0 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,0,0,0,0|1,0,1]=2 10 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,0,0,0,0|1,0,1]=2 12 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,0,0,0,0,0|4,0,0]=4 15 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,0,0,0,0|1,0,3]=4 17 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,0,0,0,0|1,0,3]=4 20 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,0,0,0,0|1,0,3]=4 21 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 N#CNC(=O)C=O 1f5e87ac61370d0fee6235b020510a93 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|0,0,3]=4 27 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,0,2]=4 31 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,0,0,0,0|3,0,0]=4 32 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,1,0,0,0,0|1,0,1]=3 36 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.3 C#CCNC(=O)C=C 4a9cb7bc45daa667ed206a695acf02ea [0,1,0,0,0,0|1,0,1]=3 45 B7R0.3 C#CCNC(=O)C=O 85689a441d6bd23a63137631fc88af8e [0,1,0,0,0,0|2,0,1]=4 46 B7R0.3 C#CCOC(=C)C=O ced1e021bc6a744880f2ef348f605d5b [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 C/C(=C\I)/COCF fbb2d4ba845303b213c9d89902813b40 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.3 C=C(C#N)COCC 0c840f773075998533681b448d00e61c [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 C=C(C=O)OCC#N bcebcba3ad02786b6cd38de5985d1826 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|2,0,0]=3 54 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,1,0,0,0,0|2,0,0]=3 55 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.3 C=CC(=O)NCC#N 4894e17c551632e256cc35ce056f8de6 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|1,0,0]=2 61 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,0,0,0,0|1,0,0]=2 62 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,0,0,0,0|1,0,1]=3 66 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,0,0,0,0|1,0,2]=4 77 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,1,0,0,0,0|1,0,1]=3 80 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,0,0,0,0|1,0,1]=3 81 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|1,0,1]=3 82 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,0,0,0,0|1,0,2]=4 85 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,0,0,0,0|1,0,1]=3 92 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|1,0,1]=3 93 B7R0.3 CC(=CI)COCF e6e0a6a2b924cee37e772cc08be340ea [0,1,0,0,0,0|3,0,0]=4 94 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,0,0,0,0|2,0,1]=4 96 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|1,0,2]=4 97 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|1,0,2]=4 101 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|2,0,0]=3 103 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|2,0,1]=4 106 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|2,0,1]=4 108 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,0,0,0,0|2,0,1]=4 110 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,0,0,0,0|3,0,0]=4 111 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,0,0,0,0|2,0,1]=4 112 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|0,0,2]=3 115 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|2,0,1]=4 120 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,0,0,0,0|2,0,1]=4 123 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.3 N#CCNC(=O)C=O c6fce877e18e188e69982d83ed1aa681 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|2,0,1]=4 131 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|2,0,1]=4 132 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|2,0,1]=4 133 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|2,0,1]=4 137 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|2,0,1]=4 139 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,1,0,0,0,0|2,0,0]=3 142 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.5 C=C(Br)C(=O)NC#N cb87caa23e8f5ef6b3e41e192639f33d [0,1,0,0,0,0|2,0,1]=4 146 B7R0.5 C=C(C)C(=O)NC#N 53243a1f0527c6db68336c41a3fc1ce2 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.5 C=C(Cl)C(=O)NC#N 597abaf5dee355974b26b29a8bf8be12 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.5 C=C(F)C(=O)NC#N abcb7358ec710b6455c4038389ceee89 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|1,0,2]=4 150 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|2,0,1]=4 151 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|2,0,1]=4 152 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|2,0,1]=4 153 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|2,0,1]=4 154 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.7 C/C=C/C(=O)NC#N 0ae61ad14dd91be688708d0097c2e2f5 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,1,0,0,0,0|2,0,1]=4 159 B7R0.7 C=CCC(=O)NC#N 43d8c69b65a001ff23a39dff1b44df30 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,1,0,0,0,0|2,0,1]=4 162 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|1,0,1]=3 166 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,1,0,0,0,0|2,0,1]=4 167 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,1,0,0,0,0|2,0,1]=4 169 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,0,0,0,0|0,1,2]=4 171 B7R0.7 N#CNC(=O)/C=C/Br 8762fc899c8bee976ebc0dd57f5cce6a [0,1,0,0,0,0|2,0,1]=4 172 B7R0.7 N#CNC(=O)/C=C/Cl 802834fc0ba118eddab5b1a27f5fd003 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.7 