0 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,0,0,0,0,0|2,1,0]=3 3 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,0,0,0,0,0|3,1,0]=4 4 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,0,0,0,0,0|2,1,0]=3 7 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,0,0,0,0,0|3,1,0]=4 8 B8R0.4 C=CCNCCOC=C 568feae345a6f2304f62265027e235a2 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,0,0,0,0,0|3,1,0]=4 10 B8R0.4 C=CCOCCOC=C 181d1febeae8e97e01c4d9dfc8a4f948 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [1,0,0,0,0,0|1,1,0]=3 14 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [1,0,0,0,0,0|2,1,0]=4 15 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [1,0,0,0,0,0|2,1,0]=4 16 B9R0.2 C=CCCCNCC(=C)Br 8fa924edb29c7de5b6f5ae13a005fea8 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.2 C=CCCCNCC(=C)C 43b165e7096ce52c08a3182869a4b0d6 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.2 C=CCCCNCC(=C)Cl 711a9c91eb5638888860b188568cb54f [0,1,0,0,0,0|3,0,0]=4 19 B9R0.2 C=CCCCNCC(=C)F 78410247635a3af484f128d7608ee71e [0,1,0,0,0,0|3,0,0]=4 20 B9R0.2 C=CCCCOCC(=C)Br e25d68a2f85515d8eb84a358104e9301 [0,1,0,0,0,0|2,1,0]=4 21 B9R0.2 C=CCCCOCC(=C)C 087b5d3ebc220de6695ac64d1aeffacc [0,1,0,0,0,0|2,1,0]=4 22 B9R0.2 C=CCCCOCC(=C)Cl 480ea036c35ac00be186539279f3ab2e [0,1,0,0,0,0|2,1,0]=4 23 B9R0.2 C=CCCCOCC(=C)F 2356cb60d6c06c77b9d398c73dce52e7 [0,1,0,0,0,0|2,1,0]=4 24 B9R0.2 C=CCCCOCC(=C)I 2381db80561d99595e3ddfc896013f44 [0,1,0,0,0,0|2,1,0]=4 25 B9R0.2 C=CCCNCCC(=C)C 78f8dff4c86a45403bfd613a7f3ad83e [0,1,0,0,0,0|3,0,0]=4 26 B9R0.2 C=CCCOCCC(=C)Br 57cb6cf091177ab760dbd4b7ae756574 [0,1,0,0,0,0|2,1,0]=4 27 B9R0.2 C=CCCOCCC(=C)C d03e028db1137b4f0e447e561dff7239 [0,1,0,0,0,0|2,1,0]=4 28 B9R0.2 C=CCOCCCC(=C)C 76e95f7e92154fd318395db4b0cdc1dd [0,1,0,0,0,0|2,1,0]=4 29 B9R0.5 C=CCCCN(C)CC=C 66d5b27ee0e86d969c83269f4badf148 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.5 C=CCCNC(=O)CC=C 17b8bc46d77b2b91d6f2f6315d6e4804 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.5 C=CCCOC(C)CC=C 5a55bcfca93f61963438cd396ff63c25 [0,1,0,0,0,0|2,1,0]=4 32 B9R0.5 C=CCCO[C@@H](C)CC=C 98ff8bca8137fd8c5874791b0c909204 [0,1,0,0,0,0|2,1,0]=4 33 B9R0.5 C=CCCO[C@H](C)CC=C 924fc4d50cee941dd737648d66553c0f [0,1,0,0,0,0|2,1,0]=4 34 B9R0.5 C=CCNCC(O)CC=C f1455221197e706ade8581ead0d1a203 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.5 C=CCOCC(C)CC=C b4b21c956618425a0528fa70f5e73187 [0,1,0,0,0,0|2,1,0]=4 36 B9R0.18 C=CCCC(C)OCC=C 802b7fd78b8dba464dc206055af48eaa [0,1,0,0,0,0|2,1,0]=4 37 B9R0.18 C=CCCN(C)CCC=C 81018b795c1f076c1c890c5f4fb2312b [0,1,0,0,0,0|3,0,0]=4 38 B9R0.18 C=CCC[C@@H](C)OCC=C c576f26f980e610faf65f95f7b731b00 [0,1,0,0,0,0|2,1,0]=4 39 B9R0.45 C=C=CCCOCCC=C 30917a94801df7ace1eb143c66fd308f [0,1,0,0,0,0|2,1,0]=4 40 B9R0.45 C=CCCCCNCC=C 8ac5ddba0a702b080640fb7723c96adf [0,1,0,0,0,0|3,0,0]=4 41 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [0,1,0,0,0,0|2,1,0]=4 42 B9R0.45 C=CCCCNC/C=C/C fb3782a10c4d33233632860c17fdaa43 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.45 C=CCCCNC/C=C/Cl cf2e98043c1fccdf85b58cb7174d9862 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.45 C=CCCCNC/C=C\C d5dad80f1574225afeda9468d4b60d7e [0,1,0,0,0,0|3,0,0]=4 45 B9R0.45 C=CCCCNC/C=C\Cl d6d5d18ff41d680388c01c3bc0aa4040 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.45 C=CCCCNC/C=C\O 4a617864c7aaefd605502f4dc07725d2 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.45 C=CCCCNCC=CC 2bf96698450b4b31f485adb559739e82 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.45 C=CCCCNCCC=C c42b4450581d48e6b8cf2987820be704 