a28500034121f0d97a8cb2e0ff7b6 [0,2,0,0,0,0|1,0,1]=4 2804 B10R0.74 CCSCCNC[C@@H](O)CO 7f3fcdb5c0a59d07ede2e60394ff3e5e [0,2,0,0,0,0|1,0,1]=4 2805 B10R0.74 CCSCCNC[C@H](O)CC 96de077d5d98f82ff7668ca01fe01895 [0,2,0,0,0,0|0,0,2]=4 2806 B10R0.74 CCSCCNC[C@H](O)CO 46e5f77f0221dc10975111e466132438 [0,2,0,0,0,0|1,0,1]=4 2807 B10R0.74 CCSCCOCC(O)CO 09bcac7b572f9049f293836551c32636 [0,2,0,0,0,0|1,0,1]=4 2808 B10R0.74 CCSCCOC[C@@H](O)CO 533dbd49ca09d835324abf067bc8319d [0,2,0,0,0,0|1,0,1]=4 2809 B10R0.74 CCSCCOC[C@H](O)CO 4fb16f03f05216fc71f249a7598d3aeb [0,2,0,0,0,0|1,0,1]=4 2810 B10R0.74 CC[C@@H](O)CNCCCCF 99d76ba34c20eaa3569e7040d9b91d3b [0,2,0,0,0,0|0,0,2]=4 2811 B10R0.74 CC[C@@H](O)CNCCCCO 0356141b1b52f4b4c42fd80b40e2b607 [0,2,0,0,0,0|0,0,2]=4 2812 B10R0.74 CC[C@@H](O)CNCCCOC 6917ce6c36ed3ba1d71260115cca206a [0,2,0,0,0,0|0,0,2]=4 2813 B10R0.74 CC[C@@H](O)CNCCCSC b7394c0094a82fed9c10e59ecca9e218 [0,2,0,0,0,0|0,0,2]=4 2814 B10R0.74 COCCCCNC(C)C=O d941d65099da9fa6f8d17908db6ac6c4 [0,2,0,0,0,0|2,0,0]=4 2815 B10R0.74 COCCCCN[C@H](C)C=O 39dcac2d87cc18538bea182f74ba870d [0,2,0,0,0,0|2,0,0]=4 2816 B10R0.74 COCCCCOC(C)C=O 4472addcbfbb64f6c3290a31dc720dc7 [0,2,0,0,0,0|2,0,0]=4 2817 B10R0.74 COCCCCO[C@H](C)C=O ba436cf4cebeb9957af0dc7ed9f7343b [0,2,0,0,0,0|2,0,0]=4 2818 B10R0.74 COCCCNCC(O)CF e4b1692faf43c436a869f4244418c95f [0,2,0,0,0,0|1,0,1]=4 2819 B10R0.74 COCCCNCC(O)CO 3a8cf74996c5d026dcf6a20ae0b3cff2 [0,2,0,0,0,0|1,0,1]=4 2820 B10R0.74 COCCCNC[C@@H](O)CO c55a2e0e676eed31a7e5158e1357bee8 [0,2,0,0,0,0|1,0,1]=4 2821 B10R0.74 COCCCNC[C@H](O)CO 9626b2f3b7325b627ad346b83f356a78 [0,2,0,0,0,0|1,0,1]=4 2822 B10R0.74 COCCCOCC(O)CO c8809ce56bdc72209d125afc179ab6e4 [0,2,0,0,0,0|1,0,1]=4 2823 B10R0.74 COCCCOC[C@@H](O)CO 61519066e619836ffb978589fdccfecd [0,2,0,0,0,0|1,0,1]=4 2824 B10R0.74 COCCCOC[C@H](O)CO 4ff87e29bc9ddd3759eef0a1ba31edfa [0,2,0,0,0,0|1,0,1]=4 2825 B10R0.74 COCCNCCC(O)CO 5b3ad1f7486a6f852ca50eea648aad83 [0,2,0,0,0,0|1,0,1]=4 2826 B10R0.74 CSCCCCNC(C)C=O 3680c10caf7b80bfd36a9cbd18db996c [0,2,0,0,0,0|2,0,0]=4 2827 B10R0.74 CSCCCCN[C@H](C)C=O 14f8008ca9b25fb706f70cedddc5afee [0,2,0,0,0,0|2,0,0]=4 2828 B10R0.74 CSCCCCOC(C)C=O 7eacc6aaf6c7e2b9c260a33bc48e2d39 [0,2,0,0,0,0|2,0,0]=4 2829 B10R0.74 CSCCCCO[C@H](C)C=O 51015721b513c150ca762d318178d69f [0,2,0,0,0,0|2,0,0]=4 2830 B10R0.74 CSCCCNCC(O)CF 8c732af997cb6ec389adb0e256fc4c2f [0,2,0,0,0,0|1,0,1]=4 2831 B10R0.74 CSCCCNCC(O)CO dd3240427216492afc42a1d2ace02c9f [0,2,0,0,0,0|1,0,1]=4 2832 B10R0.74 CSCCCNC[C@@H](O)CO 10ce1b29b1e170213776c5c97de1b2bc [0,2,0,0,0,0|1,0,1]=4 2833 B10R0.74 CSCCCNC[C@H](O)CO 2783b19fa1f6dcfbcafbb57679c7517a [0,2,0,0,0,0|1,0,1]=4 2834 B10R0.74 CSCCCOCC(O)CO d49bb0a33844ad74ab74a2d19f10a7f8 [0,2,0,0,0,0|1,0,1]=4 2835 B10R0.74 CSCCCOC[C@@H](O)CO 4b6d8e5c819bfeb1813a156a423811f8 [0,2,0,0,0,0|1,0,1]=4 2836 B10R0.74 CSCCCOC[C@H](O)CO a5050d01beb5f1c3c82967d2fe070511 [0,2,0,0,0,0|1,0,1]=4 2837 B10R0.74 CSCCNCCC(O)CO 9854c72412633c6b5d5529179afd0808 [0,2,0,0,0,0|1,0,1]=4 2838 B10R0.74 C[C@H](C=O)NCCCCCCl 7226a20737d2688f6ab44f08a12ca6b5 [0,2,0,0,0,0|2,0,0]=4 2839 B10R0.74 C[C@H](C=O)NCCCCCO 07033739ede992cb3633639e14b04065 [0,2,0,0,0,0|2,0,0]=4 2840 B10R0.74 OC(CF)CNCCCCCl 5b1bdb43567d7e6e414666ae19d42119 [0,2,0,0,0,0|1,0,1]=4 2841 B10R0.74 OC(CF)CNCCCCS b74de6c45d2d4fb098841dcd45caa41c [0,2,0,0,0,0|1,0,1]=4 2842 B10R0.74 OCC(O)CCNCCCF 67d31a630ac7e50c9075ee9b231ec7c3 [0,2,0,0,0,0|1,0,1]=4 2843 B10R0.74 OCC(O)CCNCCCS b83a21b24743559976f86ce10ae3bb04 [0,2,0,0,0,0|1,0,1]=4 2844 B10R0.74 OCC(O)CNCCCCCl 78ab99adef3a433ffb2967e092dafb12 [0,2,0,0,0,0|1,0,1]=4 2845 B10R0.74 OCC(O)CNCCCCF 538745f804e03db8ccf5feb3ae53e61c [0,2,0,0,0,0|1,0,1]=4 2846 B10R0.74 OCC(O)CNCCCCS 6a4c29267d7d250be7bdc956342e91ac [0,2,0,0,0,0|1,0,1]=4 2847 B10R0.74 OCC(O)COCCCCF 1a87b6c03f2375cc52cfcdb8911ec940 [0,2,0,0,0,0|1,0,1]=4 2848 B10R0.74 OCC(O)COCCCCS 6e84832c71df82e7d9688a9c0a9f3046 [0,2,0,0,0,0|1,0,1]=4 2849 B10R0.74 OCCCCNCC(O)CF 09e8828635a83a3859b47932e039aeed [0,2,0,0,0,0|1,0,1]=4 2850 B10R0.74 OCCCCNCC(O)CO 12ba38b18bfa650fde7ba376707b15f9 [0,2,0,0,0,0|1,0,1]=4 2851 B10R0.74 OCCCCNC[C@@H](O)CO 503d8d5d71074f3b310e0049f8487f0a [0,2,0,0,0,0|1,0,1]=4 2852 B10R0.74 OCCCCNC[C@H](O)CO 41aa2e96024bdf2940b9772185295269 [0,2,0,0,0,0|1,0,1]=4 2853 B10R0.74 OCCCNCCC(O)CO 8c03ba4f8a17adf0c85dc5c1874cfdde [0,2,0,0,0,0|1,0,1]=4 2854 B10R0.74 OC[C@@H](O)CNCCCCCl c3beaf7cb7103289f07a48e7a88e566c [0,2,0,0,0,0|1,0,1]=4 2855 B10R0.74 OC[C@@H](O)CNCCCCF 95db96484dd66fcda0c78d0d06535498 [0,2,0,0,0,0|1,0,1]=4 2856 B10R0.74 OC[C@@H](O)CNCCCCS 7838f2683656161928f07f8dfa338018 [0,2,0,0,0,0|1,0,1]=4 2857 B10R0.74 OC[C@@H](O)COCCCCF c2f564c56364c3deba1b826386e47ade [0,2,0,0,0,0|1,0,1]=4 2858 B10R0.74 OC[C@@H](O)COCCCCS bdba01539c075dacc8dddbe8b449738e [0,2,0,0,0,0|1,0,1]=4 2859 B10R0.74 OC[C@H](O)CNCCCCCl 037dc8d9e00c8dfbad6fb09d5e4053e8 [0,2,0,0,0,0|1,0,1]=4 2860 B10R0.74 OC[C@H](O)CNCCCCF 7a409e3989682d7aab585e9806cb5294 [0,2,0,0,0,0|1,0,1]=4 2861 B10R0.74 OC[C@H](O)CNCCCCS cb043578d529249c8b9cb6ab8e86e67f [0,2,0,0,0,0|1,0,1]=4 2862 B10R0.74 OC[C@H](O)COCCCCF 2d64be3a6097096f7b72bc9e0127ccdf [0,2,0,0,0,0|1,0,1]=4 2863 B10R0.74 OC[C@H](O)COCCCCS 7348905abbfe8caa1305aa7b7e028fa3 [0,2,0,0,0,0|1,0,1]=4 2864 B10R0.75 C=C(Br)C(=O)NCCCCC 411c4c8903b3fa102e4208e7b57d5a8a [0,2,0,0,0,0|0,0,2]=4 2865 B10R0.75 C=C(C)C(=O)NCCCCC 0d395da954277cf73f296326067ead17 [0,2,0,0,0,0|0,0,2]=4 2866 B10R0.75 C=C(Cl)C(=O)NCCCCC 1710c21e76a8c29d969adb9b2c6f0f6f [0,2,0,0,0,0|0,0,2]=4 2867 B10R0.75 C=C(F)C(=O)NCCCCC 66e95918fa63b8f2f47c91a2c6da8fef [0,2,0,0,0,0|0,0,2]=4 2868 B10R0.75 C=C(I)[C@H](C)CNCCCC 6f207e83924b6f9caa425d488d38df0d [0,2,0,0,0,0|1,0,0]=3 2869 B10R0.75 C=C(I)[C@H](C)CNCCCCl bbe7edd51e24efba6897f8b2841bb29e [0,2,0,0,0,0|2,0,0]=4 2870 B10R0.75 C=C(I)[C@H](C)CNCCCO 70eaddeaec8bdf0e2627522d65f406cb [0,2,0,0,0,0|2,0,0]=4 2871 B10R0.75 C=C(I)[C@H](C)CNCCOC 17933cd9015fff3d075b8f8f99209c12 [0,2,0,0,0,0|2,0,0]=4 2872 B10R0.75 C=C(I)[C@H](C)CNCCSC c8899ae6f287147fe8913695e638c186 [0,2,0,0,0,0|2,0,0]=4 2873 B10R0.75 C=C(I)[C@H](C)COCCCC 440d0e952ca85fda41eefbc29027c20f [0,2,0,0,0,0|1,0,0]=3 2874 B10R0.75 C=C(I)[C@H](C)COCCCF 53ddc1a78e2fdad9733cd8358bff9e0f [0,2,0,0,0,0|2,0,0]=4 2875 B10R0.75 C=C(I)[C@H](C)COCCCS bfefe398bb7ee3c59d66c1c93a228339 [0,2,0,0,0,0|2,0,0]=4 2876 B10R0.75 C=C(I)[C@H](C)COCCOC 1e95ad1e83540ef2a4c7cc6581c0dae7 [0,2,0,0,0,0|2,0,0]=4 2877 B10R0.75 C=C(I)[C@H](C)COCCSC ce0cce52f6c66b54e9943ce3c0b31076 [0,2,0,0,0,0|2,0,0]=4 2878 B10R0.75 CCCCCNC(C)C(=O)C 