N#CNC(=O)/C=C/I 697dde87dd6876d5b64d7d68c0fae672 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.7 N#CNC(=O)/C=C\Br 07f65583368a74fc8af478eece2275dc [0,1,0,0,0,0|2,0,1]=4 175 B7R0.7 N#CNC(=O)/C=C\Cl c319a50e3d0acd9b590647ab02bf7fa9 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.7 N#CNC(=O)/C=C\I cd6f8e1d9ead8bb71a602e3301b20668 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.7 N#CNC(=O)C=CBr d5b8da3e80d80ac4f6a859f1d47f4df2 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.7 N#CNC(=O)C=CI 3b520ee0418d0eca4930052ab4dd4891 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,1,0,0,0,0|1,0,2]=4 180 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,0,0,0,0|1,0,2]=4 183 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,1,0,0,0,0|2,0,0]=3 184 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,0,0,0,0|2,0,1]=4 186 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.12 C#CC(C=C)OCF 1638b7a3d70bcf7e50d6b59cef687704 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.12 C=CC(C=C)OCF b220aa0fb5154e59155cc47011e4e4f2 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,1,0,0,0,0|1,0,1]=3 192 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 199 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,1,0,0,0,0|2,0,0]=4 201 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [1,1,0,0,0,0|2,0,0]=4 203 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|1,0,1]=4 209 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|0,0,1]=3 217 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 218 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 220 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|2,0,0]=4 222 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|0,0,1]=3 225 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|0,0,1]=3 227 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,1,0,0,0,0|1,0,1]=4 228 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|1,0,1]=4 229 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|0,0,1]=3 230 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,1,0,0,0,0|1,0,1]=4 232 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,1,0,0,0,0|1,0,1]=4 235 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,1,0,0,0,0|1,0,1]=4 237 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [1,1,0,0,0,0|0,0,2]=4 238 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|0,0,1]=3 239 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,1,0,0,0,0|0,0,1]=3 240 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,1,0,0,0,0|0,0,1]=3 241 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,1,0,0,0,0|0,0,1]=3 242 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,1]=4 243 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|0,0,1]=3 244 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,1,0,0,0,0|0,0,1]=3 247 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,1,0,0,0,0|0,0,1]=3 248 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|0,0,2]=4 249 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [1,1,0,0,0,0|1,0,1]=4 251 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|1,0,1]=4 253 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|1,0,1]=4 254 B8R0.2 C=C(Br)C(=O)N(C)CC 499ad51b72bc9fbfae6b7a8a6ef82289 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,2,0,0,0,0|1,0,0]=3 256 B8R0.2 C=C(Cl)C(=O)N(C)CC 68660d5b096ebe21061ad8093614bb89 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.2 C=C(F)C(=O)N(C)CC c4e15bc9d415156035a5b26d7d6c9574 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.2 C=CC(=O)N(C)C(C)C d4214d2e7c39dcf84b3e0ccce4689c6e [0,2,0,0,0,0|1,0,0]=3 259 B8R0.2 CC(C)N(C)C(=O)C=O f20e6cf29c8294a4acacc246f7b2680e [0,2,0,0,0,0|2,0,0]=4 260 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.2 CCN(C)C(=O)C(=O)N 7875f40b4ff30daf1968926d7731bc9e [0,2,0,0,0,0|2,0,0]=4 262 B8R0.5 C/C=C/C(C)OC(C)C 3fc3b71e5112498c32ab71ebfb48689d [0,2,0,0,0,0|1,0,1]=4 263 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.5 CC=CC(C)OC(C)C 4d526ed4c4791e35f130177176885572 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.16 C#CC(C=C)OC(C)C 70f3ae03b151359cc58599ae1dbcff59 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.16 C=CC(C=C)OC(C)C d52270769618bbb9ffdd6080fb107203 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.16 C=CC(CC)OC(C)C 54a2ef8638860ea6d3922727d18450c8 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.16 CC(C)OC(C=O)C=O ceafe81ca60845824e70266decf07fc1 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.19 C#CC(C)NC(=O)C=C 91b580668bffca2f05b2b71413cac12d [0,2,0,0,0,0|1,0,0]=3 272 B8R0.19 C#CC(C)NC(=O)C=O d0c73c46d1492db114e2e4554dd2e2f4 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.19 C#CC(C)OC(=C)C=O 72ff59a7b8bf041862425e6ee1e157bf [0,2,0,0,0,0|2,0,0]=4 274 B8R0.19 C#CC(C)OC(C)C=C 5821fa0d8044ca1cd14dc9a883f9aac7 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.19 C#CC(C)O[C@@H](C)C=C c729490699dac30c1ccb2f051ea5e786 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.19 C#C[C@@H](C)NC(=O)C=C 4e10aa5b7e00406aa31153d5f82da64a [0,2,0,0,0,0|1,0,0]=3 277 B8R0.19 C#C[C@@H](C)NC(=O)C=O fb97354d9aefdf1603d658282b2b841e [0,2,0,0,0,0|2,0,0]=4 278 B8R0.19 C#C[C@@H](C)OC(C)C=C cb635d9180603729604a3935ccdae82c [0,2,0,0,0,0|1,0,1]=4 279 B8R0.19 C#C[C@H](C)NC(=O)C=C 