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.45 C=CCCCOC/C=C/C 05c96fd8abfc3fdf74fb0323f2f48dbf [0,1,0,0,0,0|2,1,0]=4 50 B9R0.45 C=CCCCOC/C=C/Cl 8a6b152489943f4dca89786092e405d5 [0,1,0,0,0,0|2,1,0]=4 51 B9R0.45 C=CCCCOC/C=C\C 902e933d7ba15166c4985c2aa372e51c [0,1,0,0,0,0|2,1,0]=4 52 B9R0.45 C=CCCCOC/C=C\Cl e221229c5f0c27eafbfb6995b015e529 [0,1,0,0,0,0|2,1,0]=4 53 B9R0.45 C=CCCCOCC=CC 50d5479cc639ba2b73444d482db48fbf [0,1,0,0,0,0|2,1,0]=4 54 B9R0.45 C=CCCCOCC=CCl 3acf6b1371c4b4dbb5f5489e3415df2e [0,1,0,0,0,0|2,1,0]=4 55 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,1,0,0,0,0|2,1,0]=4 56 B9R0.45 C=CCCNCCOC=C 6388d8614766ca3f08016e37ce1e9b1e [0,1,0,0,0,0|3,0,0]=4 57 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,1,0,0,0,0|2,1,0]=4 58 B9R0.45 C=CCCOCCOC=C 3998ca77f9a681f8a309afa9ed9f5b6f [0,1,0,0,0,0|2,1,0]=4 59 B9R0.45 C=CCNCCCOC=C a98777344232f94e6addc0c89a7de016 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [0,1,0,0,0,0|2,1,0]=4 61 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [0,1,0,0,0,0|2,1,0]=4 62 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [0,1,0,0,0,0|2,1,0]=4 63 B9R0.45 C=CCOCCOCC=C e5fee7537f71435e17875109708d9545 [0,1,0,0,0,0|1,2,0]=4 64 B9R0.46 C=CCCCNC(C)C=C 2780bc8170097192e184e61955dbd757 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.46 C=CCCCOC(C)C=C 1c31366b8e42b740a1c50bebae1885de [0,1,0,0,0,0|2,1,0]=4 66 B9R0.46 C=CCCCO[C@@H](C)C=C bc2d9cce416710af0ec2a6a34d6c4be9 [0,1,0,0,0,0|2,1,0]=4 67 B9R0.46 C=CCCNCC(O)C=C 6a0655f4269fca8190709773d0cd637e [0,1,0,0,0,0|3,0,0]=4 68 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,1,0,0,0,0|2,1,0]=4 69 B9R1.12 C=CCNc1cccs1 92993373d08919e3ab7ac7048fef9205 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.12 C=CCNc1ccns1 1aac557a6237f3ae6b6a18bb75a3636e [0,0,0,1,0,0|3,0,0]=4 71 B9R1.12 C=CCOC1C=CCC1 1094c1beddbebf59599e5ace5694e0a9 [0,0,0,1,0,0|2,1,0]=4 72 B9R1.12 C=CCOc1cccs1 b7faae57695cecc953f00162fbf0975d [0,0,0,1,0,0|1,1,1]=4 73 B9R1.16 C=CCOCC1CC1=C e9796ab4cfe4aed29aea19ea468b68ed [0,0,0,1,0,0|2,1,0]=4 74 B8R0.1 C=CCCN(C)CC=C c225d9897cf807badadcb524de894d37 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.1 C=CCOC(C)CC=C a7aadcd931eecdb16772ffcf359ca236 [1,1,0,0,0,0|1,1,0]=4 76 B8R0.1 C=CCO[C@@H](C)CC=C 3bfdd5b2267fd39547c0b362a6513eda [1,1,0,0,0,0|1,1,0]=4 77 B8R0.1 C=CCO[C@H](C)CC=C 0100e705fe807b15fc107c2a773a953c [1,1,0,0,0,0|1,1,0]=4 78 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [1,1,0,0,0,0|1,1,0]=4 80 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [1,1,0,0,0,0|1,1,0]=4 81 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [1,1,0,0,0,0|1,1,0]=4 83 B8R0.7 C=CCCNCC(=C)Br df13fd07a9c6a85363db193d53457e36 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [1,1,0,0,0,0|2,0,0]=4 85 B8R0.7 C=CCCNCC(=C)Cl f6c17e12834d459c72f8092ec10e99ab [1,1,0,0,0,0|2,0,0]=4 86 B8R0.7 C=CCCNCC(=C)F ed70db59233e59b9a384a08b2cdbbb8d [1,1,0,0,0,0|2,0,0]=4 87 B8R0.7 C=CCCOCC(=C)Br c44a55a4328a1ac8c47e3bc621ce92dd [1,1,0,0,0,0|1,1,0]=4 88 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [1,1,0,0,0,0|1,1,0]=4 89 B8R0.7 C=CCCOCC(=C)Cl 1ecab60dd4c49c87bcba6074b5a83666 [1,1,0,0,0,0|1,1,0]=4 90 B8R0.7 C=CCCOCC(=C)F 992c6c5afa86ede1d232bd4a800e806d [1,1,0,0,0,0|1,1,0]=4 91 B8R0.7 C=CCCOCC(=C)I b0d09e2866c972fe7ed5d5e722db9487 [1,1,0,0,0,0|1,1,0]=4 92 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [1,1,0,0,0,0|2,0,0]=4 93 B8R0.7 C=CCOCCC(=C)Br 68770ee60d2da5b075f0cf42b1e99667 [1,1,0,0,0,0|1,1,0]=4 94 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [1,1,0,0,0,0|1,1,0]=4