73ac781cf588cfb07624e7989850afa4 [0,2,0,0,0,0|1,0,1]=4 2879 B10R0.75 CCCCCNC(C)C(=O)N 03e9b662f5ad8e0b6a0436a2d3c53ba1 [0,2,0,0,0,0|2,0,0]=4 2880 B10R0.75 CCCCCNC(C)C(=O)O 29f988631a687805f3237416e2d2a02d [0,2,0,0,0,0|2,0,0]=4 2881 B10R0.75 CCCCCNC(O)C(=O)O 11dd94f84b7f3a6e3b26c0bb3600ff21 [0,2,0,0,0,0|1,0,0]=3 2882 B10R0.75 CCCCCN[C@@H](C)C(=O)N 8567d2dba1431210118fb435b204fec8 [0,2,0,0,0,0|2,0,0]=4 2883 B10R0.75 CCCCCN[C@@H](C)C(=O)O ac68191807acbe842f2911dfc8627408 [0,2,0,0,0,0|2,0,0]=4 2884 B10R0.75 CCCCCN[C@H](C)C(=O)N 1decc19817fee4613ee0cac492f2ff64 [0,2,0,0,0,0|2,0,0]=4 2885 B10R0.75 CCCCCN[C@H](C)C(=O)O cf05f4ee4299fbdf1ec78d0468c5276e [0,2,0,0,0,0|2,0,0]=4 2886 B10R0.75 CCCCCOC(C)C(=O)C ef6c55e18179136cda5b21537b82a891 [0,2,0,0,0,0|1,0,1]=4 2887 B10R0.75 CCCCCOC(C)C(=O)N 2052566ee2e5a58bbcc69cffbc985a74 [0,2,0,0,0,0|2,0,0]=4 2888 B10R0.75 CCCCCOC(C)C(=O)O d9a0cb918530269c86b9f8f93a0b386e [0,2,0,0,0,0|2,0,0]=4 2889 B10R0.75 CCCCCOC(F)C(=O)N 27aecf7e27d511ba56dbadb469dd35a8 [0,2,0,0,0,0|2,0,0]=4 2890 B10R0.75 CCCCCOC(F)C(=O)O 2ec572c2e9f4242a425c59d79225beda [0,2,0,0,0,0|2,0,0]=4 2891 B10R0.75 CCCCCO[C@@H](C)C(=O)N e39c15bf8fe0533a164779a56832111d [0,2,0,0,0,0|2,0,0]=4 2892 B10R0.75 CCCCCO[C@@H](C)C(=O)O 699cec09f5a70bc50bc69a7af1564b33 [0,2,0,0,0,0|2,0,0]=4 2893 B10R0.75 CCCCCO[C@@H](F)C(=O)O 79f8f0368673871b87fc7c14e08ffcf9 [0,2,0,0,0,0|2,0,0]=4 2894 B10R0.75 CCCCCO[C@H](C)C(=O)N 7b6c5897aa3c2bbffd958cb2f9bf9014 [0,2,0,0,0,0|2,0,0]=4 2895 B10R0.75 CCCCCO[C@H](C)C(=O)O 1003b54a4dca2cab07f6967f17d22592 [0,2,0,0,0,0|2,0,0]=4 2896 B10R0.75 CCCCNCC(C)C(=O)O 02eff386380973d7332643c2a188b57a [0,2,0,0,0,0|2,0,0]=4 2897 B10R0.75 CCCCNCC(F)C(=O)O fbfefce8391ae6e8024e364aa27530c8 [0,2,0,0,0,0|2,0,0]=4 2898 B10R0.75 CCCCNCC(O)C(=O)O da2c3a8a69842ffe785863280b660640 [0,2,0,0,0,0|1,0,0]=3 2899 B10R0.75 CCCCNCC(O)C(C)C 2d692f157f7ed15045b29d6c1f98b249 [0,2,0,0,0,0|0,0,2]=4 2900 B10R0.75 CCCCNCC(O)C(F)F d2a9704560ecbea81d4a877f7520c2ec [0,2,0,0,0,0|1,0,1]=4 2901 B10R0.75 CCCCNC[C@@H](C)C(=O)O d1df5de4a71ab6f7e8e989d038fad739 [0,2,0,0,0,0|2,0,0]=4 2902 B10R0.75 CCCCNC[C@@H](O)C(=O)O 5b66b3027d8388c3490256190a312a34 [0,2,0,0,0,0|1,0,0]=3 2903 B10R0.75 CCCCNC[C@H](C)C(=O)O 65f054a415ca163ea28e66b9bc953c69 [0,2,0,0,0,0|2,0,0]=4 2904 B10R0.75 CCCCNC[C@H](O)C(=O)O 00525c3b8f131b1755fbc91245f8f510 [0,2,0,0,0,0|1,0,0]=3 2905 B10R0.75 CCCCOCC(C)C(=O)C 1e7d6fb7fe33e71522227b4c1fe48840 [0,2,0,0,0,0|1,0,1]=4 2906 B10R0.75 CCCCOCC(C)C(=O)O baf7c440c6a2420089b93e97589398f3 [0,2,0,0,0,0|2,0,0]=4 2907 B10R0.75 CCCCOC[C@@H](C)C(=O)O 5671fe1dae947507bb3c02b9404035ae [0,2,0,0,0,0|2,0,0]=4 2908 B10R0.75 CCCCOC[C@H](C)C(=O)O f7972fdad85ef578e0dc2f749638e6a4 [0,2,0,0,0,0|2,0,0]=4 2909 B10R0.75 CCCNCCC(F)C(=O)O 2a2568276e5eb43fc895e985846ab1ec [0,2,0,0,0,0|2,0,0]=4 2910 B10R0.75 CCCNCCC(O)C(=O)O 08214f6e444446f1f413bf6b23acc60d [0,2,0,0,0,0|1,0,0]=3 2911 B10R0.75 CCCNCC[C@H](O)C(=O)O 74498b599e1e0c5604c0b65ab1868257 [0,2,0,0,0,0|1,0,0]=3 2912 B10R0.75 CCOCCNC(O)C(=O)O 38dd7188acea30de6692252725150e10 [0,2,0,0,0,0|2,0,0]=4 2913 B10R0.75 CCOCNCC(O)C(=O)O 5f0630e55eaa7b4ce45d6fa2e277b78d [0,2,0,0,0,0|2,0,0]=4 2914 B10R0.75 CCOCNC[C@@H](O)C(=O)O 6b2373306cf6ec10a41a36fc09caaf8e [0,2,0,0,0,0|2,0,0]=4 2915 B10R0.75 CCOCNC[C@H](O)C(=O)O 3353e5de857840de20dd316a81a922c4 [0,2,0,0,0,0|2,0,0]=4 2916 B10R0.75 CCSCCNC(O)C(=O)O 358234fc8c70e56614ee6a4f51e01c58 [0,2,0,0,0,0|2,0,0]=4 2917 B10R0.75 COCCCNC(O)C(=O)O 399472a0ab952b22b61cd89d15b1c1c8 [0,2,0,0,0,0|2,0,0]=4 2918 B10R0.75 COCCNCC(O)C(=O)O a6d7f42559d2c6aafa09335efba67206 [0,2,0,0,0,0|2,0,0]=4 2919 B10R0.75 COCCNC[C@@H](O)C(=O)O a1813da0bd402df0a3edadf2e6451eb4 [0,2,0,0,0,0|2,0,0]=4 2920 B10R0.75 COCCNC[C@H](O)C(=O)O 87c45e4a565c347f52854e1c4c564280 [0,2,0,0,0,0|2,0,0]=4 2921 B10R0.75 COCNCCC(O)C(=O)O a1afc468761e58be1bd2714c9154df7e [0,2,0,0,0,0|2,0,0]=4 2922 B10R0.75 COCNCC[C@H](O)C(=O)O 720f3b9c4633a643c6b3293d0b27ec7d [0,2,0,0,0,0|2,0,0]=4 2923 B10R0.75 CSCCCNC(O)C(=O)O eef77495778746d208ec7c895aa071b3 [0,2,0,0,0,0|2,0,0]=4 2924 B10R0.75 CSCCNCC(O)C(=O)O 9ed742d19da34bffcea9458c23d1f19a [0,2,0,0,0,0|2,0,0]=4 2925 B10R0.75 CSCCNC[C@@H](O)C(=O)O 22accb15fda5b43e9f97bf10b28f7e33 [0,2,0,0,0,0|2,0,0]=4 2926 B10R0.75 CSCCNC[C@H](O)C(=O)O 760f575f2ab7e5c6ebe81c8999e52fa6 [0,2,0,0,0,0|2,0,0]=4 2927 B10R0.75 CSCNCCC(O)C(=O)O 69a7fdd405172e4d5591c15359ec8228 [0,2,0,0,0,0|2,0,0]=4 2928 B10R0.75 CSCNCC[C@H](O)C(=O)O 743924326ec47e16033d94ae95e0cadb [0,2,0,0,0,0|2,0,0]=4 2929 B10R0.75 O=C(O)C(O)CCNCCF 4eb0444245ea8711907e9cdaf00db0c3 [0,2,0,0,0,0|2,0,0]=4 2930 B10R0.75 O=C(O)C(O)CCNCCO 0952715bb656ef532bbecdab0d049b07 [0,2,0,0,0,0|2,0,0]=4 2931 B10R0.75 O=C(O)C(O)CCNCCS 93c36a2dc59fa90922b20f7d6fbf0ea8 [0,2,0,0,0,0|2,0,0]=4 2932 B10R0.75 O=C(O)C(O)CNCCCCl 86d7e8d3961ebb1ffff2964d1772bd29 [0,2,0,0,0,0|2,0,0]=4 2933 B10R0.75 O=C(O)C(O)CNCCCF 1e58e7140990d6ee8017d30500a489fc [0,2,0,0,0,0|2,0,0]=4 2934 B10R0.75 O=C(O)C(O)CNCCCO 92b6e20acc84dc533dc1e855781bebab [0,2,0,0,0,0|2,0,0]=4 2935 B10R0.75 O=C(O)C(O)CNCCCS 97cbab7ccd7500f5a7839d1ba50310ea [0,2,0,0,0,0|2,0,0]=4 2936 B10R0.75 O=C(O)C(O)NCCCCF a0563fa24d766451d7c8fc60ccc8f954 [0,2,0,0,0,0|2,0,0]=4 2937 B10R0.75 O=C(O)C(O)NCCCCO 7110ba7b7e3eb0eb4f8d0bf7331edb9e [0,2,0,0,0,0|2,0,0]=4 2938 B10R0.75 O=C(O)[C@@H](O)CCNCCF e50bd41a53efd9c0ab24c17df2012f7f [0,2,0,0,0,0|2,0,0]=4 2939 B10R0.75 O=C(O)[C@@H](O)CCNCCO 10b541f576ed1c87d335faf8a6b596b0 [0,2,0,0,0,0|2,0,0]=4 2940 B10R0.75 O=C(O)[C@@H](O)CCNCCS 3c3c7040da611de8eafc6903b31a0bf3 [0,2,0,0,0,0|2,0,0]=4 2941 B10R0.75 O=C(O)[C@@H](O)CNCCCCl f128c0c5fa5a2be7a3ae81211c775d1f [0,2,0,0,0,0|2,0,0]=4 2942 B10R0.75 O=C(O)[C@@H](O)CNCCCF 2c7e1b555185bedc525cdbd0c21f229e [0,2,0,0,0,0|2,0,0]=4 2943 B10R0.75 O=C(O)[C@@H](O)CNCCCO 0909269fe45f5137d6876ff98e19d727 [0,2,0,0,0,0|2,0,0]=4 2944 B10R0.75 O=C(O)[C@@H](O)CNCCCS 1f4cf1497dfea99a4a0221cefee37a86 [0,2,0,0,0,0|2,0,0]=4 2945 B10R0.75 O=C(O)[C@H](O)CNCCCF bf00b75790ea63119fc32841cac21ae2 [0,2,0,0,0,0|2,0,0]=4 2946 B10R0.75 O=C(O)[C@H](O)CNCCCO 13b6a75e1d8201592c2b3cd65e45cd45 [0,2,0,0,0,0|2,0,0]=4 2947 B10R0.75 O=C(O)[C@H](O)CNCCCS 9a349ef4aaa19c39cd57ddd5f09fc89f [0,2,0,0,0,0|2,0,0]=4 2948 B10R0.86 C=CC(NCCCC)C(=O)O da5926850cba2bee635639e54e439153 [0,2,0,0,0,0|1,0,0]=3 2949 B10R0.86 C=CC(NCCCF)C(=O)O 51250c26920c37e19d6db9fdf21d5555 [0,2,0,0,0,0|2,0,0]=4 2950 B10R0.86 C=CC(NCCCO)C(=O)O 117c2bb4f3915ab410fc611a0bddb666 [0,2,0,0,0,0|2,0,0]=4 2951 B10R0.86 C=CC(NCCCS)C(=O)O b39897e3844a0027f8c1eac3ae4435de [0,2,0,0,0,0|2,0,0]=4 2952 B10R0.86 C=CC(NCCOC)C(=O)O b602ccac4aba7532fa7968bd72e483ed [0,2,0,0,0,0|2,0,0]=4 2953 B10R0.86 C=CC(NCCSC)C(=O)O 6e8610819c706307089a11f8320922e2 [0,2,0,0,0,0|2,0,0]=4 2954 B10R0.86 C=CC(NCOCC)C(=O)O 2fc0b3357861e2123ce0aec0433ff548 [0,2,0,0,0,0|2,0,0]=4 2955 B10R0.86 C=CC(OCCCC)C(C)C 14ae3d4dc4691c95795a9444d42ea360 [0,2,0,0,0,0|2,0,0]=4 2956 B10R0.86 C=C[C@H](NCCCC)C(=O)O 4684c45a6d2cd39abe7f6a2f3997e9b6 [0,2,0,0,0,0|1,0,0]=3 2957 B10R0.86 C=C[C@H](NCCCF)C(=O)O 593d1b1ceaac697d4330d390ed134835 [0,2,0,0,0,0|2,0,0]=4 2958 B10R0.86 C=C[C@H](NCCCO)C(=O)O 79975784f43689451de0cd9dab4bd91a [0,2,0,0,0,0|2,0,0]=4 2959 B10R0.86 C=C[C@H](NCCCS)C(=O)O 1ad9b403ed1a79a58a80e6ebc64baec3 [0,2,0,0,0,0|2,0,0]=4 2960 B10R0.86 C=C[C@H](NCCOC)C(=O)O f2b5e37784686984250044ec056419c1 [0,2,0,0,0,0|2,0,0]=4 2961 B10R0.86 C=C[C@H](NCCSC)C(=O)O 0c9619201baee6ff9d7b6e26bf246c51 [0,2,0,0,0,0|2,0,0]=4 2962 B10R0.86 C=C[C@H](NCOCC)C(=O)O e536fcfc1420f3b7c3501f1d9aaba8f5 [0,2,0,0,0,0|2,0,0]=4 2963 B10R0.86 CCCCNC(CO)C(=O)N a5160e20a1805aea9eeaab1421445f6f [0,2,0,0,0,0|2,0,0]=4 2964 B10R0.86 CCCCNC(CO)C(=O)O 6177fbb975204d2fe26714ff8f3c0306 [0,2,0,0,0,0|2,0,0]=4 2965 B10R0.86 CCCCN[C@@H](CO)C(=O)N 24175b476e38c9daba2ce36a55ab0497 [0,2,0,0,0,0|2,0,0]=4 2966 B10R0.86 CCCCN[C@@H](CO)C(=O)O 75af49424cb2a37a11371a8cdf207183 [0,2,0,0,0,0|2,0,0]=4 2967 B10R0.86 CCCCN[C@H](CO)C(=O)O 32ea0f4744c564e578bb7b59edb125f9 [0,2,0,0,0,0|2,0,0]=4 2968 B10R0.86 CCCNC[C@H](CO)C(=O)O 2767c9bde17c345993aaa281729aa2cf [0,2,0,0,0,0|2,0,0]=4 2969 B10R0.86 CCNCCC(OC)C(=O)O bea500aceafbd349561c5c5c88889533 [0,2,0,0,0,0|2,0,0]=4 2970 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [1,0,0,1,0,0|2,0,0]=4 2971 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [1,0,0,1,0,0|1,0,0]=3 2972 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [1,0,0,1,0,0|2,0,0]=4 2973 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [1,0,0,1,0,0|2,0,0]=4 2974 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [1,0,0,1,0,0|1,0,0]=3 2975 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [1,0,0,1,0,0|2,0,0]=4 2976 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [1,0,0,1,0,0|1,0,0]=3 2977 B8R1.9 C=CCN[C@@H]1C[C@H]1F 9c58b91285fc07d9524376c7c6c497ef [1,0,0,1,0,0|2,0,0]=4 2978 B8R1.9 C=CCN[C@H]1C[C@@H]1F 345eeeb38ef51570a44624a71a4184d6 [1,0,0,1,0,0|2,0,0]=4 2979 B8R1.9 C=CCN[C@H]1C[C@H]1F 80d76f0a7bfda1effa8e39706fa4211b [1,0,0,1,0,0|2,0,0]=4 2980 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [1,0,0,1,0,0|2,0,0]=4 2981 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [1,0,0,1,0,0|1,0,0]=3 2982 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [1,0,0,1,0,0|1,0,0]=3 2983 B8R1.10 C=CCNC1COC1 71e6907bac04313c632066cdd8a7e800 [1,0,0,1,0,0|2,0,0]=4 2984 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [1,0,0,1,0,0|1,0,0]=3 2985 B8R1.10 C=CCOC1COC1 2069a7755978e3f7b09e83a42998a20a [1,0,0,1,0,0|2,0,0]=4 2986 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [1,0,0,1,0,0|2,0,0]=4 2987 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [1,0,0,1,0,0|2,0,0]=4 2988 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [1,0,0,1,0,0|2,0,0]=4 2989 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [1,0,0,1,0,0|2,0,0]=4 2990 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [1,0,0,1,0,0|2,0,0]=4 2991 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [1,0,0,1,0,0|2,0,0]=4 2992 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [1,0,0,1,0,0|2,0,0]=4 2993 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [1,0,0,1,0,0|2,0,0]=4 2994 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [1,0,0,1,0,0|2,0,0]=4 2995 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [1,0,0,1,0,0|2,0,0]=4 2996 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [1,0,0,1,0,0|2,0,0]=4 2997 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [1,0,0,1,0,0|2,0,0]=4 2998 B8R1.36 C=CCCNC1CC1 b8af55f20970d1f1dc53b7e019b02470 [1,0,0,1,0,0|1,0,0]=3 2999 B8R1.36 C=CCCOC1CC1 622d5e6791ce97e84bbc7a97a3048372 [1,0,0,1,0,0|1,0,0]=3 3000 B8R1.36 C=CCNCC1CC1 d574a4997f534ed53b974c2012f0d8e6 [1,0,0,1,0,0|1,0,0]=3 3001 B8R1.36 C=CCOCC1CC1 f479c640d2485abdcaf0be1cb3ece5ee [1,0,0,1,0,0|1,0,0]=3 3002 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [1,0,0,1,0,0|2,0,0]=4 3003 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [1,0,0,1,0,0|2,0,0]=4 3004 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [1,0,0,1,0,0|2,0,0]=4 3005 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [1,0,0,1,0,0|2,0,0]=4 3006 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [1,0,0,1,0,0|2,0,0]=4 3007 B8R1.38 C=CC(C)N1CCC1 a1d5ee1714f3f83fc5189dcd00a0c111 [1,0,0,1,0,0|2,0,0]=4 3008 B8R1.40 C=CC(C)NC1CC1 8b8889a102e9ab03cefafa84c6ba9b22 [1,0,0,1,0,0|2,0,0]=4 3009 B8R1.40 C=CC(C)OC1CC1 c4555d3282a816c367083c1a03c48a68 [1,0,0,1,0,0|2,0,0]=4 3010 B8R1.40 C=C[C@H](C)OC1CC1 aee4e5bffcd126c9d1f0f3e9ad16a764 [1,0,0,1,0,0|2,0,0]=4 3011 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [1,0,0,1,0,0|1,0,1]=4 3012 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [1,0,0,1,0,0|1,0,1]=4 3013 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [1,0,0,1,0,0|1,0,1]=4 3014 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [1,0,0,1,0,0|1,0,1]=4 3015 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [1,0,0,1,0,0|1,0,1]=4 3016 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [1,0,0,1,0,0|1,0,1]=4 3017 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [1,0,0,1,0,0|1,0,1]=4 3018 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [1,0,0,1,0,0|1,0,1]=4 3019 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [1,0,0,1,0,0|1,0,1]=4 3020 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [1,0,0,1,0,0|1,0,1]=4 3021 B10R1.14 C=CC(C)N1CCC(C1)C a8ba9b209c8da41062c157c2e0024ec5 [0,1,0,1,0,0|2,0,0]=4 3022 B10R1.14 C=CC(C)N1CCC(C1)F 1470c88713157043b61a6c14f90ecc38 [0,1,0,1,0,0|2,0,0]=4 3023 B10R1.14 C=CC(C)N1CCC(C1)O 6bb6b4603a75561123042a1663dcafea [0,1,0,1,0,0|2,0,0]=4 3024 B10R1.14 C=CC(C)N1CC[C@@H](C1)F 0afa03ca3830c804ee9063ec02dd58cf [0,1,0,1,0,0|2,0,0]=4 3025 B10R1.14 C=CC(C)N1CC[C@@H](C1)O 0d92a15cc0e3e61ba1da447e1cda2382 [0,1,0,1,0,0|2,0,0]=4 3026 B10R1.14 C=CC(C)N1CC[C@H](C1)F 9428ef97f39168319b9b0926c817ecd8 [0,1,0,1,0,0|2,0,0]=4 3027 B10R1.14 C=CC(C)N1CC[C@H](C1)O 6300f451dd9878651c1bb2fbd4cd875b [0,1,0,1,0,0|2,0,0]=4 3028 B10R1.31 C=CC1CCN(C1)C(C)C 5020c352ccb6c8e24c4a72e1784d3d37 [0,1,0,1,0,0|2,0,0]=4 3029 B10R1.54 CC(=O)N[C@@H]1C=C[C@@H](C1)O 