7a7c670e14ee2f92f22300c0761ee780 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.19 C#C[C@H](C)NC(=O)C=O 8b3a92cea3c93d40d35832a65ba42b1d [0,2,0,0,0,0|2,0,0]=4 281 B8R0.19 C#C[C@H](C)OC(C)C=C 46866a2d62cbcd93b3d4ab8ae5907f2f [0,2,0,0,0,0|1,0,1]=4 282 B8R0.19 C=C(C=O)OC(C)C#N ae3fd085eaad5d67f89cbb0689252127 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.19 C=C(C=O)OC(C)C=O 6e9083411ab06f5ff102a1878674aff6 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,2,0,0,0,0|2,0,0]=4 285 B8R0.19 C=C(C=O)O[C@H](C)C=O 3fdae7cafda354e38a1eb1ee59854785 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.19 C=CC(=O)NC(C)C#N 1d810f2436c44b6a2a3d2c44235d50de [0,2,0,0,0,0|1,0,0]=3 287 B8R0.19 C=CC(=O)NC(C)C=C 170b6644ae9ebab2675b900082989c91 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.19 C=CC(=O)NC(C)CO 7d704e5b0d02912153bbac9ab1524b4a [0,2,0,0,0,0|1,0,0]=3 290 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|1,0,0]=3 291 B8R0.19 C=CC(=O)N[C@@H](C)CO d3eebdfcf0b68fe67805ed6261019c02 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.19 C=CC(=O)N[C@H](C)CO b32e46cc4855adf1cdc7b98fc72ab8f3 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.19 C=CC(C)NC(=O)C=O 45ae257bc0e5bd779342b8ebfaf2fc32 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.19 C=CC(C)OC(=C)C=O 8c192ba855365988a6d73bd92d3bddfc [0,2,0,0,0,0|2,0,0]=4 296 B8R0.19 C=CC(C)OC(C)C#N 272a3d0a5f1504134dc933f5740bcf56 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.19 C=CC(C)OC(C)C=C c0e3cfbca0a5d666688337dd943e6d74 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.19 C=CC(C)OC(C)C=O a14f8a144662325980f92a7e34f44b0b [0,2,0,0,0,0|1,0,1]=4 299 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,2,0,0,0,0|1,0,1]=4 300 B8R0.19 C=CC(C)OC(C)CF 80a71e0ab2b4abfb59a24e3df79a0f69 [0,2,0,0,0,0|1,0,1]=4 301 B8R0.19 C=CC(C)OC(C)CS 2cc450a10d759d671dcc3fb3c455e286 [0,2,0,0,0,0|1,0,1]=4 302 B8R0.19 C=CC(C)O[C@@H](C)C=C bcef73d7927d51df0aab7940543d5d6c [0,2,0,0,0,0|1,0,1]=4 303 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.19 C=CC(C)O[C@H](C)C=O e975c1c193e8cf59eee0e378968c8133 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.19 C=CC(C)O[C@H](C)CS 30e7db33263b822e66e2cdbb0d7f9f01 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.19 C=C[C@H](C)OC(C)C#N 58a7b54afc8fae266fe543d1e9479560 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.19 C=C[C@H](C)OC(C)C=O a02b9a9621b22abf0486857e14467d72 [0,2,0,0,0,0|1,0,1]=4 309 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,2,0,0,0,0|1,0,1]=4 310 B8R0.19 C=C[C@H](C)O[C@H](C)C=O 2397bf9740e727b553b1618d19461d4c [0,2,0,0,0,0|1,0,1]=4 311 B8R0.19 CC(C#N)NC(=O)C=O 489010611344ae418a900b4290d0bf31 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.19 CC(CO)NC(=O)C=O 1c60e6f2c21701253617f70f64f6f106 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.19 C[C@@H](CO)NC(=O)C=O 7fc1349ef4b9354cd9836d7dba2b3f46 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.19 C[C@H](CO)NC(=O)C=O b148bc237154c303bdab4997b908c1ee [0,2,0,0,0,0|2,0,0]=4 318 B8R0.24 C=CC(=O)NC(C)(C)C 8353e28f0dbb50f436e41440f7cc5cd3 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.24 CC(C)(C)NC(=O)C=O bede45ff0da5a715803e62f9f77379fa [0,2,0,0,0,0|2,0,0]=4 320 B8R0.1 C#CCNC(=O)/C=C/Br 87d82d0ac71b1ff3314de3a7db746138 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.1 C#CCNC(=O)/C=C/C ec09472a6cb02fe943727aa6087ba44c [0,2,0,0,0,0|1,0,1]=4 322 B8R0.1 C#CCNC(=O)/C=C/Cl 86b48f9b3c92421ec35f1a18d3ad70c2 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.1 C#CCNC(=O)/C=C/I 72fa8b91ec52d7b89249cc0bf9e2a2b6 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.1 C#CCNC(=O)/C=C\Br 632ee8ddc38b9724d171c1b304899f6c [0,2,0,0,0,0|1,0,1]=4 325 B8R0.1 C#CCNC(=O)/C=C\Cl 24eee04b73492cfb8b6b47c693292678 [0,2,0,0,0,0|1,0,1]=4 326 B8R0.1 C#CCNC(=O)/C=C\I d0ce894488ebd14b2669ac7eaa6a7abe [0,2,0,0,0,0|1,0,1]=4 327 B8R0.1 C#CCNC(=O)C=CBr d3b1825fe73234d01678dd1743eec5e9 [0,2,0,0,0,0|1,0,1]=4 328 B8R0.1 C#CCNC(=O)C=CI 1090aabd25c41d290da4b19a9e2bb8f3 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.1 C#CCNC(=O)CC=C 91abc446f504bf9b829a1c92a8fbc312 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.1 C/C=C/C(=O)NCC#N da874d2fb0671b90a820f43ff170173d [0,2,0,0,0,0|1,0,1]=4 331 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,2,0,0,0,0|1,0,0]=3 332 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,2,0,0,0,0|1,0,0]=3 335 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,2,0,0,0,0|1,0,0]=3 337 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,2,0,0,0,0|1,0,1]=4 338 B8R0.1 C/C=C/C(C)OCCF c7f42edd3c181e39c4262c0cf6c522fc [0,2,0,0,0,0|1,0,1]=4 339 B8R0.1 C/C=C/C(C)OCCS ffa90dbc8d97398889c970ed403d64c7 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.1 C/C=C/C(C)OCOC e0edb19b0a5a02663f9d52b5b2441e89 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.1 C/C=C/C(C)OCSC 7bd1b57eaf0e1c7256baeb02ffe2e648 [0,2,0,0,0,0|1,0,1]=4 342 B8R0.1 C=CCC(=O)NCC#N 7d59503be3d5e362161b325decc69bd8 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.1 C=CCC(=O)NCCBr 88693f23f16092ca5dd266571e10a0e0 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|1,0,0]=3 345 B8R0.1 C=CCC(=O)NCCF b423ce63ff163e8a3f1e834dcf6b878a [0,2,0,0,0,0|1,0,0]=3 346 B8R0.1 C=CCC(=O)NCCI 3e84a2a94db213ccfed4bfa0a31b248c [0,2,0,0,0,0|1,0,0]=3 347 