0 B11R1.83 C#Cc1ccc(cc1)NCC fcc2f797143393a826235cab51016e1d [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 C#Cc1ccc(cc1)NCF 8acf2fe17a846fc863343c0fcd296756 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 C#Cc1ccc(cc1)NCO 3d10c20a6b1713d8b2b199c513c3821e [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 C#Cc1ccc(cc1)OCC 7605fc1756b7b37617def1215e5772aa [0,0,0,0,0,0|1,0,1]=2 4 B11R1.83 C#Cc1ccc(cc1)OCF aee315f803dafc5530067ae9183b1e0d [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 C#Cc1ccc(cn1)NCC b48f6d0500c1473545d62653eaeca02a [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 C#Cc1ccc(nc1)NCC a8d5161e9e45130cc8c07c6910a92c22 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 C#Cc1ccc(nc1)OCC a912c525867d50c0edf1252809763398 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.83 C#Cc1ccc(nc1)OCF 2768ab1e979d46d73fb6199ec6994f3a [0,0,0,0,0,0|3,0,1]=4 9 B11R1.83 C=Cc1ccc(cc1)NCC 817ec74810f825a0e36709628dff4396 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.83 C=Cc1ccc(cc1)NCF 0a4b6dd3c2bcc6ff056575d646b45479 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.83 C=Cc1ccc(cc1)NCO 38b24d34161eea2db824a391ffef5464 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.83 C=Cc1ccc(cc1)OCC 2dfc252e05f2c69f9afd57ad07934f94 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.83 C=Cc1ccc(cc1)OCF 1caa6521b77ee34492a62573e025620c [0,0,0,0,0,0|2,0,0]=2 14 B11R1.83 C=Cc1ccc(nc1)NCC 38b06eabaa1490c709e67ef96f75cf12 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.83 C=Cc1ccc(nc1)NCF 52685da0a86456e01f8fb71a0dc0b6c7 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.83 C=Cc1ccc(nc1)NCO 50082f71b9e60774e6a4f0659d3b1b3b [0,0,0,0,0,0|4,0,0]=4 17 B11R1.83 C=Cc1cnc(nc1)NCC afdd5bb13282ac2192f0934089d33a33 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.83 CCNc1ccc(cc1)C#N d464195f47e6ee547243ae4d17a8adf2 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.83 CCNc1ccc(cc1)C=O 5b1da36ecdd403f54386923bf3cd85f6 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.83 CCNc1ccc(cc1)CC 6ead712ee50631311185c30d29cb552f [0,0,0,0,0,0|2,0,1]=3 21 B11R1.83 CCNc1ccc(cc1)CO ebf5cabcdccf03d422420491e8a9bb88 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.83 CCNc1ccc(cc1)OC a4b97f177bf546e094eec7eb3e7f66dd [0,0,0,0,0,0|3,0,0]=3 23 B11R1.83 CCNc1ccc(cc1)SC 2ca52da4c1da9cde62caa1a44419ff80 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.83 CCNc1ccc(cn1)C#N b4d0af44e32af244fde054f16cbf16e6 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.83 CCNc1ccc(cn1)C=O dd4312795d8088c2d75d58fa4a7fbc09 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.83 CCNc1ccc(cn1)CC cad7e7c9618f49cd6e892139204329fd [0,0,0,0,0,0|3,0,1]=4 27 B11R1.83 CCNc1ccc(cn1)CCl bad0456b7ad899482cd7abdb1d9f5c14 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.83 CCNc1ccc(cn1)CO b2ef5ebdae0d4db3d201310de7a4fabc [0,0,0,0,0,0|2,0,2]=4 29 B11R1.83 CCNc1ccc(cn1)OC c44cfeb78976afe80be2656977c9bd4f [0,0,0,0,0,0|4,0,0]=4 30 B11R1.83 CCNc1ccc(nc1)C#N 7bdef527cd53c10e5e168407ba8e41d7 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.83 CCNc1ccc(nc1)C=O e9ae26db13ed7f812a2c4aa039ca3f6c [0,0,0,0,0,0|2,0,0]=2 32 B11R1.83 CCNc1ccc(nc1)CC ed0545ed4f0e08858b4cafb53becfa48 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.83 CCNc1ccc(nc1)CO 32decdece1ae877da592fbfd6271fbb9 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.83 CCNc1ccc(nc1)OC f4d105155d62bf756f43e6962da94cad [0,0,0,0,0,0|4,0,0]=4 35 B11R1.83 CCNc1ccc(nc1)SC e4f4528d7c9516b9369a516dc3c25bff [0,0,0,0,0,0|4,0,0]=4 36 B11R1.83 CCNc1cnc(cn1)C=O 453fe06af65607cc6c41deed5c412d94 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.83 CCNc1ncc(cn1)C=O 583d2a6d5769f6435b4c5bc3ed719aed [0,0,0,0,0,0|3,0,0]=3 38 B11R1.83 CCOc1ccc(cc1)C#N 9b013ab74d3621a0af682769151817d3 [0,0,0,0,0,0|1,0,1]=2 39 B11R1.83 CCOc1ccc(cc1)C=O a91e11e6046c836fde6a9c8c50bcee5f [0,0,0,0,0,0|0,0,0]=0 40 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [0,0,0,0,0,0|1,0,1]=2 41 B11R1.83 CCOc1ccc(cc1)N=O 225b842c68d4b1757d171cfe2fef0d02 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [0,0,0,0,0,0|2,0,0]=2 43 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.83 CCOc1ccc(cn1)C#N 80958719ab89ca438777f7f342100b12 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.83 CCOc1ccc(cn1)C=O 3b8b64fa974f689fe9a33594fdaa0596 [0,0,0,0,0,0|1,0,0]=1 46 B11R1.83 CCOc1ccc(cn1)CC 6d51854703469b0768698f622026110f [0,0,0,0,0,0|2,0,1]=3 47 B11R1.83 CCOc1ccc(cn1)OC 317a1dd4ab9e793923d1d905a3d1d440 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.83 CCOc1ccc(nc1)C#N 6c570cf21a413fd4c6ff19c3a676637f [0,0,0,0,0,0|2,0,1]=3 49 B11R1.83 CCOc1ccc(nc1)C=O 202597c6655fff3a69ca3db66d69956a [0,0,0,0,0,0|1,0,0]=1 50 B11R1.83 CCOc1ccc(nc1)OC 2366f122826286c6a23f77bfc0704bc4 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.83 CCOc1ccc(nc1)SC b9a09235c2254d468c46a6675ec10ee5 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.83 CCOc1ccc(nn1)C=O 4e29dcecb02e5059f2afcc4239a5eefc [0,0,0,0,0,0|2,0,0]=2 53 B11R1.83 CCOc1cnc(cn1)CC e954624381e3b869dac32b01820557f8 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.83 CCOc1cnc(nc1)C#N 92cfc40168ce6fc9292198927de1003c [0,0,0,0,0,0|3,0,1]=4 55 B11R1.83 CCOc1cnc(nc1)CF 3fee3381c1c6d5efb37ec2b4e7679ae3 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.83 CCOc1cnc(nc1)OC 4d20e0e82d1b41d74367ad3908dd935c [0,0,0,0,0,0|4,0,0]=4 57 B11R1.83 CCOc1cnc(nc1)SC 84e278a931a0822fac52e4e636de3e25 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.83 CCOc1ncc(cn1)C#N 8d8a4fd415f783cf34158b79e5f4c84a [0,0,0,0,0,0|3,0,1]=4 59 B11R1.83 CCOc1ncc(cn1)C=O 41202a4922bca945b17b16afac38237d [0,0,0,0,0,0|2,0,0]=2 60 B11R1.83 CCc1ccc(cc1)NCF 85d93b0251dae4defb6a8b0684fd5c6f [0,0,0,0,0,0|3,0,1]=4 61 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [0,0,0,0,0,0|3,0,1]=4 62 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [0,0,0,0,0,0|2,0,1]=3 63 B11R1.83 CCc1ccc(nc1)OCF 6eb78db6499845fb8aaa997c84af7389 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.83 COc1ccc(cc1)NCF d45382bc213abd913ca6658bada7be75 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.83 COc1ccc(cn1)OCF 52c7d05416d2e2398b33c9d89007009a [0,0,0,0,0,0|4,0,0]=4 68 B11R1.83 COc1ccc(nc1)OCF 4bc4bb56cbf9916e2cdbb0ffc7417346 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.83 CSc1ccc(cc1)NCF ccdeb19563ab831152cacec8a4c44c6e [0,0,0,0,0,0|4,0,0]=4 70 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [0,0,0,0,0,0|3,0,0]=3 72 B11R1.83 CSc1ccc(cn1)OCF ec77fac3ac2d82249e3936e0e8debca0 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.83 N#Cc1ccc(cc1)NCF a26c49ae1ca77d92ac427b1103d9b4da [0,0,0,0,0,0|3,0,1]=4 74 B11R1.83 N#Cc1ccc(cc1)NCO 8aa8cbbcf93221243fa8bcf461b6f0af [0,0,0,0,0,0|3,0,1]=4 75 B11R1.83 N#Cc1ccc(cc1)OCF bcd0ae2cb5810bd40e4bba884acde04f [0,0,0,0,0,0|2,0,1]=3 76 B11R1.83 N#Cc1ccc(cn1)OCF ac4642ea420fbb68a3699d2a5055c1d4 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.83 N#Cc1ccc(nc1)OCF 632b052374502557608427c232505ba1 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.83 O=CNc1ccc(nc1)C=O 689a2f10765d3e5001b632e5d99c0461 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.83 O=Cc1ccc(cc1)NCF 6e9507808f661692c4995ce01d7149d7 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.83 O=Cc1ccc(cc1)NCO 5d1b19988396e75b9401946c178d10c0 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.83 O=Cc1ccc(cc1)OCF 1650bb97f47d4d35a5c8149a03d0d3f8 [0,0,0,0,0,0|1,0,0]=1 82 B11R1.83 O=Cc1ccc(cn1)NCF 72bc126bbd4bfcffb3b226662f3e38c0 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.83 O=Cc1ccc(cn1)NCO 788d6f4633f44c97a001f4d759d59a7c [0,0,0,0,0,0|3,0,0]=3 84 B11R1.83 O=Cc1ccc(cn1)OCF c94a6b209178c693c56e3e32144380b4 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.83 O=Cc1ccc(nc1)NCF f1bfde05b648245a2d8978d1a14a3f7a [0,0,0,0,0,0|3,0,0]=3 86 B11R1.83 O=Cc1ccc(nc1)NCO 7224f6f28fcf8d6ba77bb1da54e1ed73 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.83 O=Cc1ccc(nc1)OCF 10cafffee4c0f03191e10584fbcd9110 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.83 O=Cc1ccc(nn1)OCF 8023d036d6e772af3543aa1f2257f039 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.83 O=Cc1cnc(cn1)NCF 7b480f37026445bef475024df4134b08 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.83 O=Cc1cnc(cn1)NCO d72de2d95bed596c8d79bca0b7ee81b4 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.83 O=Cc1cnc(nc1)NCF e3dd8d533ecef88d0b7f774b889ae96d [0,0,0,0,0,0|4,0,0]=4 92 B11R1.83 O=Cc1cnc(nc1)NCO 6381accd90e3d7b791aa5bff80895294 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.83 O=Cc1cnc(nc1)OCF cea295a9d67048c5cfc9951328f365b5 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.83 O=Nc1ccc(cc1)OCF 4703797660d3f0cf5ebd83d127a70814 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.83 OCNc1ccc(cc1)CO 06500d7c83368639569a416a5b107792 [0,0,0,0,0,0|2,0,2]=4 96 B11R1.83 OCc1ccc(cc1)NCF 218f158d350783ab9345a7da23e59114 [0,0,0,0,0,0|2,0,2]=4 97 B10R1.1 CCNc1ccc(=O)[nH]c1 cda5f6466914b9089a8f399c4d41b9f1 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,0,0,0,0,0|2,0,0]=3 102 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,0,0,0,0,0|2,0,0]=3 103 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,0,0,0,0,0|1,1,0]=3 104 B10R1.1 CCNc1ccc(cn1)Br 639f883e838120d440c275f266387630 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,0,0,0,0,0|2,0,1]=4 106 B10R1.1 CCNc1ccc(cn1)Cl 86942235d68fec688c4d98a640636bda [1,0,0,0,0,0|3,0,0]=4 107 B10R1.1 CCNc1ccc(cn1)F bc6bc6f1cc565acba301cdb52762e02f [1,0,0,0,0,0|3,0,0]=4 108 B10R1.1 CCNc1ccc(cn1)I 52b76d004d4ec36a1450a88eb15ee235 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,0,0,0,0,0|3,0,0]=4 112 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,0,0,0,0,0|3,0,0]=4 113 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.1 CCNc1cnc(=O)[nH]c1 8ff4830f2b9c404e1f8152e288d7f2ab [1,0,0,0,0,0|3,0,0]=4 115 B10R1.1 CCOC1C=CC(=O)CO1 e4144717950b2a41c687bf170e857eac [1,0,0,0,0,0|1,0,2]=4 116 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,0,0,0,0,0|0,0,1]=2 118 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,0,0,0,0,0|1,0,0]=2 120 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,0,0,0,0,0|1,0,0]=2 121 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,0,0,0,0,0|0,1,0]=2 122 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,0,0,0,0,0|1,0,1]=3 123 B10R1.1 CCOc1ccc(cn1)Cl cd4f070a79f4939e7eca32fa7a8d0e7f [1,0,0,0,0,0|2,0,0]=3 124 B10R1.1 CCOc1ccc(cn1)F b50f8cb60dc9806fa9d9175eac7405e9 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.1 CCOc1ccc(cn1)I 134eef0ef437844eb5a79430a3f4f022 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,0,0,0,0,0|2,0,0]=3 127 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,0,0,0,0,0|1,0,1]=3 128 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.1 CCOc1ccc(nn1)Br aa3efeb23c5d2c39f110d43a02a7d163 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.1 CCOc1ccc(nn1)C ee9fd1014ff64a75b92c11dd9cb2cc10 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.1 CCOc1ccc(nn1)Cl e6c7617f85409e01211416488dbdaaeb [1,0,0,0,0,0|3,0,0]=4 134 B10R1.1 CCOc1cnc(cn1)Br 83cb7a09f1f3b33c9793e617c55d72e4 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.1 CCOc1cnc(cn1)C a6786d3b21f17a52c07e0a7cd8d71436 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.1 CCOc1cnc(cn1)Cl 76caff5da4dacc7bb582efd551ad366e [1,0,0,0,0,0|3,0,0]=4 137 B10R1.1 CCOc1cnc(cn1)I 974b9f18a3a0669671ad64bfebfa9c92 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.1 CCOc1cnc(nc1)Br fa2c0fdb7e883c6004d644fad185f6d3 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.1 CCOc1cnc(nc1)C d7956e7814c65fdaee661cddc1d6f6d3 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.1 CCOc1cnc(nc1)Cl 72d1b4ea92a00fe1e697303076b2bf21 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.1 CCOc1ncc(cn1)Br f2af67c3da219d39304c6a9d51d28848 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.1 CCOc1ncc(cn1)C 56af84268e29eb3d38823688824a5b11 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.1 CCOc1ncc(cn1)F 6348467aae55545bc3c0f026dd5f71d7 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.1 CCOc1ncc(cn1)I a18941d69d14d35a42d1ea0119275f85 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,0,0,0,0,0|1,0,1]=3 148 B10R1.1 Cc1ccc(cn1)OCF 74689607a43c2a9e18ce0cd22a8d942d [1,0,0,0,0,0|2,0,1]=4 149 B10R1.1 Cc1ccc(nc1)OCF 17072532157ece6c6315bad9dab956ea [1,0,0,0,0,0|2,0,1]=4 150 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,0,0,0,0,0|3,0,0]=4 153 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,0,0,0,0,0|2,1,0]=4 155 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,0,0,0,0,0|2,0,0]=3 157 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,0,0,0,0,0|2,0,0]=3 158 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,0,0,0,0,0|1,1,0]=3 160 B10R1.1 FCOc1ccc(cn1)Cl 61f6fd78e0abeeb2eb97b4aa2b12a9c9 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.1 FCOc1ccc(cn1)F b1e868aec0faffebe89225e907274205 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.1 FCOc1ccc(cn1)I 00c1ef2fd48be5d55550cc9694fd8f08 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.1 FCOc1ccc(nc1)Br e3796b17ff3d2d2dd46e80f84fb6187d [1,0,0,0,0,0|3,0,0]=4 164 B10R1.1 FCOc1ccc(nc1)Cl 70a5644c7430704168998528ea5ce13b [1,0,0,0,0,0|3,0,0]=4 165 B10R1.1 FCOc1ccc(nc1)F 77ab35a2a6dcafe96de60a2128f5fe49 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.1 FCOc1ccc(nc1)I 03bd4c63f213b54e5f564a7a1a2fd6ff [1,0,0,0,0,0|3,0,0]=4 167 B10R1.1 O=c1ccc(c[nH]1)NCF 71b898b20012e241ac720b84250f933c [1,0,0,0,0,0|3,0,0]=4 168 B10R1.1 O=c1ccc(c[nH]1)NCO 6c49f3fcbfcda41856e9a3ef89f0e0b2 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,0,0,0,0,0|3,0,0]=4 170 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,0,0,0,0,0|3,0,0]=4 173 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,0,0,0,0,0|2,1,0]=4 174 B12R1.4 C#Cc1ccc(cc1)NC(C)C faa63853dbda923b2c126c30ff9bfa23 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.4 C#Cc1ccc(cc1)OC(C)C e3463961332c304b58817ff8d4b0b05b [0,1,0,0,0,0|1,0,1]=3 176 B12R1.4 C#Cc1ccc(nc1)OC(C)C 4391ceba5f5289a90ee935ea4c3784b7 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.4 C=Cc1ccc(cc1)NC(C)C 21a2df0a267e794d3f3240b8e563ad23 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.4 C=Cc1ccc(cc1)OC(C)C c83cc47632832c79bb2fdd3080632eb6 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.4 C=Cc1ccc(nc1)NC(C)C 7e77370acfc8cab93a846382ec375567 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,1,0,0,0,0|1,0,1]=3 182 B12R1.4 CC(=O)Nc1ccc(cn1)C=O 07c27ee782d250b37088a4ef3a24f42a [0,1,0,0,0,0|2,0,1]=4 183 B12R1.4 CC(=O)Nc1ccc(nc1)C=O 49e7cf4a9ba9e149eb2971e237e58703 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a536a6643fc1e460a58fed59492391 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.4 CC(C)Nc1ccc(cc1)C=O 62ba5962698d35c68b71a115e0b568ab [0,1,0,0,0,0|1,0,0]=2 186 B12R1.4 CC(C)Nc1ccc(cc1)CO 2893829c5855e3498ec30daf5a92b3f9 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.4 CC(C)Nc1ccc(cn1)C=O c905645683820d20a01ce77b17f9ce6b [0,1,0,0,0,0|2,0,0]=3 188 B12R1.4 CC(C)Nc1ccc(nc1)C=O 0ea93230a92b171687c3dbcbb8c869fc [0,1,0,0,0,0|2,0,0]=3 189 B12R1.4 CC(C)Nc1cnc(cn1)C=O 2a326d38420b9bd6be4f89bdc6f8148e [0,1,0,0,0,0|3,0,0]=4 190 B12R1.4 CC(C)Nc1ncc(cn1)C=O 96427161bd5df79d9b1866f53bfadf55 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.4 CC(C)Oc1ccc(cc1)C#N 847015a9d4bd458f57d946e8956cc9c1 [0,1,0,0,0,0|1,0,1]=3 192 B12R1.4 CC(C)Oc1ccc(cc1)C=O 2397d983c0762938a0582225e128d3b0 [0,1,0,0,0,0|0,0,0]=1 193 B12R1.4 CC(C)Oc1ccc(cc1)N=O e461c6ac1751e2be8c322e20efd1c111 [0,1,0,0,0,0|1,0,0]=2 194 B12R1.4 CC(C)Oc1ccc(cn1)C#N 