3c5d449b83a9068c632156e6fad4a84d [0,1,0,1,0,0|1,0,1]=4 3030 B10R1.54 CC(=O)N[C@H]1C=C[C@H](C1)O 5da21737f4afea7787ecde715b144bdd [0,1,0,1,0,0|1,0,1]=4 3031 B10R1.54 CC(C)N[C@@H]1C=C[C@@H](C1)O 085158087179bc8e00a103a6529e59c7 [0,1,0,1,0,0|1,0,0]=3 3032 B10R1.54 CC(C)N[C@H]1C=C[C@H](C1)O ad33e8019c9dbb2822aea60e2500f741 [0,1,0,1,0,0|1,0,0]=3 3033 B10R1.73 C=C1CC1COCC(C)C a7fff127d84f1475f1f17fa1e0045163 [0,1,0,1,0,0|2,0,0]=4 3034 B10R1.150 C=CC(C)NC1CC(C1)F 7b771fe70fa3d116077b885fc909720a [0,1,0,1,0,0|2,0,0]=4 3035 B10R1.150 C=CC(C)NC1CC(C1)O 2fd6cc0add861127f7031b7b71c2969f [0,1,0,1,0,0|2,0,0]=4 3036 B10R1.150 C=CC(C)N[C@H]1C[C@@H](C1)F af5176ba066adc89f9d0fecd81c3bf1b [0,1,0,1,0,0|2,0,0]=4 3037 B10R1.150 C=CC(C)N[C@H]1C[C@@H](C1)O 6b1b9ea5192dbc70cc62e6693c860382 [0,1,0,1,0,0|2,0,0]=4 3038 B10R1.150 C=CC(C)N[C@H]1C[C@H](C1)F da462a514e494a32a5bade4c2c33c95c [0,1,0,1,0,0|2,0,0]=4 3039 B10R1.150 C=CC(C)N[C@H]1C[C@H](C1)O 8eaa52a475445a19194bb8673684b665 [0,1,0,1,0,0|2,0,0]=4 3040 B10R1.150 C=CC(C)OC1CC(C1)C ebd3a5ca1deb6bb9cde90415c8ed9eca [0,1,0,1,0,0|2,0,0]=4 3041 B10R1.150 C=CC(C)OC1CC(C1)F 965ddf1405930b09d4d8d8e24d1eec32 [0,1,0,1,0,0|2,0,0]=4 3042 B10R1.150 C=CC(C)O[C@H]1C[C@@H](C1)F 014152b4039155bdb29720b1a74219f1 [0,1,0,1,0,0|2,0,0]=4 3043 B10R1.150 C=CC(C)O[C@H]1C[C@H](C1)F 86fcc6ce010a75969129f2ce8e1723a7 [0,1,0,1,0,0|2,0,0]=4 3044 B10R1.153 C=CC(=O)NCCC1CC1 7e87aae5a3a6a9c9ca2ac5f4dd7d823f [0,1,0,1,0,0|0,0,2]=4 3045 B10R1.153 C=CC(C)COCC1CC1 cac15c04429c181fd109480399bed749 [0,1,0,1,0,0|1,0,0]=3 3046 B10R1.153 C=CC(C)NCCC1CC1 f903d9f14a6023c0364e83cdf44dbaf4 [0,1,0,1,0,0|1,0,0]=3 3047 B10R1.153 C=CC(C)NCCN1CC1 f85d08fa450022d3d85ef7bf296afeea [0,1,0,1,0,0|2,0,0]=4 3048 B10R1.153 C=CC(C)OCCC1CC1 9743e113216aca6e541e6dff378c14c0 [0,1,0,1,0,0|1,0,0]=3 3049 B10R1.153 C=CC(C)OCCN1CC1 df26405d0ea37db922a66839de64c84b [0,1,0,1,0,0|2,0,0]=4 3050 B10R1.153 C=CC(O)CNCC1CC1 6fda8200d954a81807444a3b2c3feab3 [0,1,0,1,0,0|0,0,0]=2 3051 B10R1.153 C=C[C@H](C)OCCC1CC1 f2656e4079a0fa6a21a8a719913fa0e7 [0,1,0,1,0,0|1,0,0]=3 3052 B10R1.153 CC(C=O)NCCC1CC1 55b6cd2d94392f5e6e4c1b840080e891 [0,1,0,1,0,0|2,0,0]=4 3053 B10R1.153 CC(C=O)OCCC1CC1 be0411aaea65770ad8226165924d57c0 [0,1,0,1,0,0|2,0,0]=4 3054 B10R1.153 CCC(O)CNCC1CC1 ff0d8948eb7db117c44b1fb1f76def71 [0,1,0,1,0,0|0,0,2]=4 3055 B10R1.153 CC[C@@H](O)CNCC1CC1 b63c00596012ac64e9518e30fc37456a [0,1,0,1,0,0|0,0,2]=4 3056 B10R1.153 C[C@H](C=O)NCCC1CC1 67108eb154e161762ab244ded77f7aca [0,1,0,1,0,0|2,0,0]=4 3057 B10R1.153 C[C@H](C=O)OCCC1CC1 24c41dbf54741f1bb8fa5e4d11d05add [0,1,0,1,0,0|2,0,0]=4 3058 B10R1.153 OC(CF)CNCC1CC1 ad13c0df79c80b36f40e8e5d13ffdcf6 [0,1,0,1,0,0|1,0,1]=4 3059 B10R1.153 OCC(O)CCNC1CC1 1229c84199bb793fb8e8b451e94f9086 [0,1,0,1,0,0|1,0,1]=4 3060 B10R1.153 OCC(O)CNCC1CC1 2133331694f1f85e778e6ada7645eace [0,1,0,1,0,0|1,0,1]=4 3061 B10R1.153 OCC(O)COCC1CC1 70f29ec3329521748017c74145ff1d7d [0,1,0,1,0,0|1,0,1]=4 3062 B10R1.153 OC[C@@H](O)CNCC1CC1 ac8ba4605abf85afb08280d28c3c184a [0,1,0,1,0,0|1,0,1]=4 3063 B10R1.153 OC[C@@H](O)COCC1CC1 c351ff15a00c6949864c778e2badf18b [0,1,0,1,0,0|1,0,1]=4 3064 B10R1.153 OC[C@H](O)CNCC1CC1 c5a168bd1448c5b2c804657dc0d908c7 [0,1,0,1,0,0|1,0,1]=4 3065 B10R1.153 OC[C@H](O)COCC1CC1 b69a1ea0c709cbdfd070d88718538113 [0,1,0,1,0,0|1,0,1]=4 3066 B10R1.197 CCN1CCCC(CC1)O 9883c78dd67fb34fecac71ccd2dd55c7 [0,1,0,1,0,0|0,0,2]=4 3067 B10R1.197 CCN1CCC[C@@H](CC1)O d1ecf01de950d08613c339b5d1ab9942 [0,1,0,1,0,0|0,0,2]=4 3068 B10R1.197 CCN1CCC[C@H](CC1)O 60a947e0c750ce72a6353859993af37b [0,1,0,1,0,0|0,0,2]=4 3069 B10R1.206 C=C1CC1COC(C)CC 506c6767e64824a865efabf9a6045d8e [0,1,0,1,0,0|2,0,0]=4 3070 B10R1.206 C=CC(C)OCC1CC1C 0aef246ff3782ba8a642f8ae78823748 [0,1,0,1,0,0|1,0,0]=3 3071 B10R1.206 C=CC(C)OC[C@@H]1C[C@@H]1C 959af4b643eeb336061d28d67ce606c1 [0,1,0,1,0,0|1,0,0]=3 3072 B10R1.206 C=CC(C)OC[C@@H]1C[C@@H]1F 8eefcc99d367d621d3897cba3f3a4b09 [0,1,0,1,0,0|2,0,0]=4 3073 B10R1.206 C=CC(C)OC[C@@H]1C[C@H]1C 2b00953f8f6071bdf65619a4a8ef5b9d [0,1,0,1,0,0|1,0,0]=3 3074 B10R1.206 C=CC(C)OC[C@@H]1C[C@H]1F 6c3585770f7b43187d98606f8e055a88 [0,1,0,1,0,0|2,0,0]=4 3075 B10R1.206 C=CC(C)OC[C@H]1C[C@@H]1C 46f6771950d30ea4e278637a2ce0cee4 [0,1,0,1,0,0|1,0,0]=3 3076 B10R1.206 C=CC(C)OC[C@H]1C[C@@H]1F 048502a42bffb340c257f7ef5220ed78 [0,1,0,1,0,0|2,0,0]=4 3077 B10R1.206 C=CC(C)OC[C@H]1C[C@H]1F fe0b2d2728adcb5ee8654be79b324a5b [0,1,0,1,0,0|2,0,0]=4 3078 B10R1.206 CC(C=O)OCC1CC1C f4ac07e8ceaf51cf7d79a50999a357bf [0,1,0,1,0,0|2,0,0]=4 3079 B10R1.206 CC(C=O)OC[C@@H]1C[C@@H]1C 255229a0998ff598a4f34de47d491e11 [0,1,0,1,0,0|2,0,0]=4 3080 B10R1.206 CC(C=O)OC[C@@H]1C[C@H]1C 1000df96b240bc80172ba3f292dc10c2 [0,1,0,1,0,0|2,0,0]=4 3081 B10R1.206 CC(C=O)OC[C@H]1C[C@@H]1C c5d93a24b2084690bbb7d7ee37a3c37b [0,1,0,1,0,0|2,0,0]=4 3082 B10R1.206 CC1CC1CO[C@H](C)C=O af4ff32ed1cbc9a07e19c5f1638e128f [0,1,0,1,0,0|2,0,0]=4 3083 B10R1.206 CC1CC1NCC(O)CF 3cba2c82a978aad3a16e54acbb455c15 [0,1,0,1,0,0|1,0,1]=4 3084 B10R1.206 CC1CC1NCC(O)CO be1e00f73f53a34821faaf7368216734 [0,1,0,1,0,0|1,0,1]=4 3085 B10R1.206 CC1CC1NC[C@@H](O)CO 9cea55302162c46177abb9ed8e4bf762 [0,1,0,1,0,0|1,0,1]=4 3086 B10R1.206 CC1CC1NC[C@H](O)CO 360d38ad4f390490f148679041407a3b [0,1,0,1,0,0|1,0,1]=4 3087 B10R1.206 CCC(O)CNC1CC1C 55946835cded6021f327e3d0795b9fae [0,1,0,1,0,0|0,0,2]=4 3088 B10R1.206 C[C@H](C=O)OC[C@@H]1C[C@@H]1C 2cb79a64f24b734c6f5149badd99c951 [0,1,0,1,0,0|2,0,0]=4 3089 B10R1.206 C[C@H](C=O)OC[C@@H]1C[C@H]1C 376c624003bc444aad40235a8af73837 [0,1,0,1,0,0|2,0,0]=4 3090 B10R1.206 C[C@H](C=O)OC[C@H]1C[C@@H]1C 5f3b8d2c94c34a4370d4a94862d7ec92 [0,1,0,1,0,0|2,0,0]=4 3091 B10R1.428 C=CC(C)NC1CC1(C)C c467cd9cbbc834277eb0129baa7232cf [0,1,0,1,0,0|2,0,0]=4 3092 B10R1.428 C=CC(C)N[C@@H]1CC1(C)C 29ea09d4904be541feabf0e9638fbb5e [0,1,0,1,0,0|2,0,0]=4 3093 B10R1.428 C=CC(C)N[C@H]1CC1(C)C 6adc81d795664996d441ff59e62b7bce [0,1,0,1,0,0|2,0,0]=4 3094 B10R1.428 C=CC(C)OC1CC1(C)C 6d7866fb22ee79acc52464cd92000e49 [0,1,0,1,0,0|2,0,0]=4 3095 B10R1.428 C=C[C@H](C)OC1CC1(C)C a11d082213885f778995926ec87cdeb8 [0,1,0,1,0,0|2,0,0]=4 3096 B10R1.10 C=CCN1CCCC(C1)C ec067262f3f4afde97dcd22b3b2f0ea0 [0,1,0,1,0,0|2,0,0]=4 3097 B10R1.10 C=CCN1CCC[C@@H](C1)C ea65ec47e239ecd79f6d4c8b23f87f01 [0,1,0,1,0,0|2,0,0]=4 3098 B10R1.10 C=CCN1CCC[C@H](C1)C c777c0295f899c88258a9ce18d129edf [0,1,0,1,0,0|2,0,0]=4 3099 B10R1.10 CC1CCCC(C1)NC=O a17cbd4e3036778885ce3068174816a1 [0,1,0,1,0,0|2,0,0]=4 3100 B10R1.10 CCCN1CC=CC(C1)O d99d71498b6613f122ba6b35d769472f [0,1,0,1,0,0|1,0,0]=3 3101 