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.1 C=CCC(=O)NCCS 6f95ca251253e31286d39bbf0aa786fe [0,2,0,0,0,0|1,0,0]=3 349 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,2,0,0,0,0|1,0,1]=4 351 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,2,0,0,0,0|1,0,1]=4 353 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,2,0,0,0,0|1,0,1]=4 354 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,2,0,0,0,0|1,0,1]=4 356 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,2,0,0,0,0|1,0,1]=4 357 B8R0.1 C=CCN(C)COCC 5ff4c124ad3f579f89631f8abd7975f7 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,2,0,0,0,0|1,1,0]=4 359 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,2,0,0,0,0|1,0,1]=4 361 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,2,0,0,0,0|1,0,1]=4 363 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,2,0,0,0,0|1,0,1]=4 365 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.1 CC=CC(C)OCCF ba6301f6f87e211fb33c607df00d8a0c [0,2,0,0,0,0|1,0,1]=4 371 B8R0.1 CC=CC(C)OCCS 02646f09bd8a02cbc22c0c81965c173c [0,2,0,0,0,0|1,0,1]=4 372 B8R0.1 CC=CC(C)OCOC 1574b59a1545c116aef18dabe2c45084 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.1 CC=CC(C)OCSC 649acf68090c01608c547993a8bbff15 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,2,0,0,0,0|1,0,0]=3 375 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,2,0,0,0,0|1,0,0]=3 376 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,2,0,0,0,0|1,0,0]=3 377 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,2,0,0,0,0|1,0,0]=3 378 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,2,0,0,0,0|1,0,0]=3 381 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,2,0,0,0,0|1,0,0]=3 382 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|1,0,1]=4 383 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,2,0,0,0,0|0,0,2]=4 385 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|0,0,2]=4 386 B8R0.1 CCOC(=O)CNC#N 5d84038a545807021d0d5d796040f780 [0,2,0,0,0,0|0,0,2]=4 387 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,2,0,0,0,0|0,0,1]=3 388 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,2,0,0,0,0|0,0,2]=4 389 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,2,0,0,0,0|0,0,2]=4 390 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,2,0,0,0,0|0,0,2]=4 391 B8R0.1 CCOCC(=O)NC#N b14d7678dab8d31dfd317a29925c01b8 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|0,0,2]=4 393 B8R0.1 N#CCNC(=O)/C=C/Br ec47deeda5e8b6685dc1fcd676449123 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.1 N#CCNC(=O)/C=C/Cl 3f275f50529e9d96be0295a484aa7b63 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.1 N#CCNC(=O)/C=C/I 5481b92da4b2483206e9afe74263e871 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.1 N#CCNC(=O)/C=C\Br 61e1c884ea3e37fed2b41411017209a2 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.1 N#CCNC(=O)/C=C\Cl 786bb0fa1ed34ec9e8e055c066cb47f8 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.1 N#CCNC(=O)/C=C\I 2ff1bb43174d9ecc1b84427c2b1664e0 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.1 N#CCNC(=O)C=CBr c4b89161dde5e18f2f39e6c8ee6a8496 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.1 N#CCNC(=O)C=CI 3a69b397acf5b5e1c1d2abed504eb342 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.1 O=C(/C=C/Br)NCCBr 6d1e859859e7219fa6f719f9f20d63be [0,2,0,0,0,0|1,0,0]=3 402 B8R0.1 O=C(/C=C/Br)NCCF 43babe4709e97bb87dd0b1c290f97501 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.1 O=C(/C=C/Br)NCCI db290651b3d45800ace54bc1662c656a [0,2,0,0,0,0|1,0,0]=3 404 B8R0.1 O=C(/C=C/Br)NCCO 15955bec919debc233bf7c09714ca77c [0,2,0,0,0,0|1,0,0]=3 405 B8R0.1 O=C(/C=C/Br)NCCS e568a16b4119ada4cca36ec8f376e641 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.1 O=C(/C=C/Cl)NCCBr 730a4090c58d4da5858d56106ddf6034 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.1 O=C(/C=C/Cl)NCCF 9baf4a4f833e43cf9991b2d142fe3aa3 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.1 O=C(/C=C/Cl)NCCI 4a51903cc2078467d7d5b95aaab6a497 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.1 O=C(/C=C/Cl)NCCO 746b019c1c312969fcfe4a4bd4cb4579 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.1 O=C(/C=C/Cl)NCCS ebaf3f76b817cf6c0ee5d569d39ee8e6 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.1 O=C(/C=C/I)NCCBr a5d95d67f7fe86817428c1808d3029ec [0,2,0,0,0,0|1,0,0]=3 412 B8R0.1 O=C(/C=C/I)NCCF 9f1f89e205810f7847c982f45515b37d [0,2,0,0,0,0|1,0,0]=3 413 B8R0.1 O=C(/C=C/I)NCCI a6763c9b0009da15373e0723941d0e4f [0,2,0,0,0,0|1,0,0]=3 414 B8R0.1 O=C(/C=C/I)NCCO 142d9c49f9cc0e32e1fed19b995ab396 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.1 O=C(/C=C/I)NCCS c63d44009a9e9423041fc2622495ac37 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.1 O=C(/C=C\Br)NCCBr 548afe1cd25c86365210bf437e9eb945 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.1 O=C(/C=C\Br)NCCF 315c8225fbdbf2579d815b410e0f7b9c [0,2,0,0,0,0|1,0,0]=3 418 B8R0.1 O=C(/C=C\Br)NCCI ca67626bf6cf81d71bc7e0995378c985 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.1 O=C(/C=C\Br)NCCO 1cab061b560f2876dbc372e6b44f9dce [0,2,0,0,0,0|1,0,0]=3 420 B8R0.1 O=C(/C=C\Br)NCCS 3c5c32890df8ec6c6da81de2c929ef92 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.1 O=C(/C=C\Cl)NCCBr d9b9cc15ba4f63b2c7f1424efd7c2a7b [0,2,0,0,0,0|1,0,0]=3 422 B8R0.1 O=C(/C=C\Cl)NCCF