7c9bfc07996e71613d168377ef1bb08c [0,1,0,0,0,0|2,0,1]=4 195 B12R1.4 CC(C)Oc1ccc(cn1)C=O bd1ce5340c4711a9faef60a6c5e0d92e [0,1,0,0,0,0|1,0,0]=2 196 B12R1.4 CC(C)Oc1ccc(nc1)C#N a9a35fb8783ffcac2965b83de803b107 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.4 CC(C)Oc1ccc(nc1)C=O 6bb7bf8fb082dfb640d3f4945d00337a [0,1,0,0,0,0|1,0,0]=2 198 B12R1.4 CC(C)Oc1ccc(nn1)C=O 74eb9c0dc7df37a018257696f9c22d2c [0,1,0,0,0,0|2,0,0]=3 199 B12R1.4 CC(C)Oc1ncc(cn1)C=O ae30e139a7bfab29719cf0691108ca98 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.4 CCc1ccc(cc1)NC(C)C 3ed99f3debb7261e07191e58d03b9e98 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.4 CCc1ccc(cc1)OC(C)C c47fe5ab2b90199662fd8ab843de2974 [0,1,0,0,0,0|1,0,1]=3 202 B12R1.4 CCc1ccc(nc1)OC(C)C 85b55bfa1c4b791a2b861f6df3adb4e6 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.4 COc1ccc(cn1)OC(C)C 9ef739a38a83780f0b70a82f0fce73c0 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.4 COc1ccc(nc1)OC(C)C c7cef5a8d6d24506e98d43f994220db1 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.4 CSc1ccc(cc1)NC(C)C 8046d202268d2a850a12d3ac6096b479 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.4 CSc1ccc(cc1)OC(C)C e0501229b5d29bc5e4bd3d8921e409c4 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.4 CSc1ccc(cn1)OC(C)C c8b09d15930bea4a2429fe6592a6bb58 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 C=Cc1ccc(cn1)N(C)CC d21024e5325729c44ce0b1d720240300 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,1,0,0,0,0|1,0,2]=4 213 B12R1.5 CCN(C)c1ccc(cc1)NO a1b55ac79d706b4a728ba723b7fae4a6 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,1,0,0,0,0|3,0,0]=4 216 B12R1.5 CCN(C)c1ccc(cn1)C=O 30979ac5df8fbd35ed0865d9a1538cb1 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.5 CCN(C)c1ccc(nc1)C=O 287a65cbaba4b277713cea5098a452fa [0,1,0,0,0,0|2,0,0]=3 218 B12R1.5 CCN(C)c1ccc(nn1)C=O 00ef11cebbf7b07d29a7333ebc47aa35 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.5 CCN(C)c1ncc(cn1)C=O e05c13b260d3f503aa43959d32306c9a [0,1,0,0,0,0|3,0,0]=4 220 B12R1.5 CN(CF)c1ccc(cc1)C=O b74eccc5ac71532d2a3bf436d8ddc0bd [0,1,0,0,0,0|2,0,0]=3 221 B12R1.5 CN(CF)c1ccc(cn1)C=O 0080a7ce5632ad1fb6af0523547a8b04 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.5 CN(CO)c1ccc(cc1)C=O e1f9efc4553028d81b9cd5065fa5b275 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.5 CN(CO)c1ccc(cn1)C=O bdbcac187f7976eb85eecdb3e8937dd0 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.71 C#CCNc1ccc(cc1)C=C 9a05fa0a2f4e6b6b40adee0345cb0e95 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.71 C#CCNc1ccc(cc1)C=O 98c11ef7bba30ad37e93f9ae32b4b057 [0,1,0,0,0,0|1,0,1]=3 226 B12R1.71 C#CCNc1ccc(cn1)C=O 45d20922b2cab1f436e32423fe24a97d [0,1,0,0,0,0|2,0,1]=4 227 B12R1.71 C#CCNc1ccc(nc1)C=O cbc81e6fad91c97d35e5b0dbf9a9c9d5 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.71 C#CCOc1ccc(cc1)C#C 20743011e2a18987724f10ac81cb22cb [0,1,0,0,0,0|1,0,2]=4 229 B12R1.71 C#CCOc1ccc(cc1)C#N 253d8ff552891479a69438577a145ef5 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.71 C#CCOc1ccc(cc1)C=C 5576e9e840b65ec4a9448432c316c302 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.71 C#CCOc1ccc(cc1)C=O fd6946fb40fbb714839ec91fe773d1ce [0,1,0,0,0,0|0,0,1]=2 232 B12R1.71 C#CCOc1ccc(cc1)CC 12f1b0744bbf1dee49cddc74f742bebb [0,1,0,0,0,0|1,0,2]=4 233 B12R1.71 C#CCOc1ccc(cc1)N=O 33ce19d89a8774566296d646e8d1cada [0,1,0,0,0,0|1,0,1]=3 234 B12R1.71 C#CCOc1ccc(cc1)OC e995825f42e3fbf1c0cf9cf8550df4ea [0,1,0,0,0,0|2,0,1]=4 235 B12R1.71 C#CCOc1ccc(cc1)SC 4f53f1f6b9a90d293fc1db3601e2a2f1 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.71 C#CCOc1ccc(cn1)C=O ea4ac18d9de1e5dd8b626a2fa48a5021 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.71 C#CCOc1ccc(nc1)C=O dfea476f21211e76717848c77f8862f7 [0,1,0,0,0,0|1,0,1]=3 238 B12R1.71 C#CCOc1ccc(nn1)C=O 6ba6b85b2c242110d0aa22212b432a24 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.71 C#CCOc1ncc(cn1)C=O e734e60eabea560d273e17502c20d6be [0,1,0,0,0,0|2,0,1]=4 240 B12R1.71 C#Cc1ccc(cc1)CNCC acc607984157ec81c8ea429f261669f7 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.71 C#Cc1ccc(cc1)COCC 6230cf57368c1296ff15e77e9a34441e [0,1,0,0,0,0|1,0,1]=3 242 B12R1.71 C#Cc1ccc(cc1)COCF e957908427960b2db635360d63f96974 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.71 C#Cc1ccc(cc1)NCCC fc9cf895565fa4232c2247830c975af6 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.71 C#Cc1ccc(cc1)NCCF 0216074e1f87df0e609b9b9371eb4088 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.71 C#Cc1ccc(cc1)NCCO 6864288a8944c1dcd65fcf8c5c515a0f [0,1,0,0,0,0|2,0,1]=4 246 B12R1.71 C#Cc1ccc(cc1)NCCS 4a20beb128d011d955b5d868503912e9 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.71 C#Cc1ccc(cc1)NCOC 8ca9ce20d0ea96738b25a8aa9280d05b [0,1,0,0,0,0|2,0,1]=4 248 B12R1.71 C#Cc1ccc(cc1)NCSC 25e5b187fef384a688991cda8ab8283e [0,1,0,0,0,0|2,0,1]=4 249 B12R1.71 C#Cc1ccc(cc1)OCC#N a0b850d56a9308df9caebe245508d9d6 [0,1,0,0,0,0|1,0,2]=4 250 B12R1.71 C#Cc1ccc(cc1)OCC=C 969997d58dcefa646c5502213f6e13ed [0,1,0,0,0,0|1,0,2]=4 251 B12R1.71 C#Cc1ccc(cc1)OCC=O 120befd61c55366fed41c1abd3f36bf3 [0,1,0,0,0,0|1,0,2]=4 252 B12R1.71 C#Cc1ccc(cc1)OCCC 729d9bda0f3fb9c155366dcf1c6fe091 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.71 C#Cc1ccc(cc1)OCCF 3cc45db4b63be0ad3c2cdf1a30c3db31 [0,1,0,0,0,0|1,0,1]=3 254 B12R1.71 C#Cc1ccc(cc1)OCCS c668a1e8e2102b883e40f98321e0a55e [0,1,0,0,0,0|1,0,1]=3 255 B12R1.71 C#Cc1ccc(cc1)OCOC 6ac80003833690c064283fc202bca712 [0,1,0,0,0,0|1,0,1]=3 256 B12R1.71 C#Cc1ccc(cc1)OCSC 79344a320c6f31b10317f66c8bcbd703 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.71 C#Cc1ccc(nc1)COCC b60ee62c0b3397df5d20c7a51f69e313 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.71 C#Cc1ccc(nc1)OCCC 2cdfe7e30e3734ae52cd2343274ae1b8 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.71 C#Cc1ccc(nc1)OCCF 7a417cc06e00c80c67f26fc091d74f4c [0,1,0,0,0,0|2,0,1]=4 260 B12R1.71 C#Cc1ccc(nc1)OCCS 891cb09a8775c4e5091c7089227b6f49 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.71 C#Cc1ccc(nc1)OCOC 3845ae1c5f5eb0c5393670fad50f1862 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.71 C#Cc1ccc(nc1)OCSC 5012e97fef72824bcdbee5aa76502dc3 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.71 C=CCNc1ccc(cc1)C=C d608b0da23fdf4ff2775caa612c34248 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.71 C=CCNc1ccc(cc1)C=O 0f89165b7604c9ca1657e9037a23991f [0,1,0,0,0,0|1,0,1]=3 265 B12R1.71 C=CCNc1ccc(cn1)C=O ed1f2354598230ebcdaa265feb350a45 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.71 C=CCNc1ccc(nc1)C=O d6ef7e64e9a435ae985c2b8c16761cb7 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.71 C=CCOc1ccc(cc1)C#N 73abce3d72972906ff273273522e89cd [0,1,0,0,0,0|1,0,2]=4 268 B12R1.71 C=CCOc1ccc(cc1)C=C a2f4c61a48df4954b72a2fe314f24f49 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.71 C=CCOc1ccc(cc1)C=O 90da22876fdaa62cdbaf8c82428b5a45 [0,1,0,0,0,0|0,0,1]=2 270 B12R1.71 C=CCOc1ccc(cc1)CC 62db6052befcc718fc496dad3a77b04e [0,1,0,0,0,0|1,0,2]=4 271 B12R1.71 C=CCOc1ccc(cc1)N=O 35b0847ffab20c950fd0b88adc48b21b [0,1,0,0,0,0|1,0,1]=3 272 B12R1.71 C=CCOc1ccc(cc1)OC a7948b7707b8016602da4e4edb34709c [0,1,0,0,0,0|2,0,1]=4 273 B12R1.71 C=CCOc1ccc(cc1)SC 277e4bfe07351a797941fc9c177a6789 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.71 C=CCOc1ccc(cn1)C=O 678cad21f93d7a20172d21dbfb844a2e [0,1,0,0,0,0|1,0,1]=3 275 B12R1.71 C=CCOc1ccc(nc1)C=O 43f5285c1552e42825d6ebcede36143d [0,1,0,0,0,0|1,0,1]=3 276 B12R1.71 C=CCOc1ccc(nn1)C=O 8620f55087fa5ed71525f50abf9c2579 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.71 C=CCOc1ncc(cn1)C=O b8fd4992051c4179b3e2f8c619b6387f [0,1,0,0,0,0|2,0,1]=4 278 B12R1.71 C=Cc1ccc(cc1)CNCC 8d26f36a09ed6bc1769933ec92c07439 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.71 C=Cc1ccc(cc1)CNCF 