B10R1.10 COCN1CC=CC(C1)O 21c058d534faa1459a16aa332d4f1167 [0,1,0,1,0,0|2,0,0]=4 3102 B10R1.10 CSCN1CC=CC(C1)O 2aa37c7d1c750865f1adcc28ec5fb1c9 [0,1,0,1,0,0|2,0,0]=4 3103 B10R1.10 C[C@@H]1CCC[C@H](C1)NC=O 6f39176ec4d5e01852d746d6dbd970d4 [0,1,0,1,0,0|2,0,0]=4 3104 B10R1.10 OC1C=CCN(C1)CCF e8ee82c163faef3ffc7ee178e368ba6f [0,1,0,1,0,0|2,0,0]=4 3105 B10R1.10 OC1C=CCN(C1)CCS 808a939b4261032a614132b6f866d079 [0,1,0,1,0,0|2,0,0]=4 3106 B10R1.10 OCCN1CC=CC(C1)O 4dd519dbf31ce465ce61d7ba0fcb2a98 [0,1,0,1,0,0|2,0,0]=4 3107 B10R1.11 C=CCN(C)C1CCCC1 ce7982f82779ef2ff2e0603a124f96b5 [0,1,0,1,0,0|2,0,0]=4 3108 B10R1.11 CC(NC=O)C1CCCC1 1bb1f72ed53576e8e504d44077f9d5f7 [0,1,0,1,0,0|2,0,0]=4 3109 B10R1.19 CC1CCCCCN1C=O ba5fbd4c623eec64d4689114c99d9b50 [0,1,0,1,0,0|2,0,0]=4 3110 B10R1.21 CCCCCN1CC=CC1 f8ff4ce1fc30a8f02a35f223b9ac83c1 [0,1,0,1,0,0|2,0,0]=4 3111 B10R1.21 CCCCNC1CC=CC1 9612f2d30198d7695fe54bfa1233f08e [0,1,0,1,0,0|2,0,0]=4 3112 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [0,1,0,1,0,0|1,0,1]=4 3113 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [0,1,0,1,0,0|1,0,1]=4 3114 B10R1.21 CCCCNc1ccoc1 640322940a87afc9d827bccc7d39ae5e [0,1,0,1,0,0|1,0,1]=4 3115 B10R1.21 CCCCNc1ccon1 1d9d6f5bb9f6f4fb68fa3ea6f9775ccf [0,1,0,1,0,0|1,0,1]=4 3116 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [0,1,0,1,0,0|1,0,1]=4 3117 B10R1.21 CCCCOC1C=CCC1 1f0f3d5e12fa50d4f44075f6b1c06389 [0,1,0,1,0,0|2,0,0]=4 3118 B10R1.21 CCCCOC1CC=CC1 3cfd0eb84a0d9ab7a0d323408ba55e24 [0,1,0,1,0,0|2,0,0]=4 3119 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [0,1,0,1,0,0|1,0,1]=4 3120 B10R1.21 CCCNCC1CC=CC1 4de19405d79a1206c76de8908adfffb5 [0,1,0,1,0,0|2,0,0]=4 3121 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [0,1,0,1,0,0|1,0,1]=4 3122 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [0,1,0,1,0,0|1,0,1]=4 3123 B10R1.21 CCCNCc1ccoc1 77a12cc2355259eba3cfabf094f8d919 [0,1,0,1,0,0|1,0,1]=4 3124 B10R1.21 CCCNCc1ccon1 b53b608ddf693d3fc343683f463fb7fb [0,1,0,1,0,0|1,0,1]=4 3125 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [0,1,0,1,0,0|1,0,1]=4 3126 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [0,1,0,1,0,0|1,0,1]=4 3127 B10R1.21 CCCOCC1C=CCC1 432e0f58c9f3ac15b57d888692e1e4d2 [0,1,0,1,0,0|2,0,0]=4 3128 B10R1.21 CCCOCC1CC=CC1 d4af8ece61f0419093b3fa0b65f7da57 [0,1,0,1,0,0|2,0,0]=4 3129 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [0,1,0,1,0,0|1,0,1]=4 3130 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [0,1,0,1,0,0|1,0,1]=4 3131 B10R1.21 CCCOCc1ccoc1 350ab1ab3ec612f4eb7fb879044afc2a [0,1,0,1,0,0|1,0,1]=4 3132 B10R1.21 CCCOCc1ccon1 0508f50b820a2ac57642da204033d6af [0,1,0,1,0,0|1,0,1]=4 3133 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [0,1,0,1,0,0|1,0,1]=4 3134 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [0,1,0,1,0,0|1,0,1]=4 3135 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [0,1,0,1,0,0|1,0,1]=4 3136 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [0,1,0,1,0,0|1,0,1]=4 3137 B10R1.21 CCOCCc1ccoc1 036407c3a22d5cc5d73147c1dce3e7e4 [0,1,0,1,0,0|1,0,1]=4 3138 B10R1.21 CCOCCc1ccon1 7d935ca9b30187c624e295d7a3bd3830 [0,1,0,1,0,0|1,0,1]=4 3139 B10R1.24 C=C1CC(C1)CNCCC d2df9a1a3444d3bbb71131eda8cae42a [0,1,0,1,0,0|2,0,0]=4 3140 B10R1.24 C=C1CC(C1)COCCC c4738b1d34fdccc68f381f8fd9489731 [0,1,0,1,0,0|2,0,0]=4 3141 B10R1.24 CCCNCC1CC(=O)O1 e6188be948b9442c83f4afcd8259e636 [0,1,0,1,0,0|1,0,1]=4 3142 B10R1.24 CCCOCC1CC(=O)O1 98deb66a78aedaf4cee6d6522de3a253 [0,1,0,1,0,0|1,0,1]=4 3143 B10R1.85 C=CCN1CCCCCC1 dedbea71de50dce4778efb471019b0b0 [0,1,0,1,0,0|2,0,0]=4 3144 B10R1.85 O=CNC1CCCCCC1 113187389de6916fbb9a078d48160950 [0,1,0,1,0,0|2,0,0]=4 3145 B10R1.92 C=CCN1CC(C1)CCC fe6c20212fe3f64a4455948216deadc8 [0,1,0,1,0,0|2,0,0]=4 3146 B10R1.96 C=CC1CCN(C1)CCC 4e848c7c0e03ea861774eb90110cb902 [0,1,0,1,0,0|1,0,0]=3 3147 B10R1.96 C=CC1CCN(C1)CCF d5ab18b4ce0ca8bf8ffcc83767f504ad [0,1,0,1,0,0|2,0,0]=4 3148 B10R1.96 C=CC1CCN(C1)CCO 7b47c701535b3eb9c4989d76264cd9ef [0,1,0,1,0,0|2,0,0]=4 3149 B10R1.96 C=CC1CCN(C1)CCS 5a07dc09d63de6e9720aed1dd66d5fe7 [0,1,0,1,0,0|2,0,0]=4 3150 B10R1.96 C=CC1CCN(C1)COC c2790dbebf12bf08433514555398fc3a [0,1,0,1,0,0|2,0,0]=4 3151 B10R1.96 C=CC1CCN(C1)CSC b9bd3c1cd2e2f9d46560559ad0554f23 [0,1,0,1,0,0|2,0,0]=4 3152 B10R1.96 C=CCN1CCC(C1)CC 8fc262fbcba5ab42bcb66b967eef7c7f [0,1,0,1,0,0|2,0,0]=4 3153 B10R1.129 CCCCNC1CC1C=O 8df4995b5604ccf6e7d24f8b2e4a5f6c [0,1,0,1,0,0|2,0,0]=4 3154 B10R1.129 CCCCOC1CC1C=O ba9386aa0e948ad420b4c73ee9de4c17 [0,1,0,1,0,0|2,0,0]=4 3155 B10R1.137 C/C=C/C(C)OC1CCC1 a050011111e52cffa2fffa2bd863dbd2 [0,1,0,1,0,0|2,0,0]=4 3156 B10R1.137 C=CCC(C)CN1CCC1 2c2fc9754c670475ebc9118800c36f03 [0,1,0,1,0,0|2,0,0]=4 3157 B10R1.137 C=CCC(C)OC1CCC1 6d6315f863b7a415ce63541ed8ef5939 [0,1,0,1,0,0|2,0,0]=4 3158 B10R1.137 C=CCN(C)CC1CCC1 6e92871befb4baec83df972046f6c945 [0,1,0,1,0,0|2,0,0]=4 3159 B10R1.137 C=CC[C@@H](C)OC1CCC1 642cc4449a373a04c12d67d0aaadf0fd [0,1,0,1,0,0|2,0,0]=4 3160 B10R1.137 C=CC[C@H](C)OC1CCC1 7114ba8ca9d1980052e33d2bafb64b90 [0,1,0,1,0,0|2,0,0]=4 3161 B10R1.137 CC=CC(C)OC1CCC1 ef9c231afa8b6a4ff7da7b0837720d72 [0,1,0,1,0,0|2,0,0]=4 3162 B10R1.138 C/C=C/C(C)OCC1CC1 8ed6f23dbac740b369f25083c6a70757 [0,1,0,1,0,0|2,0,0]=4 3163 B10R1.138 C=CCC(C)CNC1CC1 0a03f06e98e2fd29cbf67834916a4f16 [0,1,0,1,0,0|2,0,0]=4 3164 B10R1.138 C=CCC(C)COC1CC1 73b2e6a05ba6abc06a6e54142461c946 [0,1,0,1,0,0|2,0,0]=4 3165 B10R1.138 C=CCC(C)OCC1CC1 d44dd3cded863a544d425eb4ab2f7af3 [0,1,0,1,0,0|2,0,0]=4 3166 B10R1.138 C=CCC(O)CNC1CC1 30cc6411d8a596361378d53232849583 [0,1,0,1,0,0|1,0,0]=3 3167 B10R1.138 C=CCN(C)CCC1CC1 e947c6bbfb83b01b30cff6e29fe9f2c1 [0,1,0,1,0,0|2,0,0]=4 3168 B10R1.138 C=CC[C@@H](C)OCC1CC1 c72641f72598e8ddd593e8977493f1f7 [0,1,0,1,0,0|2,0,0]=4 3169 B10R1.138 C=CC[C@H](C)OCC1CC1 bae635795f0560527e3f53a0a2c903cc [0,1,0,1,0,0|2,0,0]=4 3170 B10R1.138 CC=CC(C)OCC1CC1 e67dc2e787ae3012c534c30bc0fdd133 [0,1,0,1,0,0|2,0,0]=4 3171 B10R1.245 CC1CCCC(N1C=O)C 1a30b5cb607c77faa4597603dd875d8f [0,1,0,1,0,0|2,0,0]=4 3172 B10R1.245 C[C@@H]1CCC[C@@H](N1C=O)C a6d663435f3f86501af6d316ae61f032 [0,1,0,1,0,0|2,0,0]=4 3173 B10R1.245 C[C@@H]1CCC[C@H](N1C=O)C 854deca45d05ea72b33eea6028c2f268 [0,1,0,1,0,0|2,0,0]=4 3174 B10R1.245 C[C@H]1CCC[C@@H](N1C=O)C 622b818546739aa55bd37329ec1c59c9 [0,1,0,1,0,0|2,0,0]=4 3175 B10R1.377 CC1(CCCCC1)NC=O 6ae8a8b9f1f26131c7f30af4e9c95bc8 [0,1,0,1,0,0|2,0,0]=4 3176 B10R1.15 C=CC(C)N1CCCOC1 40af46cd5a5e4a816407ca7a6a5d309a [0,1,0,1,0,0|2,0,0]=4 3177 B10R1.15 C=CC(C)N1CCCSC1 0a6cfd7ff9d12c934842b0547fe14832 [0,1,0,1,0,0|2,0,0]=4 3178 B10R1.15 C=CC(C)N1CCOCC1 f7f338eb9b61b9a860991874b0cae4d0 [0,1,0,1,0,0|2,0,0]=4 3179 B10R1.15 C=CC(C)N1CCSCC1 43f30284e1c4f63e646410b832375e59 [0,1,0,1,0,0|2,0,0]=4 3180 B10R1.94 CCCN1CCC(C1C)O 88c654034e55c489e5e3af3798d487d0 [0,1,0,1,0,0|0,0,2]=4 3181 B10R1.94 CCCN1CC[C@@H]([C@@H]1C)O dbfcfc50b4a50b631e4aada3a6b2f410 [0,1,0,1,0,0|0,0,2]=4 3182 B10R1.94 CCCN1CC[C@H]([C@H]1C)O c2929f08b651d19dc140772747889f6c [0,1,0,1,0,0|0,0,2]=4 3183 B10R1.94 CCNC1CCN(C1=O)O a8014b6a0e4cb178a99da5762361c187 [0,1,0,1,0,0|2,0,0]=4 3184 B10R1.94 CCN[C@@H]1CCN(C1=O)O 20cce75be4d135f06eb0b5cd80deeced [0,1,0,1,0,0|2,0,0]=4 3185 B10R1.169 C=CC(C)N1CC(C1)CC ae38b0d9f1478abbb9aef68e27b7d478 [0,1,0,1,0,0|2,0,0]=4 3186 B10R1.182 C=CC(C)N(C)C1CCC1 fa3c6bdf6705b1df87d860db35adb206 [0,1,0,1,0,0|2,0,0]=4 3187 B10R1.184 C=CC(C)N(C)CC1CC1 eca46143cd1f8daaee0336d20bce9414 [0,1,0,1,0,0|2,0,0]=4 3188 B10R1.184 C=C[C@@H](C)[C@@H](C)OC1CC1 cdd9ba374d0ec006ec05ff1965c1a0ab [0,1,0,1,0,0|2,0,0]=4 3189 B10R1.184 C=C[C@@H](C)[C@H](C)OC1CC1 66042336a886ff64890dfcf52c1f38a5 [0,1,0,1,0,0|2,0,0]=4 3190 B10R1.184 C=C[C@H](C)[C@@H](C)OC1CC1 b3800e00ee07ba8e2e3156cd117905be [0,1,0,1,0,0|2,0,0]=4 3191 B10R1.184 C=C[C@H](C)[C@H](C)OC1CC1 8a79beb6862a66d9f31b38ef7359af58 [0,1,0,1,0,0|2,0,0]=4 3192 B10R1.103 C=CC(C)(C)COC1CC1 ba52e3d6ebdd2274badcbfbdd0447805 [0,1,0,1,0,0|2,0,0]=4 3193 B10R1.151 C=CC(=O)NCC1CCC1 6b2c8b503741da5e8af70a0ed12e2bfb [0,1,0,1,0,0|0,0,2]=4 3194 B10R1.151 C=CC(C)COC1CCC1 f185aa2a508134cc13e2e1d0ae59b608 [0,1,0,1,0,0|1,0,0]=3 3195 B10R1.151 C=CC(C)COC1COC1 c6689238c8e732c377014579a7beec93 [0,1,0,1,0,0|2,0,0]=4 3196 B10R1.151 C=CC(C)NCC1CCC1 855a97a810ff7fb4e01cb35efe32e7c3 [0,1,0,1,0,0|1,0,0]=3 3197 B10R1.151 C=CC(C)NCC1CCO1 c3a92a83be0cac50db98cfda71e18479 [0,1,0,1,0,0|2,0,0]=4 3198 B10R1.151 C=CC(C)NCC1COC1 d5a3742905ad665ef1b685683d250705 [0,1,0,1,0,0|2,0,0]=4 3199 B10R1.151 C=CC(C)NC[C@@H]1CCO1 bd88c9027252fb0dd76d7d0e5d0d104d [0,1,0,1,0,0|2,0,0]=4 3200 B10R1.151 C=CC(C)NC[C@H]1CCO1 7e883878d8c2c706dbd787545e36e678 [0,1,0,1,0,0|2,0,0]=4 3201 B10R1.151 C=CC(C)OCC1CCC1 da184d509eaa1e3bdd3edb6c89052afa [0,1,0,1,0,0|1,0,0]=3 3202 B10R1.151 C=CC(C)OCC1CCO1 80561ba730b2a2943d5f5afbe879a7a0 [0,1,0,1,0,0|2,0,0]=4 3203 B10R1.151 C=CC(C)OCC1COC1 be15cc0d68404d913aa2f7a7cf29256d [0,1,0,1,0,0|2,0,0]=4 3204 B10R1.151 C=CC(C)OCC1CSC1 88cb8d814378a220429e769aa40b9df9 [0,1,0,1,0,0|2,0,0]=4 3205 B10R1.151 C=CC(C)OC[C@@H]1CCO1 6e3218887939e1aa4a3f0904014c09ce [0,1,0,1,0,0|2,0,0]=4 3206 B10R1.151 C=CC(C)OC[C@H]1CCO1 3d88abaa229c06356619b9a1e0d15770 [0,1,0,1,0,0|2,0,0]=4 3207 B10R1.151 C=CC(O)CNC1CCC1 49a28ff43653190c2928a675aa49e448 [0,1,0,1,0,0|0,0,0]=2 3208 B10R1.151 C=CC(O)CNC1COC1 9f31a53cbace0ba5c6558c3f5ea1bae2 [0,1,0,1,0,0|1,0,0]=3 3209 B10R1.151 C=C[C@H](C)OCC1CCC1 588784d2c5c5af143ef61f8ec92f49da [0,1,0,1,0,0|1,0,0]=3 3210 B10R1.151 C=C[C@H](C)OCC1CCO1 f98634ba40eac97092191ca922f23401 [0,1,0,1,0,0|2,0,0]=4 3211 B10R1.151 C=C[C@H](C)OCC1COC1 f1d231aaa91443be683fc6757cb5fc33 [0,1,0,1,0,0|2,0,0]=4 3212 B10R1.151 C=C[C@H](C)OC[C@@H]1CCO1 a06ffdc224bb7db69492293f60d019cc [0,1,0,1,0,0|2,0,0]=4 3213 B10R1.151 C=C[C@H](C)OC[C@H]1CCO1 b0e19c0b060900a485dbf82615641fe4 [0,1,0,1,0,0|2,0,0]=4 3214 B10R1.151 CC(C=O)NCC1CCC1 1d691feaadfc53730ca99458399df1bb [0,1,0,1,0,0|2,0,0]=4 3215 B10R1.151 CC(C=O)OCC1CCC1 f175406f948b8c89d5041e30329c2eda [0,1,0,1,0,0|2,0,0]=4 3216 B10R1.151 CCC(O)CNC1CCC1 c415f65719601ffdbbda7433d90a4845 [0,1,0,1,0,0|0,0,2]=4 3217 B10R1.151 CC[C@@H](O)CNC1CCC1 eb5bf74c3de8783c96debe7764693437 [0,1,0,1,0,0|0,0,2]=4 3218 B10R1.151 C[C@H](C=O)NCC1CCC1 6098c817bbb191ea365b1323334fd257 [0,1,0,1,0,0|2,0,0]=4 3219 B10R1.151 C[C@H](C=O)OCC1CCC1 f5e265c9540258fce533b216cb85c87e [0,1,0,1,0,0|2,0,0]=4 3220 B10R1.151 OC(CF)CNC1CCC1 0a2a8f77563d43c867132bbe0dfba347 [0,1,0,1,0,0|1,0,1]=4 3221 B10R1.151 OCC(O)CNC1CCC1 587bd234b7564bc68fe2d0f97074db11 [0,1,0,1,0,0|1,0,1]=4 3222 B10R1.151 OCC(O)COC1CCC1 39556cffccb9d348823b29a7a179c847 [0,1,0,1,0,0|1,0,1]=4 3223 B10R1.151 OC[C@@H](O)CNC1CCC1 f87d2125a8a63a9f5413f43b1a1d2017 [0,1,0,1,0,0|1,0,1]=4 3224 B10R1.151 OC[C@@H](O)COC1CCC1 ad89d56cdb0a1bca99236d645d6f4829 [0,1,0,1,0,0|1,0,1]=4 3225 B10R1.151 OC[C@H](O)CNC1CCC1 0f6aa171218ce62db82328474fbb3712 [0,1,0,1,0,0|1,0,1]=4 3226 B10R1.151 OC[C@H](O)COC1CCC1 71f3befd969996f2746900775c7f3fc7 [0,1,0,1,0,0|1,0,1]=4 3227 B10R1.152 C=CC(C)NCC1(CC1)C e019129396a7081818af711d9fa2cee9 [0,1,0,1,0,0|2,0,0]=4 3228 B10R1.152 C=CC(C)NCC1(CC1)F 56bb45eab91f148a3e5368136636a2e8 [0,1,0,1,0,0|2,0,0]=4 3229 B10R1.152 C=CC(C)NCC1(CC1)O 12a112ff9c0f4ca3a29846a30b721cf6 [0,1,0,1,0,0|2,0,0]=4 3230 B10R1.152 C=CC(C)OCC1(CC1)Br 9b563f761843cf569c20f23b7c59abf5 [0,1,0,1,0,0|2,0,0]=4 3231 B10R1.152 C=CC(C)OCC1(CC1)C b6c29dd6ff5d7c05248e9e9154eeec06 [0,1,0,1,0,0|2,0,0]=4 3232 B10R1.152 C=CC(C)OCC1(CC1)Cl 22466065e26af0d400c30860f1d992d8 [0,1,0,1,0,0|2,0,0]=4 3233 B10R1.152 C=CC(C)OCC1(CC1)F 7f82dcd36fee698a5392b5c2bd28bdc6 [0,1,0,1,0,0|2,0,0]=4 3234 B10R1.152 C=C[C@H](C)OCC1(CC1)C a498d6ec8251dcede2403c40d6fd8522 [0,1,0,1,0,0|2,0,0]=4 3235 B10R1.152 C=C[C@H](C)OCC1(CC1)F 9aeb9242c1dfffdfe1cc394ca78db33a [0,1,0,1,0,0|2,0,0]=4 3236 B10R1.157 C=CC(C)N[C@@H]1C[C@@H]1OC 21c856c3d751baa56c48b9b29f6a3d42 [0,1,0,1,0,0|2,0,0]=4 3237 B10R1.157 C=CC(C)N[C@@H]1C[C@H]1CO ce8c933abf79bff2df43c101a92dd6e5 [0,1,0,1,0,0|2,0,0]=4 3238 B10R1.157 C=CC(C)N[C@H]1C[C@@H]1CO 998b0f455fb408060c4e599dcc633399 [0,1,0,1,0,0|2,0,0]=4 3239 B10R1.157 C=CC(C)N[C@H]1C[C@H]1CO 6376bb73406f938bf3cc09fa385a8897 [0,1,0,1,0,0|2,0,0]=4 3240 B10R1.463 C=CC(=O)N[C@@H]1CC[C@H]1C 8f0996bcfffdbabdd8f9d56db9bdf4a2 [0,1,0,1,0,0|0,0,2]=4 3241 B10R1.463 C=CC(=O)N[C@H]1CC[C@H]1C 0491a0741cd5ab619c7ccc5f5f396796 [0,1,0,1,0,0|0,0,2]=4 3242 B10R1.463 C=CC(C)NC1CCC1F 55fd341d61a9946b4f64d16d5394c39c [0,1,0,1,0,0|2,0,0]=4 3243 B10R1.463 C=CC(C)NC1CCC1O 472b44801c46b5cbc34470bc9482ccdd [0,1,0,1,0,0|2,0,0]=4 3244 B10R1.463 C=CC(C)NC1COC1C e092ee5a4903b5415a724d078e062dbd [0,1,0,1,0,0|2,0,0]=4 3245 B10R1.463 C=CC(C)N[C@@H]1CC[C@@H]1O a62d2d38c1c76beb8ad71b04020281d8 [0,1,0,1,0,0|2,0,0]=4 3246 B10R1.463 C=CC(C)N[C@@H]1CC[C@H]1C a44c9de797be233ba8740ce1b69f6d61 [0,1,0,1,0,0|1,0,0]=3 3247 B10R1.463 C=CC(C)N[C@@H]1CC[C@H]1O b9e4027403f0d3903a29c6a6d9f49716 [0,1,0,1,0,0|2,0,0]=4 3248 B10R1.463 C=CC(C)N[C@H]1CC[C@@H]1O 19e282a5048e9e978529ed1d1e522695 [0,1,0,1,0,0|2,0,0]=4 3249 B10R1.463 C=CC(C)N[C@H]1CC[C@H]1C 2652c9935bd141a67a9113ae1b9b7b18 [0,1,0,1,0,0|1,0,0]=3 3250 