da18e064c053dc71724c85c76fcfbc38 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.1 O=C(/C=C\Cl)NCCI 9a7e71ce904cb3d9203b1b0e88a27777 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.1 O=C(/C=C\Cl)NCCO e1a128dd2917c20378b32e2a2ac6ef54 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.1 O=C(/C=C\Cl)NCCS 9e3e405079d8ba00ef4cedcb031a68c3 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.1 O=C(/C=C\I)NCCBr 688c542731e4f949ae863737792b676d [0,2,0,0,0,0|1,0,0]=3 427 B8R0.1 O=C(/C=C\I)NCCF 511a8a4ae82aa0487b3d0c2e960aa639 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.1 O=C(/C=C\I)NCCI 4c3ceb18248bc84fb86b8481efb69610 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.1 O=C(/C=C\I)NCCO e6d4f50c53c480216a0d51f020c453d8 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.1 O=C(/C=C\I)NCCS c252a1c153f5d69267d73179b790b13c [0,2,0,0,0,0|1,0,0]=3 431 B8R0.1 O=C(C=CBr)NCCBr f7849c6b9ef60228b0f8e5c1d2b901e6 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.1 O=C(C=CBr)NCCF d8fc4aa6443932dcdf0cfb2fba20657e [0,2,0,0,0,0|1,0,0]=3 433 B8R0.1 O=C(C=CBr)NCCI 426598c64aae96127294d592c35c3efb [0,2,0,0,0,0|1,0,0]=3 434 B8R0.1 O=C(C=CBr)NCCO 324fdbd6ef48f65c1473aa11dc2da9e6 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.1 O=C(C=CBr)NCCS 622633ae69bd67969b3fa370ab6b804f [0,2,0,0,0,0|1,0,0]=3 436 B8R0.1 O=C(C=CI)NCCBr b885e032e053f56d4c5aa5fdf3745acc [0,2,0,0,0,0|1,0,0]=3 437 B8R0.1 O=C(C=CI)NCCF 013d3eb0928ca9fd5ac1ac41810f2801 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.1 O=C(C=CI)NCCI b8c1afc6919ba0246594c33e6445fec4 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.1 O=C(C=CI)NCCO 0bb4b2d1883c2de82b09efb252a154f7 [0,2,0,0,0,0|1,0,0]=3 440 B8R0.1 O=C(C=CI)NCCS f422101a0882459e9f592858e4dcb701 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.3 C#CCN(C)C(=O)C=C 359b42e7de49f6d48146ca1ef5c26b42 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.3 C/C=C/C(=O)N(C)CC 010d03e6e98c063c8118cc9246730070 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.3 C=CC(=O)N(C)CC#N 53b05bd827bf1ceb3531d77b5dd45d85 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.3 C=CC(=O)N(C)CCF b16d2ea003d5b2c85b6c28e1501fbd65 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.3 C=CC(=O)N(C)CCO 8f82665d433f37172e45b06c716f6150 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.3 C=CCC(=O)N(C)CC f1b04e365d34b887e43935a62308491d [0,2,0,0,0,0|1,0,0]=3 453 B8R0.3 C=CCN(C)C(=O)C=C de83b15d1e9e8f3f1ad9f4fa4a4cd866 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [0,2,0,0,0,0|1,0,1]=4 456 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [0,2,0,0,0,0|1,0,1]=4 457 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [0,2,0,0,0,0|1,0,1]=4 458 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.3 CCN(C)C(=O)/C=C/Br 8a2c0ee1f4f092dd32680d8af03a31cf [0,2,0,0,0,0|1,0,0]=3 460 B8R0.3 CCN(C)C(=O)/C=C/Cl 8cad8b9f53d7e4b28543392980c5b2fb [0,2,0,0,0,0|1,0,0]=3 461 B8R0.3 CCN(C)C(=O)/C=C/I 76361a75242790398d9b1d317d0571c1 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.3 CCN(C)C(=O)/C=C\Br 5f5a610d77493f1c7d4b9ce0b6bd638e [0,2,0,0,0,0|1,0,0]=3 463 B8R0.3 CCN(C)C(=O)/C=C\Cl 513096d22e746d30344840b3c10d5f0c [0,2,0,0,0,0|1,0,0]=3 464 B8R0.3 CCN(C)C(=O)/C=C\I b8fad66af41da030744f0a439b01de76 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.3 CCN(C)C(=O)C=CBr 23c21bb65f7909ccae800042910c2f8f [0,2,0,0,0,0|1,0,0]=3 466 B8R0.3 CCN(C)C(=O)C=CI 274822e56be40b2b4d454e68873b02c7 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,2,0,0,0,0|1,0,1]=4 468 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|1,0,1]=4 469 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|1,0,1]=4 470 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.3 CN(CCF)C(=O)C=O 2d4d6c036bfaae5cf5ff4b8af5585f86 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.3 CN(CCO)C(=O)C=O c424f369a46eb37de0e242add0fa3921 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.6 C#CCCNC(=O)C=C b939d01b87ba53fc2dca92965663b154 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.6 C#CCCNC(=O)C=O e9bf6e501e557dffa4e32772e34af582 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.6 C#CCCOC(=C)C=O 7bbe5f8b868bcf5d25b82d24a0865bb6 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.6 C#CCCOC(C)C=C bd80accd250ead8312285d622a47adc4 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.6 C#CCCO[C@@H](C)C=C 89452d5801aa9ec45f7b3f9c957db4c6 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.6 C/C(=C\I)/COCCF aaedfe511b03b2d75723f7815a5761ab [0,2,0,0,0,0|2,0,0]=4 479 B8R0.6 C/C(=C\I)/COCCS fd0d85a5af77b1e241814e3430a409a7 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.6 C=C(C=O)OC/C=C/C 2dcc3110c86a6a555816f9e93568f805 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.6 C=C(C=O)OC/C=C\C 93550c76437bdb34f8fb27ee7eff4467 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.6 C=C(C=O)OCCC#N d17d24c9b629b8e58808654f65738b79 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.6 C=C(C=O)OCCC=O 03e3b0f30dff9e6e201239f7fce37dcd [0,2,0,0,0,0|2,0,0]=4 484 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,2,0,0,0,0|2,0,0]=4 485 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,2,0,0,0,0|2,0,0]=4 486 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,2,0,0,0,0|2,0,0]=4 487 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,2,0,0,0,0|2,0,0]=4 