63a5b17e7442bdc3a05c7188cf9e23e1 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.71 C=Cc1ccc(cc1)CNCO 326767c21a5bb3b7de832c31b7eb1a60 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.71 C=Cc1ccc(cc1)COCC 753e5692cf814e398fcce6513d26c7c7 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.71 C=Cc1ccc(cc1)COCF 9b202ff7fbff44fe3c09533e95783efe [0,1,0,0,0,0|2,0,0]=3 283 B12R1.71 C=Cc1ccc(cc1)NCC#N 9c508da44bd2b2abd298118dbed88bea [0,1,0,0,0,0|2,0,1]=4 284 B12R1.71 C=Cc1ccc(cc1)NCC=O 06d09f15338a1267fe3e23535fdd5450 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.71 C=Cc1ccc(cc1)NCCC bea20e9a07d5c53108eb0f03c06182e1 [0,1,0,0,0,0|2,0,0]=3 286 B12R1.71 C=Cc1ccc(cc1)NCCF b451124631500ffd8056ce3b2963f391 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.71 C=Cc1ccc(cc1)NCCI 47aed2912b32575a2482c77c36e2e683 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.71 C=Cc1ccc(cc1)NCCO ca4c13f45ac429eaa817deeb315ffa6b [0,1,0,0,0,0|2,0,0]=3 289 B12R1.71 C=Cc1ccc(cc1)NCCS 508865847b6238736635cf8fdf646ce2 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.71 C=Cc1ccc(cc1)NCOC 97cdddad96634b53cdafcb6e0644b48d [0,1,0,0,0,0|2,0,0]=3 291 B12R1.71 C=Cc1ccc(cc1)NCSC a71fd47777b9c428d068a5902116384d [0,1,0,0,0,0|2,0,0]=3 292 B12R1.71 C=Cc1ccc(cc1)OCC#N 2db0f02468a63b7ad7844f0a20575b76 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.71 C=Cc1ccc(cc1)OCC=O 8426c42b1d5231bf6236be4f728b5910 [0,1,0,0,0,0|1,0,1]=3 294 B12R1.71 C=Cc1ccc(cc1)OCCC 9289590995132c233aa3a872f79777ec [0,1,0,0,0,0|1,0,0]=2 295 B12R1.71 C=Cc1ccc(cc1)OCCF e66d9ae27466b417384c4aff817bd5ea [0,1,0,0,0,0|1,0,0]=2 296 B12R1.71 C=Cc1ccc(cc1)OCCS 952a32d0a5ef3d4321d5171b40617b2f [0,1,0,0,0,0|1,0,0]=2 297 B12R1.71 C=Cc1ccc(cc1)OCOC ac690c43d845204f0339230a58bbab80 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.71 C=Cc1ccc(cc1)OCSC ec6c542e460d54358d81ca15a8632d0b [0,1,0,0,0,0|1,0,0]=2 299 B12R1.71 C=Cc1ccc(cn1)NCCBr 3fa652ebfc980b66a4ad089eae19bbaf [0,1,0,0,0,0|3,0,0]=4 300 B12R1.71 C=Cc1ccc(cn1)NCCC 70a4a677ea87a3e5e5136b53deae68a6 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.71 C=Cc1ccc(cn1)NCCF 3670add0e7c7f63b1e5b64b65bc647a0 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.71 C=Cc1ccc(cn1)NCCI de817ea12047d656d77f507e3bb40bd1 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.71 C=Cc1ccc(cn1)NCCO 638f619c9deef436b391dda2a9200d73 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.71 C=Cc1ccc(cn1)NCCS 67d6689584a56da78727fd8cdcabca37 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.71 C=Cc1ccc(nc1)NCCC 1b30bc56405fa5952d03097e6865eba2 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.71 C=Cc1ccc(nc1)NCCF f6452eeeb557a94c311308e552287f38 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.71 C=Cc1ccc(nc1)NCCO c497342828efb78564900ad073185e1f [0,1,0,0,0,0|3,0,0]=4 308 B12R1.71 C=Cc1ccc(nc1)NCCS f803837dc1b2ecf038edb0e5f70aab1c [0,1,0,0,0,0|3,0,0]=4 309 B12R1.71 C=Cc1ccc(nc1)NCOC 90054c1465c4589afc4caf33569e4b20 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.71 C=Cc1ccc(nc1)NCSC 986f065b522b6141d19a923f1e97f9b4 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.71 CCCNc1ccc(cc1)C#N c413f0c8235d8b24b660a942fae94e8f [0,1,0,0,0,0|2,0,1]=4 312 B12R1.71 CCCNc1ccc(cc1)C=O 9dbf29157f416c2cfd25aa5f07560af2 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.71 CCCNc1ccc(cc1)CC 18681bd5a077639e070315f9c5ead6bc [0,1,0,0,0,0|2,0,1]=4 314 B12R1.71 CCCNc1ccc(cc1)CO ceb468625b15ce9adcfaf637f5d6e68b [0,1,0,0,0,0|1,0,2]=4 315 B12R1.71 CCCNc1ccc(cc1)NO 3dd6caa0f914c4ac2accf62bc38f2152 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.71 CCCNc1ccc(cc1)OC 5ef38f04471b6d41619c77104109b7a1 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.71 CCCNc1ccc(cc1)SC 5c3d3acd85641d2bc8849fea33561964 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.71 CCCNc1ccc(cn1)C=O 8ebe3d89a4a30df4106f6d3cdca4ca46 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.71 CCCNc1ccc(nc1)C=O d88950b7df383146d1decf3fdd2c1b4d [0,1,0,0,0,0|2,0,0]=3 320 B12R1.71 CCCNc1ccc(nn1)C=O cbd6b9dd2bbbe8976b2c2c86346157de [0,1,0,0,0,0|3,0,0]=4 321 B12R1.71 CCCNc1cnc(cn1)C=O f5f7fa41da63c2073d671e3408682831 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.71 CCCNc1cnc(nc1)C=O 3860d6f0e47d29aea186ee971562b850 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.71 CCCNc1ncc(cn1)C=O f78d75db7e743635c3caee679dbeef45 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.71 CCCOc1ccc(cc1)C#N 9ef65dc47341dcbe9f84aab2fa134c88 [0,1,0,0,0,0|1,0,1]=3 325 B12R1.71 CCCOc1ccc(cc1)C=O 4e37ed969b2e2dc144113d7cf8381fcd [0,1,0,0,0,0|0,0,0]=1 326 B12R1.71 CCCOc1ccc(cc1)CC 96cca871d75f432ff4ca383a1c75e964 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.71 CCCOc1ccc(cc1)N=O e5113a838ca97c8bc7158f76255bd3fe [0,1,0,0,0,0|1,0,0]=2 328 B12R1.71 CCCOc1ccc(cc1)OC 0b61816165283f1506ed44c74ecbaebe [0,1,0,0,0,0|2,0,0]=3 329 B12R1.71 CCCOc1ccc(cc1)SC 479b0a3cc96ea63a2a5a2a1f41d91b56 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.71 CCCOc1ccc(cn1)C#N a2cbd2d1992a84e5d0c3da2289acc5a3 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.71 CCCOc1ccc(cn1)C=O 4bd15a674df01e5246ae9320c2634007 [0,1,0,0,0,0|1,0,0]=2 332 B12R1.71 CCCOc1ccc(cn1)CC 4e464b96ca93c783522edbc9e777e8bc [0,1,0,0,0,0|2,0,1]=4 333 B12R1.71 CCCOc1ccc(cn1)OC 8770cf1ff10c23f0403785c7cf39d6a4 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.71 CCCOc1ccc(nc1)C#N 0deea24bccec8ddea5b542e790cf0e1e [0,1,0,0,0,0|2,0,1]=4 335 B12R1.71 CCCOc1ccc(nc1)C=O d569e05d488e5bd29df7cf08d4f9dce6 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.71 CCCOc1ccc(nc1)OC a32273ea1961ca137a7341afa8ac3428 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.71 CCCOc1ccc(nc1)SC d19114324697fe3a47b6c078d161bccf [0,1,0,0,0,0|3,0,0]=4 338 B12R1.71 CCCOc1ccc(nn1)C=O b8e01f5b27d1348b21eac7e30bbee13d [0,1,0,0,0,0|2,0,0]=3 339 B12R1.71 CCCOc1ncc(cn1)C=O fb351d9b89b3dfea9eee23bdeb626dbc [0,1,0,0,0,0|2,0,0]=3 340 B12R1.71 CCNCc1ccc(cc1)C#N f12d5ea6f09c7c059e4c3dbf14cb481a [0,1,0,0,0,0|2,0,1]=4 341 B12R1.71 CCNCc1ccc(cc1)CBr becc461d015ad0df61a5c76d19f314f5 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.71 CCNCc1ccc(cc1)CC 3e2fb788aa7dc44753168a8243395fdd [0,1,0,0,0,0|2,0,1]=4 343 B12R1.71 CCNCc1ccc(cc1)CO dcae13b21c0d781c4ec79c5c7375f026 [0,1,0,0,0,0|1,0,2]=4 344 B12R1.71 CCNCc1ccc(cc1)OC 590310c69085c3b6b7de5eeac9230511 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.71 CCNCc1ccc(cc1)SC 00ccf471bad170335d0bab0647cf5701 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.71 CCOCc1ccc(cc1)C#N 3373887eb6a965dda8a3f3e05b72ab37 [0,1,0,0,0,0|1,0,1]=3 347 B12R1.71 CCOCc1ccc(cc1)C=O 63f61c534301d2fb19296914e9ec3a98 [0,1,0,0,0,0|0,0,0]=1 348 B12R1.71 CCOCc1ccc(cc1)CC 45f72f0a0f8fb8243e54c5aac869cd85 [0,1,0,0,0,0|1,0,1]=3 349 B12R1.71 CCOCc1ccc(cc1)OC d60caff2ba93c5dc9ab4d399fa52aa3c [0,1,0,0,0,0|2,0,0]=3 350 B12R1.71 CCOCc1ccc(cc1)SC 5e8be0892a30f0c5353894e85ab5ba9b [0,1,0,0,0,0|2,0,0]=3 351 B12R1.71 CCOCc1ccc(cn1)C#N 362d88b90615cef3ae0482395fe2fc7e [0,1,0,0,0,0|2,0,1]=4 352 B12R1.71 CCOCc1ccc(cn1)CC 77557226d1cb17e504f0c5774ab1bc46 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.71 CCOCc1ccc(cn1)OC 68ee23be6983454168d0c17984e8abc4 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.71 CCOCc1ccc(nc1)C#N 9090b1abdb59afd608dce9fb9c273159 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.71 CCOCc1ccc(nc1)C=O 8493eb511aeeed5f9d02988f45d5b569 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.71 CCOCc1ccc(nc1)OC 566e23df7992712fb54d688e28cd0520 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.71 CCOCc1ccc(nc1)SC 67d91ca79f3cac4709e3809b9b67ffb3 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.71 CCOCc1cnc(nc1)C=O c10f103187896c4f8a468b311e039bfb [0,1,0,0,0,0|2,0,0]=3 359 B12R1.71 CCOCc1ncc(cn1)C=O 7f8d19badc08b8de3f680963ca402218 