B10R1.463 C=CC(C)N[C@H]1CC[C@H]1O 8e809fee35f7993b25e57c1fd593eb7c [0,1,0,1,0,0|2,0,0]=4 3251 B10R1.463 C=CC(C)OC1COC1C d2af2f35ff757baf0936e4ac2ff32c34 [0,1,0,1,0,0|2,0,0]=4 3252 B10R1.463 CC(C=O)N[C@@H]1CC[C@H]1C 9ca8ca9625d1456c1b0ba77ad9112618 [0,1,0,1,0,0|2,0,0]=4 3253 B10R1.463 CC(C=O)N[C@H]1CC[C@H]1C e1efa4fdec37a737b93705d89e07360b [0,1,0,1,0,0|2,0,0]=4 3254 B10R1.463 C[C@H](C=O)N[C@@H]1CC[C@H]1C bb06a9abfcc79021db619b4132f7813b [0,1,0,1,0,0|2,0,0]=4 3255 B10R1.463 C[C@H](C=O)N[C@H]1CC[C@H]1C 528e6aed9cccefc062c88e74218c4553 [0,1,0,1,0,0|2,0,0]=4 3256 B10R1.27 C=CC(=O)NC1CCCC1 84416e68d7a2d3622f40e0d6fa2a4911 [0,1,0,1,0,0|0,0,2]=4 3257 B10R1.27 C=CC(C)NC1CCCC1 1045b507d93f295ff0b1a9f5f4da7410 [0,1,0,1,0,0|1,0,0]=3 3258 B10R1.27 C=CC(C)NC1CCOC1 2f552a2856ba92844317b457accbfc9c [0,1,0,1,0,0|2,0,0]=4 3259 B10R1.27 C=CC(C)NC1CCSC1 604cb19a99c6b191f206f9c38df3a47d [0,1,0,1,0,0|2,0,0]=4 3260 B10R1.27 C=CC(C)N[C@@H]1CCOC1 e068d3ca4ae58a428df8441309bb6445 [0,1,0,1,0,0|2,0,0]=4 3261 B10R1.27 C=CC(C)N[C@H]1CCOC1 4ad02e76494ce03377e84b4c9adfcce2 [0,1,0,1,0,0|2,0,0]=4 3262 B10R1.27 C=CC(C)OC1CCCC1 e654cf99abd51ebeaa00009d4e796a5e [0,1,0,1,0,0|1,0,0]=3 3263 B10R1.27 C=CC(C)OC1CCCO1 c1c5c793d294f8996e7b131752a801b6 [0,1,0,1,0,0|2,0,0]=4 3264 B10R1.27 C=CC(C)OC1CCOC1 f7222410818294ca1acf257e874befe1 [0,1,0,1,0,0|2,0,0]=4 3265 B10R1.27 C=CC(C)OC1CCSC1 be17d69054653003d20100060e10a5bd [0,1,0,1,0,0|2,0,0]=4 3266 B10R1.27 C=CC(C)O[C@@H]1CCOC1 07f0fe56b1e9e1920c9e9974701a5115 [0,1,0,1,0,0|2,0,0]=4 3267 B10R1.27 C=CC(C)O[C@@H]1CCSC1 b0213d0f7db3f286501e06a65eb84e55 [0,1,0,1,0,0|2,0,0]=4 3268 B10R1.27 C=CC(C)O[C@H]1CCOC1 5976af1d0f54e9b2ecf435c135f0f808 [0,1,0,1,0,0|2,0,0]=4 3269 B10R1.27 C=CC(C)O[C@H]1CCSC1 4dc278b02644195f0d8ccf2b20d6799e [0,1,0,1,0,0|2,0,0]=4 3270 B10R1.27 C=C[C@H](C)OC1CCCC1 365285a73473e1648f4eba2dda16ece4 [0,1,0,1,0,0|1,0,0]=3 3271 B10R1.27 C=C[C@H](C)OC1CCOC1 ec2b4c91aaa7ec16d4ecb5a73ff2b34f [0,1,0,1,0,0|2,0,0]=4 3272 B10R1.27 C=C[C@H](C)O[C@@H]1CCOC1 6462b8f318581143bed304da3fc39b3f [0,1,0,1,0,0|2,0,0]=4 3273 B10R1.27 C=C[C@H](C)O[C@H]1CCOC1 a55e7279e264ed8c270d9a7c6234b4c8 [0,1,0,1,0,0|2,0,0]=4 3274 B10R1.27 CC(C=O)NC1CCCC1 e4d986dfdd874e2641cf92a6885209f5 [0,1,0,1,0,0|2,0,0]=4 3275 B10R1.27 CC(C=O)OC1CCCC1 1533501a66f4479fbf99ffa4983b9e50 [0,1,0,1,0,0|2,0,0]=4 3276 B10R1.27 C[C@H](C=O)NC1CCCC1 3064a5c964e5cb42f87097337d70b714 [0,1,0,1,0,0|2,0,0]=4 3277 B10R1.27 C[C@H](C=O)OC1CCCC1 dd842974bb5ef701a920ffcc823c4eb4 [0,1,0,1,0,0|2,0,0]=4 3278 B10R1.134 C=CC(C)NC(C)C1CC1 7781bf56b298cb60a84e51d3cdc96ad4 [0,1,0,1,0,0|2,0,0]=4 3279 B10R1.134 C=CC(C)N[C@@H](C)C1CC1 22977889ce5d4186eb2c965526da7220 [0,1,0,1,0,0|2,0,0]=4 3280 B10R1.134 C=CC(C)N[C@H](C)C1CC1 df721331e820730c76da8d7508c5ddf6 [0,1,0,1,0,0|2,0,0]=4 3281 B10R1.134 C=CC(C)OC(C)C1CC1 db48ad4a0d69a1bd46b776b2c27eb0a5 [0,1,0,1,0,0|2,0,0]=4 3282 B10R1.134 C=CC(C)O[C@@H](C)C1CC1 087aa5a742732f704f1ae9d0a84d8afe [0,1,0,1,0,0|2,0,0]=4 3283 B10R1.134 C=CC(C)O[C@H](C)C1CC1 7abcbb9279cad8e0cd3b797a2ec6de2e [0,1,0,1,0,0|2,0,0]=4 3284 B10R1.134 C=C[C@H](C)OC(C)C1CC1 9e57be778d01b2d24a6d32d36d2babe6 [0,1,0,1,0,0|2,0,0]=4 3285 B10R1.149 C=CC(=O)N1CCCC1C 28536422ebcea5bd519fbbb4c6029250 [0,1,0,1,0,0|0,0,2]=4 3286 B10R1.149 C=CC(=O)N1CCC[C@@H]1C f411b894292e2fcbc416d1774c0d0459 [0,1,0,1,0,0|0,0,2]=4 3287 B10R1.149 C=CC(=O)N1CCC[C@H]1C 0c953f0198407838796355389a11d1a0 [0,1,0,1,0,0|0,0,2]=4 3288 B10R1.149 C=CC(C)N1CCCC1C 1789502187e4ffb7d7529276eee1d129 [0,1,0,1,0,0|1,0,0]=3 3289 B10R1.149 C=CC(C)N1CCCC1O 14ef92656c4ff277172ee0d6d4ec125a [0,1,0,1,0,0|2,0,0]=4 3290 B10R1.149 C=CC(C)N1CCC[C@@H]1C 46faf0fbe9b350d4e7f1651867931a4b [0,1,0,1,0,0|1,0,0]=3 3291 B10R1.149 C=CC(C)N1CCC[C@H]1C 8d6d3a73767941609b5b0c4bde59b5cb [0,1,0,1,0,0|1,0,0]=3 3292 B10R1.149 C=CC(C)N1CCSC1C 64c856d40d83d476337f23aa1adbc258 [0,1,0,1,0,0|2,0,0]=4 3293 B10R1.149 CC(C=O)N1CCCC1C 076e45365e2ba3133f7b430d65cbc0e9 [0,1,0,1,0,0|2,0,0]=4 3294 B10R1.149 CC(C=O)N1CCC[C@@H]1C 7e1e667793003325c3796aad7183cba0 [0,1,0,1,0,0|2,0,0]=4 3295 B10R1.149 CC(C=O)N1CCC[C@H]1C e15c125e657a3139a154b99f40e48032 [0,1,0,1,0,0|2,0,0]=4 3296 B10R1.149 CC1CCCN1[C@H](C)C=O 2ca83e216f4f5c9b72e6cdfe38cf54ad [0,1,0,1,0,0|2,0,0]=4 3297 B10R1.149 C[C@H](C=O)N1CCC[C@@H]1C 188650de533b75b541cf222ab4b290fd [0,1,0,1,0,0|2,0,0]=4 3298 B10R1.149 C[C@H](C=O)N1CCC[C@H]1C c847ceaf70b0d8d4469309229dee2fe8 [0,1,0,1,0,0|2,0,0]=4 3299 B10R1.418 C=CC(C)N1C(CC1C)C b84aa362bb502c665e2ab67443e15aa2 [0,1,0,1,0,0|2,0,0]=4 3300 B10R1.418 C=CC(C)N1[C@@H](C[C@@H]1C)C 31dda71157c3fe887d7949e962b9e3f1 [0,1,0,1,0,0|2,0,0]=4 3301 B10R1.418 C=CC(C)N1[C@@H](C[C@H]1C)C 536994fb5ac3e52ca2f9cc948337d6ca [0,1,0,1,0,0|2,0,0]=4 3302 B10R1.418 C=CC(C)N1[C@H](C[C@@H]1C)C 291a51f564735977d826007ffb0c07c2 [0,1,0,1,0,0|2,0,0]=4 3303 B10R1.429 C=CC(C)NC1(CCC1)C 3b62e30b1541a5ec667dcbfe50803240 [0,1,0,1,0,0|2,0,0]=4 3304 B10R1.1 CCCN1CCC(CC1)O 7d8d5866b4254c0003d2f97494ec0257 [0,1,0,1,0,0|0,0,2]=4 3305 B10R1.1 CCNC1CCC(CC1)O 11bdf7230bb0541641a7906c8f035576 [0,1,0,1,0,0|0,0,2]=4 3306 B10R1.1 CCN[C@H]1CC[C@@H](CC1)O 6d82ef141c9f9752d1b11022331d4ce8 [0,1,0,1,0,0|0,0,2]=4 3307 B10R1.1 CCN[C@H]1CC[C@H](CC1)O 37daf13a5b58b4eebe6135622f53f3d6 [0,1,0,1,0,0|0,0,2]=4 3308 B10R1.2 CCN1CCCC(C1C)O 78a40f985f759a0e55b23a272a59cca8 [0,1,0,1,0,0|0,0,2]=4 3309 B10R1.2 CCN1CCC[C@@H]([C@H]1C)O 5be3875e48bb2a662c69b30cea4e94b4 [0,1,0,1,0,0|0,0,2]=4 3310 B10R1.2 CCN1CCC[C@H]([C@@H]1C)O 74085c55b00b372edf2ec600266376a5 [0,1,0,1,0,0|0,0,2]=4 3311 B10R1.16 C#CCN[C@@H]1C=C[C@@H](C1)O db8f360db965f059a42a2ecb07c10e1c [0,1,0,1,0,0|0,0,2]=4 3312 B10R1.16 C#CCN[C@H]1C=C[C@H](C1)O 8febdc62ed17968e187c0450aa06b796 [0,1,0,1,0,0|0,0,2]=4 3313 B10R1.16 C=CCN[C@@H]1C=C[C@@H](C1)O dd2a17368677306fd751e79857721638 [0,1,0,1,0,0|0,0,2]=4 3314 B10R1.16 C=CCN[C@H]1C=C[C@H](C1)O 867bb8d99fbdfbc0247a17df8a94bc54 [0,1,0,1,0,0|0,0,2]=4 3315 B10R1.16 CCCCN1CCC(C1)O 584db9ab75df990a992c8592cd74cb04 [0,1,0,1,0,0|0,0,2]=4 3316 B10R1.16 CCCCN1CC[C@@H](C1)O b5851d6be3a4e1fb5c92f6bf54ffb635 [0,1,0,1,0,0|0,0,2]=4 3317 B10R1.16 CCCCN1CC[C@H](C1)O e5dbb9cf9ec2abf54bbd5a4dcb2f08ad [0,1,0,1,0,0|0,0,2]=4 3318 B10R1.16 CCCNC1CCC(C1)O f1b335e63d27b53f1a1b6a1c3d09f7f2 [0,1,0,1,0,0|0,0,2]=4 3319 B10R1.16 CCCN[C@@H]1C=C[C@@H](C1)O dedb0517641856150a6edb2f3c98793d [0,1,0,1,0,0|0,0,0]=2 3320 B10R1.16 CCCN[C@@H]1CC[C@@H](C1)O 2205b6593b5f673891de8852dfa6826b [0,1,0,1,0,0|0,0,2]=4 3321 B10R1.16 CCCN[C@@H]1CC[C@H](C1)O d9fd8f02ee8da6c0ca51876478c2a65b [0,1,0,1,0,0|0,0,2]=4 3322 