488 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.6 C=CC(=O)NCC#CC 93089024d59044d937a3a42c24d29655 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.6 C=CC(=O)NCC=CC 7bfd6f39a10cac7561bd29c81bebed41 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.6 C=CC(=O)NCCC#N f1f0a8c142a34ea5f1c4e0ea42971660 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|1,0,0]=3 494 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,2,0,0,0,0|1,0,0]=3 496 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|1,0,0]=3 497 B8R0.6 C=CC(=O)NCCON b1d9c0700408229ba8c491ea013d8097 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|1,0,0]=3 499 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,2,0,0,0,0|0,0,0]=2 500 B8R0.6 C=CC(=O)NCOCF ab9486e9a88a4c5d953a1bc09f6a13d1 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,2,0,0,0,0|1,0,1]=4 502 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,2,0,0,0,0|1,0,1]=4 505 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.6 C=CC(C)NCOCC 82446d644bc5bc51b133501fed7cbaa9 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.6 C=CC(C)OC/C=C/C aebdee5aafe913b6df3bb26f25910347 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.6 C=CC(C)OC/C=C\C 3a53396281882a624be088094f92c47f [0,2,0,0,0,0|1,0,1]=4 509 B8R0.6 C=CC(C)OCC#CC 82e9de3a22e461456cf79f4ba712a618 [0,2,0,0,0,0|1,0,1]=4 510 B8R0.6 C=CC(C)OCC=CC 9191e9101695b30a824edf8bbd483f58 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.6 C=CC(C)OCCC#N 41c567b20393f731447c885d2891aa28 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,2,0,0,0,0|1,0,1]=4 513 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,2,0,0,0,0|1,0,1]=4 514 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,2,0,0,0,0|1,0,1]=4 516 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,2,0,0,0,0|1,0,1]=4 517 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.6 C=CCCNC(=O)C=C c03c9be1fac4d3551166028be61e30ef [0,2,0,0,0,0|1,0,0]=3 520 B8R0.6 C=CCCNC(=O)C=O 23097845b717dd837d809bf208462661 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.6 C=CCCOC(=C)C=O 83fe4b827a7730c3344cc57574539aea [0,2,0,0,0,0|2,0,0]=4 522 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,2,0,0,0,0|1,0,1]=4 524 B8R0.6 C=C[C@H](C)OC/C=C/C d9c811e78410ea96eb828b68e437a452 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.6 C=C[C@H](C)OC/C=C\C 736906b3237f70f0c6c14fbb4b396053 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.6 C=C[C@H](C)OCC#CC b3efbbabd1e09b25e6104725d8a15722 [0,2,0,0,0,0|1,0,1]=4 527 B8R0.6 C=C[C@H](C)OCCC#N c910e676dc005678aff7c1f27e31dd90 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,2,0,0,0,0|1,0,1]=4 529 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,2,0,0,0,0|1,0,1]=4 530 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,2,0,0,0,0|1,0,1]=4 531 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,2,0,0,0,0|1,0,1]=4 532 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.6 CC#CCNC(=O)C=O 18043b6764c6c40cc4161ee1254a0704 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.6 CC(=CI)COCCF 728c7e596887abfc1054180f8b1cfd49 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.6 CC(=CI)COCCS 98c5d098eb1a84c1c2d5016efd99b4ff [0,2,0,0,0,0|2,0,0]=4 538 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|0,0,2]=4 540 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|0,0,2]=4 541 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|0,0,2]=4 542 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|0,0,2]=4 543 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|2,0,0]=4 544 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,2,0,0,0,0|2,0,0]=4 545 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,2,0,0,0,0|2,0,0]=4 546 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|0,0,2]=4 548 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|1,0,1]=4 549 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,2,0,0,0,0|1,0,1]=4 555 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,2,0,0,0,0|1,0,1]=4 557 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|1,0,1]=4 559 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.6 COCOC/C(=C/Cl)/Cl 38caaaad29262daf3069ae71cb69d68b [0,2,0,0,0,0|2,0,0]=4 561 B8R0.6 COCOC/C(=C/I)/C 9c3a0e5b5fdf8dde2a4fa241cbf61725 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.6 COCOCC(=CI)C 74f86c9933b6b6c9ca0622257ad69da2 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|1,0,1]=4 564 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,2,0,0,0,0|2,0,0]=4 566 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.6 FCCOC/C(=C/Cl)/Cl 4d1474f801560beb557daa20d22d8367 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.6 N#CCCNC(=O)C=O 92b2be929382eebf0729bd6959b1bae3 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.6 NOCCNC(=O)C=O f5610ceeebf529895b18c2be26cd2513 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,2,0,0,0,0|2,0,0]=4 571 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.6 SCCOC/C(=C/Cl)/Cl 2c38717eb90ed26e99fb6dd570199d7b [0,2,0,0,0,0|2,0,0]=4 573 B8R0.8 C#CCNC(=O)C(=C)Br 75774325e80d395f40f291c6573722ed [0,2,0,0,0,0|1,0,1]=4 574 B8R0.8 C#CCNC(=O)C(=C)C f4386da108132dfdb098612a421c55a3 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.8 C#CCNC(=O)C(=C)Cl 6bec4d366069ace6636a90bda8e6a6d4 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.8 