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.71 CCc1ccc(cc1)COCF 476622ea5ff8c5f296595de9335a942b [0,1,0,0,0,0|2,0,1]=4 361 B12R1.71 CCc1ccc(cc1)NCCF d86db07219c9f0e04813cc2f3408d376 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.71 CCc1ccc(cc1)NCCI 3fe2560c39fed59a074fbd198ccd561e [0,1,0,0,0,0|2,0,1]=4 363 B12R1.71 CCc1ccc(cc1)NCCO 59bb3be9e4823d1abaf1b030f05f44ce [0,1,0,0,0,0|2,0,1]=4 364 B12R1.71 CCc1ccc(cc1)NCCS b60d8f6f2f663a12d96ae8122add0901 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.71 CCc1ccc(cc1)NCOC 058ee6c7ecc6d51d387abed1e4de0f1d [0,1,0,0,0,0|2,0,1]=4 366 B12R1.71 CCc1ccc(cc1)NCSC 959018a16e5d1e7d1e8c5671bac2a437 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.71 CCc1ccc(cc1)OCC#N d2e4d5c4ad024b7763635c1cf7599efa [0,1,0,0,0,0|1,0,2]=4 368 B12R1.71 CCc1ccc(cc1)OCC=O be36dab03e57e44fb88db9aad450d084 [0,1,0,0,0,0|1,0,2]=4 369 B12R1.71 CCc1ccc(cc1)OCCF 44bec342bc60a7bc9354f50855d4a229 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.71 CCc1ccc(cc1)OCCS e9c088276447c7262f9a23be1cd2c9c9 [0,1,0,0,0,0|1,0,1]=3 371 B12R1.71 CCc1ccc(cc1)OCSC 862e8a105f4320dbd38b1167597d6d09 [0,1,0,0,0,0|1,0,1]=3 372 B12R1.71 CCc1ccc(nc1)OCCF 77b33b8801fa17cf949d1da0113838aa [0,1,0,0,0,0|2,0,1]=4 373 B12R1.71 CCc1ccc(nc1)OCCS 7bbcefebb057c680c11fd1b5be58c161 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.71 CCc1ccc(nc1)OCOC ca1356ea7703634def2c0ee6c89112aa [0,1,0,0,0,0|2,0,1]=4 375 B12R1.71 CCc1ccc(nc1)OCSC c3053c2a0fbc0868f4b0ce96a5d0d486 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.71 COCNc1ccc(cc1)C#N 65cf5d2ce99f60392e8ee371934a1d55 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.71 COCNc1ccc(cc1)C=O f7ab2f429f29a899fd97c425aa102629 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.71 COCNc1ccc(cc1)CO 1f77983716297ec2a82dbea03424b9c6 [0,1,0,0,0,0|1,0,2]=4 379 B12R1.71 COCNc1ccc(cc1)OC f08bb6381e49f57d218c6141b71431a4 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.71 COCNc1ccc(cc1)SC ae4247a861e0d9221250c21ef2ea1170 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.71 COCNc1ccc(cn1)C=O 35aa94459e6a81ad86a4eac62f959fc0 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.71 COCNc1ccc(nc1)C=O 8dc5d0abec0d4f4ac1755ab931315e4f [0,1,0,0,0,0|2,0,0]=3 383 B12R1.71 COCNc1cnc(cn1)C=O d6f83799bf0aa6ca09c3a1a9529fb6c1 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.71 COCNc1ncc(cn1)C=O 38398864df6d2cc7e8ee8d2bd8bc0edb [0,1,0,0,0,0|3,0,0]=4 385 B12R1.71 COCOc1ccc(cc1)C#N 753b0a267902f42d2517abe4e40b8f43 [0,1,0,0,0,0|1,0,1]=3 386 B12R1.71 COCOc1ccc(cc1)C=O c6331fde3edc7b39ecba2c825a6ab487 [0,1,0,0,0,0|0,0,0]=1 387 B12R1.71 COCOc1ccc(cc1)N=O 6efbc9c18cc7576f4ef181c98474af2a [0,1,0,0,0,0|1,0,0]=2 388 B12R1.71 COCOc1ccc(cc1)OC 2dd59a1a703d28b02af40dd932f195cf [0,1,0,0,0,0|2,0,0]=3 389 B12R1.71 COCOc1ccc(cc1)SC dd10472e8dd3da73df07a634244d412a [0,1,0,0,0,0|2,0,0]=3 390 B12R1.71 COCOc1ccc(cn1)C#N 567269394feb3f36e2610b73cbd4e0de [0,1,0,0,0,0|2,0,1]=4 391 B12R1.71 COCOc1ccc(cn1)C=O 8550233a44ec200389c3dd4b6e73584f [0,1,0,0,0,0|1,0,0]=2 392 B12R1.71 COCOc1ccc(cn1)OC a9f59c1f05a8d56817e6089403218a57 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.71 COCOc1ccc(nc1)C#N 27e011df5316af40ef205879429e33db [0,1,0,0,0,0|2,0,1]=4 394 B12R1.71 COCOc1ccc(nc1)C=O 293b7ba018007cdb81de45cb4e6d1014 [0,1,0,0,0,0|1,0,0]=2 395 B12R1.71 COCOc1ccc(nc1)OC 27d7a5a672ac2572da8133139cdbd266 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.71 COCOc1ccc(nc1)SC 4ef9a56ba011d5bcb94fd8a917208af6 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.71 COCOc1ccc(nn1)C=O be1a6380da1f46e2b9d923cd50161a68 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.71 COCOc1ncc(cn1)C=O 7f4c88fe72a95d51bc186200f37b7da9 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.71 COc1ccc(cc1)COCF 9616b61606be277168d66d79c532c507 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.71 COc1ccc(cc1)NCCF 8fee6635ccf1dd054d69e37a582bba86 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.71 COc1ccc(cc1)NCCO b2b0da7e24a1ad0b5cbc5b972ddd499d [0,1,0,0,0,0|3,0,0]=4 402 B12R1.71 COc1ccc(cc1)NCCS 872cf7e11a4e185989cb4e3369d7cc0e [0,1,0,0,0,0|3,0,0]=4 403 B12R1.71 COc1ccc(cc1)NCSC b208afa1c3c9a9c83b84843e5243cb08 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.71 COc1ccc(cc1)OCC#N e1f68096f3bf51f291ce525cf31bc20f [0,1,0,0,0,0|2,0,1]=4 405 B12R1.71 COc1ccc(cc1)OCC=O cf14009318b291383eaa11e0c7202ebb [0,1,0,0,0,0|2,0,1]=4 406 B12R1.71 COc1ccc(cc1)OCCF 0a2978e5f767018b19b099c16da15a7d [0,1,0,0,0,0|2,0,0]=3 407 B12R1.71 COc1ccc(cc1)OCCS c30044f3949cc33089abd838394b764c [0,1,0,0,0,0|2,0,0]=3 408 B12R1.71 COc1ccc(cc1)OCSC 60de989f1c896fefabcc4586edfbc7be [0,1,0,0,0,0|2,0,0]=3 409 B12R1.71 COc1ccc(cn1)OCCF bf74b9ccfec755e80c17faa22172ace4 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.71 COc1ccc(cn1)OCCS 73f4c37e51fc4bfb205eb58ed7e3e6f6 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.71 COc1ccc(cn1)OCSC 28ea33a77ade6429bd1a403cbe419e10 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.71 COc1ccc(nc1)OCCF 878987feaa971179e8132ca65955b7ca [0,1,0,0,0,0|3,0,0]=4 413 B12R1.71 COc1ccc(nc1)OCCS f0774acd1323cc50a564a3c569af3111 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.71 COc1ccc(nc1)OCSC df81e1b0c097b731fb4af16eb333c330 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.71 CSCNc1ccc(cc1)C#N 825281cf57456f832c535ba86141c604 [0,1,0,0,0,0|2,0,1]=4 416 B12R1.71 CSCNc1ccc(cc1)C=O 1daa2cba3e106138a755dfb5a7bd2022 [0,1,0,0,0,0|1,0,0]=2 417 B12R1.71 CSCNc1ccc(cc1)CO 7903cc30cfbce6acd80446c98bf25bf5 [0,1,0,0,0,0|1,0,2]=4 418 B12R1.71 CSCNc1ccc(cc1)SC 7f3e9c64e5b0cb0a769b4cbf02d56244 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.71 CSCNc1ccc(cn1)C=O 87175c6fecf6d71d18a47f30ecd5b673 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.71 CSCNc1ccc(nc1)C=O e5c017d7bbbe7edf4cf7be83758360da [0,1,0,0,0,0|2,0,0]=3 421 B12R1.71 CSCNc1cnc(cn1)C=O f6a0e6cef4fe1de259ad7bbcc615ed6a [0,1,0,0,0,0|3,0,0]=4 422 B12R1.71 CSCNc1ncc(cn1)C=O b7bc00adc659f42ce986c63401a52d4c [0,1,0,0,0,0|3,0,0]=4 423 B12R1.71 CSCOc1ccc(cc1)C#N 88704291ff3e9ccc65270b2d61a35752 [0,1,0,0,0,0|1,0,1]=3 424 B12R1.71 CSCOc1ccc(cc1)C=O dd0170a06c13ae6b1c7e812c8823f315 [0,1,0,0,0,0|0,0,0]=1 425 B12R1.71 CSCOc1ccc(cc1)N=O 2aa07bd1c35cdc285133b1c459404b8b [0,1,0,0,0,0|1,0,0]=2 426 B12R1.71 CSCOc1ccc(cc1)SC ff7b85f950f9c942c1ec9071a16fe926 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.71 CSCOc1ccc(cn1)C#N 262e99d824345466fba0170a9c6c5032 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.71 CSCOc1ccc(cn1)C=O ed07301570c2e322c97386f7b30e31e9 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.71 CSCOc1ccc(nc1)C#N c0fb0d4b4a8d47345f39930a972a35ec [0,1,0,0,0,0|2,0,1]=4 430 B12R1.71 CSCOc1ccc(nc1)C=O 0755c1e64d43491993f460c98cca552a [0,1,0,0,0,0|1,0,0]=2 431 B12R1.71 CSCOc1ccc(nc1)SC f81fe2b450d0120ad1da939dfd59a9b9 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.71 CSCOc1ccc(nn1)C=O 216c110ea6c3868b6ae16282a3591db1 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.71 CSCOc1ncc(cn1)C=O c538c065509ba663bd53e9415cc23970 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.71 CSc1ccc(cc1)COCF b51b996d52859efd05a68377ee66dfc3 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.71 CSc1ccc(cc1)NCCF 9464510ed505128eb206302d2b26e956 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.71 CSc1ccc(cc1)NCCO 478295d89feae03334547871f0d6050c [0,1,0,0,0,0|3,0,0]=4 437 B12R1.71 CSc1ccc(cc1)NCCS 683171aa02bb4a901643cd8dc7a2cb9f [0,1,0,0,0,0|3,0,0]=4 438 B12R1.71 CSc1ccc(cc1)OCC#N f24279fee0b9aa25d38d7f986d5663ec [0,1,0,0,0,0|2,0,1]=4 439 B12R1.71 CSc1ccc(cc1)OCC=O 83a8aaa8ffe5e17ddfed14bcb3d02663 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.71 CSc1ccc(cc1)OCCF 42d04b528d48174fa03ed012f3d659a7 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.71 CSc1ccc(cc1)OCCS b094c235c79999c9e17b0cf74c010571 