B10R1.16 CCCN[C@H]1C=C[C@H](C1)O 6cf16b304e7739b214ec1f5e88048d3c [0,1,0,1,0,0|0,0,0]=2 3323 B10R1.16 CCCN[C@H]1CC[C@@H](C1)O 9e176b3a99876099d4ac464218d7b1a2 [0,1,0,1,0,0|0,0,2]=4 3324 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2723f1f883a3f877474673609328126f [0,1,0,1,0,0|0,0,2]=4 3325 B10R1.16 CCCOC1C=CC(=O)C1 9b745ee7f58bac36e4fbed1aed03c051 [0,1,0,1,0,0|0,0,2]=4 3326 B10R1.16 CCCO[C@H]1C=CC(=O)C1 77852a61e5c28e53a3ee462fddd40885 [0,1,0,1,0,0|0,0,2]=4 3327 B10R1.16 CCNCC1CCC(C1)O 2a62b49b03dc9bd9c9667922aa8236db [0,1,0,1,0,0|0,0,2]=4 3328 B10R1.16 COCN[C@@H]1C=C[C@@H](C1)O 4dc89bac7b51579161e1cc55739a455d [0,1,0,1,0,0|1,0,0]=3 3329 B10R1.16 COCN[C@H]1C=C[C@H](C1)O 1bbc7a5d9a5928f6b8b37b5641de07dd [0,1,0,1,0,0|1,0,0]=3 3330 B10R1.16 CSCN[C@@H]1C=C[C@@H](C1)O da7d51c1a4545ecbac1d32bc3494dc02 [0,1,0,1,0,0|1,0,0]=3 3331 B10R1.16 CSCN[C@H]1C=C[C@H](C1)O 9028f2aa6c09df8bf315505b0049ea4f [0,1,0,1,0,0|1,0,0]=3 3332 B10R1.16 N#CCN[C@@H]1C=C[C@@H](C1)O 8fb5d863948aac2dbd2a4b336f61e34b [0,1,0,1,0,0|1,0,1]=4 3333 B10R1.16 N#CCN[C@H]1C=C[C@H](C1)O 0dbc9e9907c6e1eee18dab347c60695d [0,1,0,1,0,0|1,0,1]=4 3334 B10R1.16 O=CCN[C@@H]1C=C[C@@H](C1)O d884cf55c6398b128e8eeafe3250d6ec [0,1,0,1,0,0|1,0,1]=4 3335 B10R1.16 O=CCN[C@H]1C=C[C@H](C1)O 6824b99a20748e7b21b5520a0247d02b [0,1,0,1,0,0|1,0,1]=4 3336 B10R1.16 OCCN[C@@H]1C=C[C@@H](C1)O 2f0c2345f213fd4855840f7a3ee60598 [0,1,0,1,0,0|1,0,0]=3 3337 B10R1.16 OCCN[C@H]1C=C[C@H](C1)O e6fc37ba0cee918a9a2606fe5c8b467c [0,1,0,1,0,0|1,0,0]=3 3338 B10R1.16 O[C@@H]1C=C[C@@H](C1)NCCF bb402fac70abca18cbcc94e891fe0166 [0,1,0,1,0,0|1,0,0]=3 3339 B10R1.16 O[C@@H]1C=C[C@@H](C1)NCCS 2b8556d002e42bee1112d72a07af7341 [0,1,0,1,0,0|1,0,0]=3 3340 B10R1.16 O[C@H]1C=C[C@H](C1)NCCF c384e14102ce3511db59f29c8dc11be0 [0,1,0,1,0,0|1,0,0]=3 3341 B10R1.16 O[C@H]1C=C[C@H](C1)NCCS 7d161c502bfb36f209f792d87e76676e [0,1,0,1,0,0|1,0,0]=3 3342 B10R1.37 CCCCNC1CCC1O 111ecc23438ac3228b364a9d26c3fcf1 [0,1,0,1,0,0|0,0,2]=4 3343 B10R1.37 CCCCN[C@@H]1CC[C@@H]1O abbe0c48f6439a806f76bcb28631ed2e [0,1,0,1,0,0|0,0,2]=4 3344 B10R1.37 CCCCN[C@@H]1CC[C@H]1O 777db253a549cd3732fd513f21b3dda0 [0,1,0,1,0,0|0,0,2]=4 3345 B10R1.37 CCCCN[C@H]1CC[C@@H]1O 5b5af291a30f1d1ca29c4341b11340bf [0,1,0,1,0,0|0,0,2]=4 3346 B10R1.37 CCCCN[C@H]1CC[C@H]1O 1550a978bce20a70dafce712bd8f6ebb [0,1,0,1,0,0|0,0,2]=4 3347 B10R1.37 CCCNCC1COC1=O 99ee514ca2ac33542134281e9e088097 [0,1,0,1,0,0|2,0,0]=4 3348 B10R1.37 CCCOCC1COC1=O 0e5edb7b715011b8da6e7e8dfcb86505 [0,1,0,1,0,0|2,0,0]=4 3349 B10R1.56 C=C1CC1COCCCC d20632b89e5942cadf8e892a110a30e7 [0,1,0,1,0,0|1,0,0]=3 3350 B10R1.56 C=C1CC1COCCCF 69ffab31a445e39ae26f1e84a47206f0 [0,1,0,1,0,0|2,0,0]=4 3351 B10R1.56 C=C1CC1COCCCS 6d3a1756a04f62ad4ceea73fe9719ea3 [0,1,0,1,0,0|2,0,0]=4 3352 B10R1.56 C=C1CC1COCCOC b166e309e9042835ff5bddfdf8cd914d [0,1,0,1,0,0|2,0,0]=4 3353 B10R1.56 C=C1CC1COCCSC 61e5240df1ff7bf2ce1ef849f18dd6a5 [0,1,0,1,0,0|2,0,0]=4 3354 B10R1.56 C=C1CC1COCOCC f4f0494a18db29b41b0d851070c2b716 [0,1,0,1,0,0|2,0,0]=4 3355 B10R1.57 CCCCNCC1CCO1 e9080cc4b4cec8a468c9cf998279be02 [0,1,0,1,0,0|0,0,2]=4 3356 B10R1.57 CCCCNC[C@@H]1CCO1 037c7ea4bf931ac66f5c6fae3dc667cb [0,1,0,1,0,0|0,0,2]=4 3357 B10R1.57 CCCCNC[C@H]1CCO1 5ef51163597ba77232d582da5406a629 [0,1,0,1,0,0|0,0,2]=4 3358 B10R1.57 CCCCOCC1CCO1 f8cef19a2e61f852bf153a22ccacdf9c [0,1,0,1,0,0|0,0,2]=4 3359 B10R1.57 CCCCOC[C@@H]1CCO1 820aa780ac9234a310f0730f68d7339a [0,1,0,1,0,0|0,0,2]=4 3360 B10R1.57 CCCCOC[C@H]1CCO1 d16c81773626e910a6cc9c64ed41fd62 [0,1,0,1,0,0|0,0,2]=4 3361 B10R1.57 CCCNCCC1CCO1 9229ebdb0eb178b8d4ace4e27c9fa26b [0,1,0,1,0,0|0,0,2]=4 3362 B10R1.57 CCCNCC[C@@H]1CCO1 46a166148892db5d7ce97f7448e0f584 [0,1,0,1,0,0|0,0,2]=4 3363 B10R1.57 CCCOCCC1CCO1 937d1e7de0e13baf1e017f90bf59a776 [0,1,0,1,0,0|0,0,2]=4 3364 B10R1.57 CCCOCC[C@@H]1CCO1 c3ea0ec00b8446852ba0c1ccb44458a7 [0,1,0,1,0,0|0,0,2]=4 3365 B10R1.57 CCCOCC[C@H]1CCO1 c845c5604b361907273be45fa8ac305d [0,1,0,1,0,0|0,0,2]=4 3366 B10R1.70 CCCCNCC1(CC1)O aced9f4505b2c58c22038c3fa595f7a3 [0,1,0,1,0,0|0,0,2]=4 3367 B10R1.70 CCCNCCC1(CC1)O b49e5b78f99934078b0e9d2b40d8a67a [0,1,0,1,0,0|0,0,2]=4 3368 B10R1.175 C=CC(=O)N1CCC1CC 43139a9c7897f0c2bee7494dbe7d0ed5 [0,1,0,1,0,0|0,0,2]=4 3369 B10R1.175 C=CC(C)N1CCC1CC 1be555231ebf8f402466f21a4de14362 [0,1,0,1,0,0|1,0,0]=3 3370 B10R1.175 C=CC(C)N1CCC1CO 3ac0b1a687d411025197f9cee057490a [0,1,0,1,0,0|2,0,0]=4 3371 B10R1.175 C=CC(C)N1CC[C@@H]1CO 0f5f28ebadb0426574c0e038187ec95d [0,1,0,1,0,0|2,0,0]=4 3372 B10R1.175 C=CC(C)N1CC[C@H]1CO 043d7893cde198c91f6a4e42b6c0a555 [0,1,0,1,0,0|2,0,0]=4 3373 B10R1.175 CCC1CCN1C(C)C=O 2e902036c4b8c0fcc86fc2241ca0f8b1 [0,1,0,1,0,0|2,0,0]=4 3374 B10R1.175 CCC1CCN1[C@H](C)C=O 60cbf7d44e67a684b59bf0d98eb658fc [0,1,0,1,0,0|2,0,0]=4 3375 B10R1.204 C=C(I)[C@H](C)CN1CCC1 1a0079a5c72ca3bf16e368e0a7afa153 [0,1,0,1,0,0|2,0,0]=4 3376 B10R1.204 O=C(O)C(O)NC1CCC1 b106cebf3b5b02881d61ad75f5341464 [0,1,0,1,0,0|2,0,0]=4 3377 B10R1.205 C=C(I)[C@H](C)CNC1CC1 4c3af98af5cec1bdcea331c15b403cc9 [0,1,0,1,0,0|2,0,0]=4 3378 B10R1.205 C=C(I)[C@H](C)COC1CC1 965a906017499861314950c67bfd993c [0,1,0,1,0,0|2,0,0]=4 3379 B10R1.205 O=C(O)C(O)CNC1CC1 c038e2452a7b42d2b8e1c9b184c9373c [0,1,0,1,0,0|2,0,0]=4 3380 B10R1.205 O=C(O)C(O)NCC1CC1 a08085845d2225d0b8c47c14341de172 [0,1,0,1,0,0|2,0,0]=4 3381 B10R1.205 O=C(O)[C@@H](O)CNC1CC1 824e64ded34ab20359e6367451ad6894 [0,1,0,1,0,0|2,0,0]=4 3382 B10R1.205 O=C(O)[C@H](O)CNC1CC1 4c820e1cd7e0cc21b215ae5fe6435e79 [0,1,0,1,0,0|2,0,0]=4 3383 B10R1.122 C#CC(C=C)OC1CCC1 c64323d22d4b77e37ec41744bb200057 [0,1,0,1,0,0|2,0,0]=4 3384 B10R1.122 C=CC(C=C)OC1CCC1 17401a420367df3f07507eaa4e937b68 [0,1,0,1,0,0|2,0,0]=4 3385 B10R1.122 C=CC(CC)OC1CCC1 8dcfba4c97902fdb2b3ef793123ee139 [0,1,0,1,0,0|2,0,0]=4 3386 B10R1.122 C=C[C@@H](CO)NC1CCC1 acd00f8af58f7af544dc65261a33c984 [0,1,0,1,0,0|1,0,0]=3 3387 B10R1.122 C=C[C@@H](CO)NC1COC1 6ed6beac782ca3f879846a1b1ffa3e49 [0,1,0,1,0,0|2,0,0]=4 3388 B10R1.123 C#CC(C=C)OCC1CC1 f85059f4997513762a7417e3a1e6d7c5 [0,1,0,1,0,0|2,0,0]=4 3389 B10R1.123 C=CC(C=C)OCC1CC1 bec72a900b000bd2b57f96fe10d7bc74 [0,1,0,1,0,0|2,0,0]=4 3390 B10R1.123 C=CC(CC)OCC1CC1 56018bb0a4038a1748c492f2e3a281aa [0,1,0,1,0,0|2,0,0]=4 3391 B10R1.123 C=C[C@@H](CO)NCC1CC1 86d8d584d382d2a5f71d8bd4a806545f [0,1,0,1,0,0|1,0,0]=3 3392 B10R2.99 CCN1CC2C=CC1C2 49ccd8b61e4f6e975f29949066f4f61f [0,0,0,2,0,0|2,0,0]=4 3393 B10R2.99 CCN1C[C@H]2C=C[C@@H]1C2 3b10489292d4567bc6197792731b29b6 [0,0,0,2,0,0|2,0,0]=4 3394 B10R2.75 C=C1CC1COC2CC2 0606d061dc048984f545af33f21e8a84 [0,0,0,2,0,0|2,0,0]=4