C#CCNC(=O)C(=C)F ed883392cca9294c7a9fda195f205ec6 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.8 C=C(Br)C(=O)NCC#N b52924ba37e57878111083f09703120c [0,2,0,0,0,0|1,0,1]=4 578 B8R0.8 C=C(Br)C(=O)NCCBr 1cf1d8b5cd8563492f30f956f43e2ab7 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,2,0,0,0,0|1,0,0]=3 580 B8R0.8 C=C(Br)C(=O)NCCF 3c02adb104912e5424a6eb6de03686c3 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.8 C=C(Br)C(=O)NCCI 96255163c71023f6491b40084ff6d917 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.8 C=C(Br)C(=O)NCCO 54239496ea74d37e783452d70b9a9836 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.8 C=C(Br)C(=O)NCCS 80189983f4c9e177df01419d81f9075c [0,2,0,0,0,0|1,0,0]=3 584 B8R0.8 C=C(C)C(=O)NCC#N 561d6f83173e0b64a4547edc0a2b561b [0,2,0,0,0,0|1,0,1]=4 585 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,2,0,0,0,0|1,0,0]=3 586 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,2,0,0,0,0|1,0,0]=3 589 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,2,0,0,0,0|1,0,0]=3 590 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.8 C=C(Cl)C(=O)NCC#N 9190169e28bfabe936b720ebcf3c1f9f [0,2,0,0,0,0|1,0,1]=4 593 B8R0.8 C=C(Cl)C(=O)NCCBr 1548638d4b2103034fbaad74a93ac845 [0,2,0,0,0,0|1,0,0]=3 594 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.8 C=C(Cl)C(=O)NCCF 5bf7f0a7c1d96df9b75ad453b4b4c5f6 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.8 C=C(Cl)C(=O)NCCI fc596b5a100e2ed820703522d6f6c0a0 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.8 C=C(Cl)C(=O)NCCO 437a1b3db660e72eaedf871e5413f921 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.8 C=C(Cl)C(=O)NCCS 008350a5c8d945574ace62f36d2369da [0,2,0,0,0,0|1,0,0]=3 599 B8R0.8 C=C(F)C(=O)NCC#N 8b1c41d79fe21715d252848600932b8d [0,2,0,0,0,0|1,0,1]=4 600 B8R0.8 C=C(F)C(=O)NCCBr 0ce9ff02c240164602d9923e9910dcdd [0,2,0,0,0,0|1,0,0]=3 601 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.8 C=C(F)C(=O)NCCF cd4fc502548226d8c7f7b9775519092f [0,2,0,0,0,0|1,0,0]=3 603 B8R0.8 C=C(F)C(=O)NCCI a85d96b49fa8f9f5a0fff4a2859988c1 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.8 C=C(F)C(=O)NCCO a433f83071990a76ceeb373774986262 [0,2,0,0,0,0|1,0,0]=3 605 B8R0.8 C=C(F)C(=O)NCCS b925e9e9a4b554836e4d4d833a2036a7 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,2,0,0,0,0|1,0,1]=4 611 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.8 NC(=O)C(=O)NCCBr 759555cfe18ab185527b6dd88250fe2a [0,2,0,0,0,0|2,0,0]=4 615 B8R0.8 NC(=O)C(=O)NCCF 8d16443f3a53d655d6edb5a8c0f19f14 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.8 NC(=O)C(=O)NCCI 0aa2ec4d4ec4da702777f87d741676b9 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.8 NC(=O)C(=O)NCCO 10353f6c195c1dd5d3db75345c6400fc [0,2,0,0,0,0|2,0,0]=4 618 B8R0.8 NC(=O)C(=O)NCCS 1e7a32aeffd987cdf7d4d7b438dcfd82 [0,2,0,0,0,0|2,0,0]=4 619 B8R0.9 C/C(=C\I)/COC(C)C f716be383319fbdddc5fe6a0c6ba24d8 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.9 C=C(C)CNC(=O)C=O e25a86e0bb63ccbe7ba4554fc95b9a26 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [0,2,0,0,0,0|2,0,0]=4 622 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,2,0,0,0,0|2,0,0]=4 623 B8R0.9 C=C(C=O)OCC(F)F 73eadecdbdffa258791563c37e170ec8 [0,2,0,0,0,0|2,0,0]=4 624 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,2,0,0,0,0|2,0,0]=4 625 B8R0.9 C=CC(=O)NCC(=C)Br 2e21d26328f782b9e48aebcf69e49a2d [0,2,0,0,0,0|1,0,1]=4 626 B8R0.9 C=CC(=O)NCC(=C)C 7a9df38faaf26b94fb6f7de2a447189d [0,2,0,0,0,0|1,0,0]=3 627 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.9 C=CC(=O)NCC(=O)N 20b8ac41e9b4db2afe985e4cd5c593a7 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,2,0,0,0,0|1,0,0]=3 630 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,2,0,0,0,0|1,0,0]=3 631 B8R0.9 C=CC(=O)NCC(F)F 25fc2e83d102e9355f38a61c7a14ea6a [0,2,0,0,0,0|1,0,0]=3 632 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,2,0,0,0,0|1,0,0]=3 633 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,2,0,0,0,0|1,0,0]=3 634 B8R0.9 C=CC(C)COC(C)C 19cf5fe9d616c2621a235c9cc79e808d [0,2,0,0,0,0|1,0,1]=4 635 B8R0.9 C=CC(C)OCC(=C)C 0d3391aea882dd5c3878f3b3d582478c [0,2,0,0,0,0|1,0,1]=4 636 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,2,0,0,0,0|1,0,1]=4 637 B8R0.9 C=CC(C)OCC(C)C 71af5c71e84583a0ab5121668b3ae2e9 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.9 C=CC(C)OCC(C)F 0042c0a7d8106728b1eea817db903cdd [0,2,0,0,0,0|1,0,1]=4 639 B8R0.9 C=CC(C)OCC(C)S e29952298d4142c307e95f6fe542e21e [0,2,0,0,0,0|1,0,1]=4 640 B8R0.9 C=CC(C)OCC(F)F b9bca156f0ef2232e6a9add62a919f15 [0,2,0,0,0,0|1,0,1]=4 641 B8R0.9 C=CC(C)OCN(C)C 3433af02a0a20dd7a0746ce0bc4549e6 [0,2,0,0,0,0|1,0,1]=4 642 B8R0.9 C=CC(C)OC[C@@H](C)F d2223c8cf7072146d3527eed3a3a161d [0,2,0,0,0,0|1,0,1]=4 643 B8R0.9 C=CC(C)OC[C@H](C)F 5080369e03b7a37278437f5c44a0145f [0,2,0,0,0,0|1,0,1]=4 644 B8R0.9 C=C[C@H](C)OCC(=C)C 36bf8fb48505495f4a9f1836e7a25b25 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.9 C=C[C@H](C)OCC(C)C 275b6c20fe3580ee4a4871d9838c8c79 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.9 C=C[C@H](C)OCC(F)F c450cffaa8f3f925bca0f143542c7ad5 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.9 C=C[C@H](C)OCN(C)C 6c737237117448901a74fb150c9f766a [0,2,0,0,0,0|1,0,1]=4 648 B8R0.9 CC(=CI)COC(C)C 3ff8a12ae361c0854728a2bce17c2863 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.9 