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.71 CSc1ccc(cn1)OCCF a6286042c9375e43e4486f41d49694f4 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.71 CSc1ccc(cn1)OCCS ae53f669818f797c007d629dcd72619f [0,1,0,0,0,0|3,0,0]=4 444 B12R1.71 FCc1ccc(cc1)NCCS 65f87ad2cad6caac71fca2cab443b29c [0,1,0,0,0,0|2,0,1]=4 445 B12R1.71 N#CCNc1ccc(cc1)C=O 04bf5a3c6cba5141c766c10e20b234b2 [0,1,0,0,0,0|1,0,1]=3 446 B12R1.71 N#CCNc1ccc(cn1)C=O fcb07116dc13e571cd4f8d0aac21dcf9 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.71 N#CCNc1ccc(nc1)C=O 8431cf621531f0c9042412d518876442 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.71 N#CCOc1ccc(cc1)C#N 2207ab05d16ac8c03534a7befd50690c [0,1,0,0,0,0|1,0,2]=4 449 B12R1.71 N#CCOc1ccc(cc1)C=O 5c97ef8c70604bc8fd7104a6178c4cf1 [0,1,0,0,0,0|0,0,1]=2 450 B12R1.71 N#CCOc1ccc(cc1)N=O d1daa05674bdb892a78181aa8eef31d5 [0,1,0,0,0,0|1,0,1]=3 451 B12R1.71 N#CCOc1ccc(cn1)C=O 47b678142141325491a1f6744b1f51f4 [0,1,0,0,0,0|1,0,1]=3 452 B12R1.71 N#CCOc1ccc(nc1)C=O 0ea5dc1eee6518bef0fdac94bd5fd40d [0,1,0,0,0,0|1,0,1]=3 453 B12R1.71 N#CCOc1ccc(nn1)C=O fd21dd57c176d9356e1784154b12a0f8 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.71 N#CCOc1ncc(cn1)C=O ee2246e8802eb0ced4da5d15cc85dd7b [0,1,0,0,0,0|2,0,1]=4 455 B12R1.71 N#CNCc1ccc(cc1)C=O 4660558f67e22b83d1900b93c7df849c [0,1,0,0,0,0|2,0,1]=4 456 B12R1.71 N#Cc1ccc(cc1)COCF 67559847288e49c2b05838ed9193791b [0,1,0,0,0,0|2,0,1]=4 457 B12R1.71 N#Cc1ccc(cc1)NCCF caf5fd0ea9cb94c7c25b67d46d1a40c6 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.71 N#Cc1ccc(cc1)NCCO 7880b39acbf6bfe6fb61c5ce82df1a73 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.71 N#Cc1ccc(cc1)NCCS a2d06994e1a13704715f82c2ef074731 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.71 N#Cc1ccc(cc1)OCC=O e8038fbef454a24dfa23d9e633c88c31 [0,1,0,0,0,0|1,0,2]=4 461 B12R1.71 N#Cc1ccc(cc1)OCCF 18c382f3ee4a808c31820235b31e2b40 [0,1,0,0,0,0|1,0,1]=3 462 B12R1.71 N#Cc1ccc(cc1)OCCS 864645f4d4cfc4f4d0ae7d84d2f2b8ef [0,1,0,0,0,0|1,0,1]=3 463 B12R1.71 N#Cc1ccc(cn1)OCCF ded3ab91be6ba3713f3a30f5fe49e6e4 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.71 N#Cc1ccc(cn1)OCCS 8ab2bbda745c7a72941a9f7e92c19a92 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.71 N#Cc1ccc(nc1)OCCF 3debbb8b9eb2e81adaf5aca046e28a21 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.71 N#Cc1ccc(nc1)OCCS 2a33b5ae38c9ce4a591db84c7f4c822b [0,1,0,0,0,0|2,0,1]=4 467 B12R1.71 O=CCNc1ccc(cc1)C=O 88fbc9d33bef5e524f3299598fa9994a [0,1,0,0,0,0|1,0,1]=3 468 B12R1.71 O=CCNc1ccc(cn1)C=O 79f6ab416dee9c084edc0918e11b4314 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.71 O=CCNc1ccc(nc1)C=O 17e8b385c8fac1c96798e2327f469d55 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.71 O=CCOc1ccc(cc1)C=O 09b5d7c02de67a41a0f8cef1d721a351 [0,1,0,0,0,0|0,0,1]=2 471 B12R1.71 O=CCOc1ccc(cc1)N=O d39091425a3f217b5ddd9b58cdd1876a [0,1,0,0,0,0|1,0,1]=3 472 B12R1.71 O=CCOc1ccc(cn1)C=O 2c28b04723aeecf114609588464e26ab [0,1,0,0,0,0|1,0,1]=3 473 B12R1.71 O=CCOc1ccc(nc1)C=O a8fff0d1ba057fd3ac90e9f79cf06296 [0,1,0,0,0,0|1,0,1]=3 474 B12R1.71 O=CCOc1ccc(nn1)C=O a9c9eeb857fab93eb36a97e89c49f380 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.71 O=CCOc1ncc(cn1)C=O 01fbbbc1eb1f1380d3d6700c22047d0c [0,1,0,0,0,0|2,0,1]=4 476 B12R1.71 O=Cc1ccc(cc1)COCF 2fed82879f2effc5bed1bb1ecaec03ef [0,1,0,0,0,0|1,0,0]=2 477 B12R1.71 O=Cc1ccc(cc1)NCCF 022e072816ba23b7b7dafb833917e94f [0,1,0,0,0,0|1,0,0]=2 478 B12R1.71 O=Cc1ccc(cc1)NCCO 5a79e9d64e8d05bc2ceaff4bad6f99dc [0,1,0,0,0,0|1,0,0]=2 479 B12R1.71 O=Cc1ccc(cc1)NCCS 32d31e8953c0737facb3e2f1515c2587 [0,1,0,0,0,0|1,0,0]=2 480 B12R1.71 O=Cc1ccc(cc1)OCCF d88859339eeb41baa516f278ae1ceb0e [0,1,0,0,0,0|0,0,0]=1 481 B12R1.71 O=Cc1ccc(cc1)OCCS 36b8ef3998b367449430d6d253a8559f [0,1,0,0,0,0|0,0,0]=1 482 B12R1.71 O=Cc1ccc(cn1)COCF 456b37eba533d10faaa0f34d26841ba0 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.71 O=Cc1ccc(cn1)NCCBr 543044b26ee088d56240c3ca88b4acd5 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.71 O=Cc1ccc(cn1)NCCF b985a565cdcad89c359c4685cff0d021 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.71 O=Cc1ccc(cn1)NCCI eddff64c65da84e03b4508322c73b861 [0,1,0,0,0,0|2,0,0]=3 486 B12R1.71 O=Cc1ccc(cn1)NCCO 5d6199fb7e3b9079a0ac05630108fbdf [0,1,0,0,0,0|2,0,0]=3 487 B12R1.71 O=Cc1ccc(cn1)NCCS d146c77927dccb426e5a8ab8cd4bca22 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.71 O=Cc1ccc(cn1)OCCF 29164b0d9e73fbca902f00a0a9cfec32 [0,1,0,0,0,0|1,0,0]=2 489 B12R1.71 O=Cc1ccc(cn1)OCCS dfc7f92c543e87fd49166fb3d8bdc860 [0,1,0,0,0,0|1,0,0]=2 490 B12R1.71 O=Cc1ccc(nc1)NCCBr a128c20942454cff13181a5f179078e2 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.71 O=Cc1ccc(nc1)NCCF 094ec654a902f118b4fc8e12d1afe74b [0,1,0,0,0,0|2,0,0]=3 492 B12R1.71 O=Cc1ccc(nc1)NCCI 005bc9a5bc382c109a5e015ca1af7a52 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.71 O=Cc1ccc(nc1)NCCO 47cc30807a43c984f4730993b934c327 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.71 O=Cc1ccc(nc1)NCCS c13e557af4b7d7260a3cf6135e4f26f1 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.71 O=Cc1ccc(nc1)OCCF d6a66b87d97d75acb72d0f904fcb0aa1 [0,1,0,0,0,0|1,0,0]=2 496 B12R1.71 O=Cc1ccc(nc1)OCCS aa314f519985bf47cbdc15c4c20a0f7e [0,1,0,0,0,0|1,0,0]=2 497 B12R1.71 O=Cc1ccc(nn1)NCCBr 333b8d981689e4d1b3e29b6cf095cba4 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.71 O=Cc1ccc(nn1)NCCF f0fd97343ba68d23807473f899367d10 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.71 O=Cc1ccc(nn1)NCCI 63fbcc99231f1fce552324c8e1af259a [0,1,0,0,0,0|3,0,0]=4 500 B12R1.71 O=Cc1ccc(nn1)NCCO 4799320bcdf853deec79dd030c70b9d6 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.71 O=Cc1ccc(nn1)NCCS a2417c1345f5884661cbe3c80a9d5ba7 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.71 O=Cc1ccc(nn1)OCCF be9b9f8e7e49b7f7ff734755619f1bff [0,1,0,0,0,0|2,0,0]=3 503 B12R1.71 O=Cc1ccc(nn1)OCCS ded2c7cb025027689e33c565ab83017f [0,1,0,0,0,0|2,0,0]=3 504 B12R1.71 O=Cc1cnc(cn1)NCCF 029125127cfa6579100805ee0f23f3a4 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.71 O=Cc1cnc(cn1)NCCO 175530a8bb5063825d55ed94b91c4976 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.71 O=Cc1cnc(cn1)NCCS 7d05ea55de66f212c755a625273996b6 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.71 O=Cc1cnc(nc1)COCF 0fd8ba15728d42b222167b586a228b8b [0,1,0,0,0,0|3,0,0]=4 508 B12R1.71 O=Cc1cnc(nc1)NCCBr bde0cbc985e8e5f4ac00584cf1d8fc19 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.71 O=Cc1cnc(nc1)NCCF 58e1a259284d0f21711b35a9ee899095 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.71 O=Cc1cnc(nc1)NCCI ff85864cc2580779925e2044fbbcf424 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.71 O=Cc1cnc(nc1)NCCO eb0d481342278e5ef515f6291d26264e [0,1,0,0,0,0|3,0,0]=4 512 B12R1.71 O=Cc1cnc(nc1)NCCS 04090d8a334ae288d73ab0bbfd25a6a8 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.71 O=Cc1cnc(nc1)OCCF dcdd3164f31a1c16c19a56923883ccb7 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.71 O=Cc1cnc(nc1)OCCS d3f24dc479dc26f06cef7342534d6a1f [0,1,0,0,0,0|2,0,0]=3 515 B12R1.71 O=Cc1ncc(cn1)COCF 98b862f2d947347f098f977190b064d5 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.71 O=Cc1ncc(cn1)NCCBr ac9fb9b17f898d0c4050e29fe41fb141 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.71 O=Cc1ncc(cn1)NCCF 463f8c497d5f27b042e7bdaf4463d09e [0,1,0,0,0,0|3,0,0]=4 518 B12R1.71 O=Cc1ncc(cn1)NCCI bff3e582552158f5adaf35c22815aff0 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.71 O=Cc1ncc(cn1)NCCO e897f73d6988f0773513d31ce458d6b5 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.71 O=Cc1ncc(cn1)NCCS bf22f5136f4803367881a3ae5b974c09 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.71 O=Nc1ccc(cc1)OCCF 55786ce9cdd9bfffb651f48a4eb5deb2 [0,1,0,0,0,0|1,0,0]=2 522 B12R1.71 O=Nc1ccc(cc1)OCCS f3c4096b9020ad0b1d93d5d584318a79 [0,1,0,0,0,0|1,0,0]=2 523 B12R1.71 OCCNc1ccc(cc1)CO c903351b0ccbc905223fc1306554066f [0,1,0,0,0,0|1,0,2]=4 524 B12R1.71 OCCNc1ccc(cc1)NO aedc91f1a71b256bdd0f2c8e7b163ac1 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.71 OCc1ccc(cc1)NCCF 46433f593b274de4c65fdc6b5c59cbe7 [0,1,0,0,0,0|1,0,2]=4 526 B12R1.71 OCc1ccc(cc1)NCCS 7069bfbd0cba19875e4f5dce90cf80dc [0,1,0,0,0,0|1,0,2]=4 527 B12R1.71 ONc1ccc(cc1)NCCS 2234315261dfd8daf379292d763af9aa [0,1,0,0,0,0|2,0,1]=4 528 B12R1.71 SCCNc1ccc(cc1)CS 5fe0859c81872094cc44e50748fd441a [0,1,0,0,0,0|1,1,1]=4 529 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,1,0,0,0,0|1,0,0]=2 530 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,1,0,0,0,0|2,0,0]=3 531 B12R1.113 CC(=O)c1ccc(cc1)NC#N 2e1077cad859299940af320efde8e0c2 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,1,0,0,0,0|2,0,1]=4 533 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,1,0,0,0,0|2,0,0]=3 534 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,1,0,0,0,0|1,0,0]=2 536 B12R1.113 CC(=O)c1ccc(cn1)NCF 08ccb3ac413058be9b2130546df17906 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.113 CC(=O)c1ccc(nc1)NCF ce5dc07ab2e66d48af6b95fd0c828117 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,1,0,0,0,0|3,0,0]=4 541 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,1,0,0,0,0|2,0,0]=3 542 B12R1.113 CC(=O)c1cnc(cn1)OCF 19dd08caa144366c9c299ca9787617a9 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.113 CC(=O)c1cnc(nc1)OCF 7bdbe75b98bad45749498348d58fb042 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.113 CC(C)c1ccc(cc1)OCF a7ca380fb5af25e1b29af10fac04b737 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,1,0,0,0,0|1,0,0]=2 546 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,1,0,0,0,0|1,0,0]=2 547 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,1,0,0,0,0|1,0,0]=2 548 B12R1.113 CCNc1ccc(cc1)C(=S)N 6717bf95bcea50ba1a8070a2fa29a0ab [0,1,0,0,0,0|1,1,0]=3 549 B12R1.113 CCNc1ccc(cc1)C(C)C 51a8c28fb0c90cbb58429f7341333aa1 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.113 CCNc1ccc(cc1)C(C)O 06a84e7b07090916a8cf8a0827876e87 [0,1,0,0,0,0|1,0,2]=4 551 B12R1.113 CCNc1ccc(cc1)N(C)C 60030f7164ecf2eb4bb7228d01f9e891 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.113 CCNc1ccc(cc1)S(=O)C 6eee7090214169bd16bf843c95e9dce4 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 61505ae0e73ca4e59cf97f62bf4de856 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.113 CCNc1ccc(cn1)C(=O)C 433d281b0eb2a601577fb4e71c3fd4f3 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.113 CCNc1ccc(cn1)C(=O)N 38628e4943d4fba4dd979f30eea2e256 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.113 CCNc1ccc(cn1)C(=O)O 445772db4ba156b9fc509f371a250977 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.113 CCNc1ccc(cn1)[N+](=O)[O-] 0a99e996c17180e68830399f75b18113 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.113 CCNc1ccc(nc1)C(=O)C 56f227a563d31391d34b525ced93dda7 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.113 CCNc1ccc(nc1)C(=O)N 18bc9b7549e9b044d978a04a720c3d13 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.113 CCNc1ccc(nc1)C(=O)O 3d4b3f9334a92c9c81fda99edc5d14cb [0,1,0,0,0,0|2,0,0]=3 561 B12R1.113 CCNc1ccc(nc1)C(=S)N eae33faef61b5d455ca4abadc71e1e20 [0,1,0,0,0,0|2,1,0]=4 562 B12R1.113 CCNc1ccc(nc1)[N+](=O)[O-] 7fe68e6bdf9904a0bea9b9355412d216 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.113 CCNc1ccc(nn1)C(=O)N ebbc1483c79029124201979f327dad2d [0,1,0,0,0,0|3,0,0]=4 564 B12R1.113 CCNc1ccc(nn1)C(=O)O c061e20366fc0689f6bcc2ef51f20a22 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.113 CCNc1cnc(cn1)C(=O)C f769d181d5761e9318f997abc8cb6ae9 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.113 CCNc1cnc(cn1)C(=O)N afa3f24bb975585465b77629cf5cc8e1 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.113 CCNc1cnc(cn1)C(=O)O 9ee6ceb7d28fa884d42c4466afba492c [0,1,0,0,0,0|3,0,0]=4 568 B12R1.113 CCNc1cnc(nc1)C(=O)N 59a4e4f567829327bc2cd537a46e2e76 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.113 CCNc1cnc(nc1)C(=O)O 71108d500e9b3384658c3d220f085fe6 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.113 CCNc1ncc(cn1)C(=O)C cc26fde4406fc0e1acba1cb2b31f8701 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.113 CCNc1ncc(cn1)C(=O)O 068765086556caf3f3d1e5a2781338d8 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,1,0,0,0,0|0,0,0]=1 573 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,1,0,0,0,0|0,0,0]=1 574 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,1,0,0,0,0|0,0,0]=1 575 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,1,0,0,0,0|0,1,0]=2 576 B12R1.113 CCOc1ccc(cc1)C(C)C 1b1f3178a4d7a5d36377a94e34a4b641 [0,1,0,0,0,0|1,0,1]=3 577 B12R1.113 CCOc1ccc(cc1)N(C)C 7c0c8727d2634fbddeec9ff1c3c4e652 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,1,0,0,0,0|1,0,0]=2 579 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,1,0,0,0,0|1,0,0]=2 580 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,1,0,0,0,0|1,0,0]=2 581 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,1,0,0,0,0|1,0,0]=2 582 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,1,0,0,0,0|1,0,0]=2 583 B12R1.113 CCOc1ccc(cn1)C(=S)N a59cb6466d7da2d75cac94e608d70e80 [0,1,0,0,0,0|1,1,0]=3 584 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,1,0,0,0,0|1,0,0]=2 585 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,1,0,0,0,0|1,0,0]=2 586 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,1,0,0,0,0|1,0,0]=2 587 B12R1.113 CCOc1ccc(nc1)C(C)C 4852f36066164051e07a5e5ff729272a [0,1,0,0,0,0|2,0,1]=4 588 B12R1.113 CCOc1ccc(nc1)C(F)F 8294567f65bab581c8b6b8c056c21a71 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.113 CCOc1ccc(nc1)N(C)C da517aa6170e6f0f7b26e6212826da6a [0,1,0,0,0,0|3,0,0]=4 590 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] a09708ba61eb3b268c1cc8743b298fd1 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.113 CCOc1cnc(cn1)C(=O)C 53640d061f779fd1176dca9f18ff45ec [0,1,0,0,0,0|2,0,0]=3 592 B12R1.113 CCOc1cnc(cn1)C(=O)N 0789402290094c08fe9a7b71b9420cdc [0,1,0,0,0,0|2,0,0]=3 593 B12R1.113 CCOc1cnc(cn1)C(=O)O 0484c5c7dc824956e213587b23ea40fd [0,1,0,0,0,0|2,0,0]=3 594 B12R1.113 CCOc1cnc(nc1)C(=O)O fbe8379a55ae64e80fa7525c142ab2d8 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.113 CCOc1ncc(cn1)C(=O)C b9982492e7469c670a1a390038e27ecc [0,1,0,0,0,0|2,0,0]=3 596 B12R1.113 CCOc1ncc(cn1)C(=O)N 0dcfebfe5ac358fe532d3c3706967a42 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.113 CCOc1ncc(cn1)C(=O)O 90a69f95b14105950e0746af889bf203 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.113 CN(C)c1ccc(cc1)OCF e7783933c096400ab0ca8921de39e5cd [0,1,0,0,0,0|3,0,0]=4 599 B12R1.113 CS(=O)c1ccc(cc1)NCF 0296e1a7c488c46974450d16d7aea993 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.113 NC(=O)c1ccc(cc1)NC=O 9fb7ff943e0b6470f967c00a5d8db744 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,1,0,0,0,0|1,0,0]=2 606 B12R1.113 NC(=O)c1ccc(cn1)NCF d61f02dbb54cf7fd042cb5f64162bcfb [0,1,0,0,0,0|3,0,0]=4 607 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.113 NC(=O)c1ccc(nc1)NCF 578291dcc3fe8e27da082088eee070ac [0,1,0,0,0,0|3,0,0]=4 610 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,1,0,0,0,0|3,0,0]=4 611 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,1,0,0,0,0|2,0,0]=3 612 B12R1.113 NC(=O)c1cnc(cn1)OCF 3d75b04d6095d014c6f6a6d96f92f252 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.113 NC(=O)c1cnc(nc1)OCF a0fa349ffe0ceb3917c48bc37e9f800a [0,1,0,0,0,0|3,0,0]=4 614 B12R1.113 NC(=S)c1ccc(cc1)NCF c01e7e034d1c6a9f9ce059fa31b0b283 [0,1,0,0,0,0|2,1,0]=4 615 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,1,0,0,0,0|2,1,0]=4 616 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,1,0,0,0,0|1,1,0]=3 617 B12R1.113 