CC(C)OC/C(=C/Cl)/Cl 517384b2245fa09e14e9ca494cc154a8 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,2,0,0,0,0|0,0,2]=4 654 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,2,0,0,0,0|1,0,1]=4 655 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,2,0,0,0,0|2,0,0]=4 657 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.9 O=CC(=O)NCC(F)F b13aac2bea1bbf6e20c654e0647c419b [0,2,0,0,0,0|2,0,0]=4 659 B8R0.11 C#CC(C=C)OCCC 014d44756b52de3dcfb3ac07bca77abe [0,2,0,0,0,0|1,0,1]=4 660 B8R0.11 C#CC(C=C)OCCF 01c73c4fdf0bfc2cbb71eda8f9ad49e5 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.11 C#CC(C=C)OCCS 44a1ebe442ddd67d72e6af6aa9dddbb7 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.11 C#CC(C=C)OCOC c55ef1d2844bbc2e6ac1940ecbe62148 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.11 C#CC(C=C)OCSC 5ac63bed14acf9d4302d27508fd8b8c6 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.11 C=CC(C=C)OCCC 0eb8e1875fc000470def9b6dcff1b924 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.11 C=CC(C=C)OCCF 353936957364b759bb77d9d6d693be37 [0,2,0,0,0,0|1,0,1]=4 666 B8R0.11 C=CC(C=C)OCCS 36374a312a29017e27cd90441c86ce97 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.11 C=CC(C=C)OCOC 5666c635c087a4e11ddbf21c90e2c7df [0,2,0,0,0,0|1,0,1]=4 668 B8R0.11 C=CC(C=C)OCSC 26192961af28ce70a8cc356e931c2a5b [0,2,0,0,0,0|1,0,1]=4 669 B8R0.11 C=CC(CC)OCCC 105fea4587e7e9d452a89f90aa2748e8 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.11 C=CC(CC)OCCF 111d3d9408db9e7004d21878ee3769fd [0,2,0,0,0,0|1,0,1]=4 671 B8R0.11 C=CC(CC)OCCS 609e6a905685795ee0729035c337410f [0,2,0,0,0,0|1,0,1]=4 672 B8R0.11 C=CC(CC)OCOC 2705b37ec86e92e63729e769ccc0ecb9 [0,2,0,0,0,0|1,0,1]=4 673 B8R0.11 C=CC(CC)OCSC 8ad41cd97e56cb5ea78fa59e1c98869b [0,2,0,0,0,0|1,0,1]=4 674 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,2,0,0,0,0|1,0,1]=4 675 B8R0.11 COCOC(C=O)C=O aa3f30c65a64948503232416341946a8 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.11 O=CC(C=O)OCCF 37357cb7cdfa28efb942221cccc4de42 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.11 O=CC(C=O)OCCS d4142d837105a4bd3b4059e44c373802 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.25 C=CC(C)(C)COCC 092152ae0505f84656e6afc6a71d8bf4 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,2,0,0,0,0|0,0,1]=3 680 B8R0.15 C/C=C(\OCF)/C(=O)O af209843a60ee7b531c468eec34edb23 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,2,0,0,0,0|1,0,1]=4 682 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [0,2,0,0,0,0|1,0,1]=4 683 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.22 C=CC(CC#N)OCC 6d7720c623083fa33dbc7137d4f81f0f [0,2,0,0,0,0|1,0,1]=4 685 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,2,0,0,0,0|1,0,1]=4 686 B8R0.22 C=CCC(C=C)OCC 5d0bf26e0c4bee7b3d9e9113ae9cf8eb [0,2,0,0,0,0|1,0,1]=4 687 B8R0.22 C=CCN(C=O)CCC 8915f0bd4ca3257466688dc7b8e97b40 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.40 C=C(C=O)OC1CC1 b9ffb3a59a8a9a3920997cae2c377c7b [0,1,0,1,0,0|2,0,0]=4 689 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|1,0,0]=3 690 B8R1.40 C=CC(C)OC1CC1 c4555d3282a816c367083c1a03c48a68 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.40 C=C[C@H](C)OC1CC1 aee4e5bffcd126c9d1f0f3e9ad16a764 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,1,0,1,0,0|2,0,0]=4 693 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [0,1,0,1,0,0|1,1,0]=4 699 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [0,1,0,1,0,0|1,0,1]=4 700 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [0,1,0,1,0,0|1,1,0]=4 701 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [0,1,0,1,0,0|1,1,0]=4 703 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [0,1,0,1,0,0|1,1,0]=4 704 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [0,1,0,1,0,0|1,0,1]=4 708 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [0,1,0,1,0,0|1,1,0]=4 709 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,1,0,1,0,0|1,0,1]=4 710 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,1,0,1,0,0|1,0,1]=4 711 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,1,0,1,0,0|0,0,1]=3 713 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [0,1,0,1,0,0|0,1,0]=3 714 B8R1.8 CCOc1ccn[nH]1 945a2fb7b2311859d19fa2575122eac5 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [0,1,0,1,0,0|0,1,0]=3 716 B8R1.8 CCOc1cn[nH]c1 52d616a1a3f747120e4f737d6e118b37 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.8 CCOc1cnoc1 71780b3f37fd1dd55c042a85806d3464 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.8 CCOc1cnsn1 cbc3d4fcb65623e96692df78fdd7dcfd [0,1,0,1,0,0|1,1,0]=4 719 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [0,1,0,1,0,0|0,1,0]=3 720 B8R1.8 CCOc1nncs1 e127a60b711c378b5df75f4dfb79580f [0,1,0,1,0,0|1,1,0]=4 721 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [0,1,0,1,0,0|2,0,0]=4 722 B8R1.8 CCOn1ccnc1 921caec73394249c90584a8e262f5331 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.8 FCOc1c[nH]cn1 83ef801dce93fa6d3822b836ca187583 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [0,1,0,1,0,0|1,1,0]=4 726 B8R1.8 FCOc1ccn[nH]1 76b583cee1058f2c94eb53920a041371 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.8 FCOc1ccsc1 2b33af6cc138952fed6ef6cce321adfb [0,1,0,1,0,0|1,1,0]=4 728 B8R1.8 FCOc1nccs1 52842efe331bbe4c67721511b2fb7550 [0,1,0,1,0,0|1,1,0]=4