NC(=S)c1ccc(nc1)OCF f5c8f9a57bfa45958e596d092593837b [0,1,0,0,0,0|2,1,0]=4 618 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,1,0,0,0,0|2,0,0]=3 619 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,1,0,0,0,0|1,0,0]=2 621 B12R1.113 O=C(O)c1ccc(cn1)NCF c501499687dc9c0943ab4dce188bad34 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,1,0,0,0,0|2,0,0]=3 624 B12R1.113 O=C(O)c1ccc(nc1)NCF 01ec063e90a19546acfac6915f960b28 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,1,0,0,0,0|3,0,0]=4 626 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.113 O=C(O)c1cnc(cn1)OCF d14c93ac542612ac50df3149286a6c8b [0,1,0,0,0,0|3,0,0]=4 628 B12R1.113 O=C(O)c1cnc(nc1)OCF d8c4e25264ec4566a8f9a1932e56de96 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.113 O=C(O)c1ncc(cn1)OCF 6f60440f851880ab1b38ec75523e5ea3 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 666ba325db329490991e587abcd4eb51 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,1,0,0,0,0|3,0,0]=4 632 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 6473f40a27e4e6b879210bc12c415901 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.114 C#Cc1ccc(c(c1)C)NCC af5b9bf166acfebfffa6e97b91ab35f2 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.114 C#Cc1ccc(c(c1)Cl)NCC e72233a73646660c92ecd3dbd2581e34 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.114 C#Cc1ccc(c(c1)F)NCC d7ecd5ee91a3428034c0e4ed69e12821 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.114 C=Cc1ccc(c(c1)I)OCC 7b28a4a5be85bacb2939f94b214e3379 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.114 C=Cc1ccc(c(c1)I)OCF 292312124f3b323814e2390fc8d6e61c [0,1,0,0,0,0|2,0,0]=3 639 B12R1.114 CCNc1ccc(cc1Br)C#N 2017bf3a7b1a172eda989a128f10761d [0,1,0,0,0,0|2,0,1]=4 640 B12R1.114 CCNc1ccc(cc1Br)C=O a8d19195f9fa918e3a01fe351056bf90 [0,1,0,0,0,0|1,0,0]=2 641 B12R1.114 CCNc1ccc(cc1Br)CC 210e9a8348e9777b3e50c28d2efd101f [0,1,0,0,0,0|2,0,1]=4 642 B12R1.114 CCNc1ccc(cc1Br)CO 8f07aa098d8478c6926758cef710b55b [0,1,0,0,0,0|1,0,2]=4 643 B12R1.114 CCNc1ccc(cc1Br)OC b1e147cacfa4a7f9c53768bb6193a555 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.114 CCNc1ccc(cc1C)C#N f5ad0a30cdf007bce5d22164252fa098 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.114 CCNc1ccc(cc1C)CC 25275062c3fdb810d246cb79e61a857f [0,1,0,0,0,0|2,0,1]=4 646 B12R1.114 CCNc1ccc(cc1C)CO fce9e0dabf540098b6e4e49ca5c4e98c [0,1,0,0,0,0|1,0,2]=4 647 B12R1.114 CCNc1ccc(cc1C)OC acbed43b8715c8ac6d98756bc2119fe3 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.114 CCNc1ccc(cc1C)SC 8bade292de97a4e84c2f52fdf79d0f16 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.114 CCNc1ccc(cc1Cl)C#N be992bdd852504430b7a8408445035b2 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.114 CCNc1ccc(cc1Cl)CC bca96b8444a430bd2125861308fa38b4 [0,1,0,0,0,0|2,0,1]=4 651 B12R1.114 CCNc1ccc(cc1Cl)CO dec9c2839d4a25e5305a2da952106621 [0,1,0,0,0,0|1,0,2]=4 652 B12R1.114 CCNc1ccc(cc1Cl)OC 2517d95b395e626f3bae70fe424ceffc [0,1,0,0,0,0|3,0,0]=4 653 B12R1.114 CCNc1ccc(cc1F)C#N 024eb410e9f5de8583efe1021534d22c [0,1,0,0,0,0|2,0,1]=4 654 B12R1.114 CCNc1ccc(cc1F)CC 475609015ed055350bda606115d52a5d [0,1,0,0,0,0|2,0,1]=4 655 B12R1.114 CCNc1ccc(cc1F)CO 4aeb5f80a92f779ad76d49854cfb0c56 [0,1,0,0,0,0|1,0,2]=4 656 B12R1.114 CCNc1ccc(cc1F)OC eff752696436e3c15cc1f0787fd9adf0 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.114 CCNc1ccc(cc1F)SC 1a916daee805b77017ee1ff28c73edac [0,1,0,0,0,0|3,0,0]=4 658 B12R1.114 CCNc1ccc(cc1I)C#N 85ab5d5d47e68533cb6b7d1ca2953276 [0,1,0,0,0,0|2,0,1]=4 659 B12R1.114 CCNc1ccc(cc1I)CC 29f45169f37689ade8b72536561c76f5 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.114 CCNc1ccc(cc1I)CO 6c034d3a97e1e18902bdc5f292547158 [0,1,0,0,0,0|1,0,2]=4 661 B12R1.114 CCNc1ccc(cc1I)OC ec8d456a49a196c741c38e76b5454eec [0,1,0,0,0,0|3,0,0]=4 662 B12R1.114 CCNc1ccc(cc1S)OC fa0f649ddc93154983b39d71cdb45845 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.114 CCNc1ccc(nc1C)C=O 95a04d07488e10ab7a16c34629bd54b6 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.114 CCNc1ncc(cc1Br)C=O bb6236d611ef1db2d59fcac0f3f4ff62 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.114 CCOc1ccc(cc1Br)C#N 3796e60fa2875f2d6a27111f8ea9eb47 [0,1,0,0,0,0|1,0,1]=3 666 B12R1.114 CCOc1ccc(cc1Br)C=O e0b533ea3d47f93cb2475b3fad51d52a [0,1,0,0,0,0|0,0,0]=1 667 B12R1.114 CCOc1ccc(cc1Br)CC 4fa31ea33618bcda7207aa3892f572b6 [0,1,0,0,0,0|1,0,1]=3 668 B12R1.114 CCOc1ccc(cc1Br)OC dc86003f9d22430c6adb36465be33115 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.114 CCOc1ccc(cc1Br)SC 41a326e6f0b10e896447fffacd8f2b9c [0,1,0,0,0,0|2,0,0]=3 670 B12R1.114 CCOc1ccc(cc1C)C#N 345c184192a0959bc7000ea9dcb5464f [0,1,0,0,0,0|1,0,1]=3 671 B12R1.114 CCOc1ccc(cc1C)C=O a490f9d45f869d40ff530581209ac98b [0,1,0,0,0,0|0,0,0]=1 672 B12R1.114 CCOc1ccc(cc1C)CC d39dd963eb55b563761f4b1e33db17c6 [0,1,0,0,0,0|1,0,1]=3 673 B12R1.114 CCOc1ccc(cc1C)OC 59795038146e64bc9fe83fb43ffe9bd0 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.114 CCOc1ccc(cc1C)SC 2d7808eafdf2a1715d091c8ccf0f38f6 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.114 CCOc1ccc(cc1Cl)C#N b717a326d770a00c2c606364d65ccb07 [0,1,0,0,0,0|1,0,1]=3 676 B12R1.114 CCOc1ccc(cc1Cl)C=O 36f23ce16047cc5a153aa6d0c701da0c [0,1,0,0,0,0|0,0,0]=1 677 B12R1.114 CCOc1ccc(cc1Cl)CC d781d70714056ba57b7a89fb94038621 [0,1,0,0,0,0|1,0,1]=3 678 B12R1.114 CCOc1ccc(cc1Cl)OC 07ae7103ee76cfd76cd580510d01c1aa [0,1,0,0,0,0|2,0,0]=3 679 B12R1.114 CCOc1ccc(cc1F)C#N 5b50cd2d4c360949ba82442b00db8ae2 [0,1,0,0,0,0|1,0,1]=3 680 B12R1.114 CCOc1ccc(cc1F)C=O 0b8e1b6cef1ad04dbfe8bca13899108b [0,1,0,0,0,0|0,0,0]=1 681 B12R1.114 CCOc1ccc(cc1F)OC f590a84ebc2e54af410e056abdea8ea4 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.114 CCOc1ccc(cc1I)C#N e857f00188bee30fa08321f496a5c162 [0,1,0,0,0,0|1,0,1]=3 683 B12R1.114 CCOc1ccc(cc1I)C=O cb2d87ab1f12c2292b2d499d6acc7d39 [0,1,0,0,0,0|0,0,0]=1 684 B12R1.114 CCOc1ccc(cc1I)OC 6a50611d1d13b3ad8aaf5692c2e7e8a1 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.114 CCOc1ccc(nc1Br)C#N 1d251cdedf321b1967b607586f91936c [0,1,0,0,0,0|2,0,1]=4 686 B12R1.114 CCOc1ccc(nc1Br)C=O 6daa3fb47e146552207e576949955f9f [0,1,0,0,0,0|1,0,0]=2 687 B12R1.114 CCOc1ccc(nc1Br)OC f2f138086622af7be6f1260d07c134d0 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.114 CCOc1ccc(nc1C)OC f9c3ff9e0d3e37c1cdd668f4d6e734ab [0,1,0,0,0,0|3,0,0]=4 689 B12R1.114 CCOc1ccc(nc1Cl)C#N b31718a28f8a597f03cda5f6d11e8d1f [0,1,0,0,0,0|2,0,1]=4 690 B12R1.114 CCOc1ccc(nc1Cl)OC 9706d8a73193212e4fca9ce9ad2aaa82 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.114 CCOc1cnc(cc1C)C#N 617b95e7a4762feadc34c55a033c72f2 [0,1,0,0,0,0|2,0,1]=4 692 B12R1.114 CCOc1cnc(cc1C)OC 60b03c904e39e97a919f1cf4db230c14 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.114 CCOc1cnc(cc1I)OC fcb56fea51aab7ed35ff19647f2c6dc6 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.114 CCOc1ncc(cc1Br)C#N 4b86447a7faeb358f53697a489fde78d [0,1,0,0,0,0|2,0,1]=4 695 B12R1.114 CCOc1ncc(cc1C)C=O d05a620811a8dabec6581a53b1e2ab90 [0,1,0,0,0,0|1,0,0]=2 696 B12R1.114 CCOc1ncc(cc1Cl)C#N 42b217a0131f370ed13e2b3e9399dded [0,1,0,0,0,0|2,0,1]=4 697 B12R1.114 CCOc1ncc(cc1Cl)C=O 6adab60fa052796ad11da8042630e576 [0,1,0,0,0,0|1,0,0]=2 698 B12R1.114 CCOc1ncc(cc1Cl)OC 5d8fd4b202f61bdd64f8c519eaca1872 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.114 CCOc1ncc(cc1F)C=O a173eb518e5c90583b5f0ffb0d7ce567 [0,1,0,0,0,0|1,0,0]=2 700 B12R1.114 CCOc1ncc(cc1I)C#N 3e3f2de0769263948a2a3612f6fe6201 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.114 CCc1ccc(c(c1)Br)OCF e7cc2b358293408f1d89cdea7fe3e891 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.114 CCc1ccc(c(c1)C)OCF 00c32d592795b30cb82a919c84d13bf6 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.114 CCc1ccc(c(c1)Cl)OCF ec48432eabc6a5f372c9e85302e16e42 [0,1,0,0,0,0|2,0,1]=4 704 B12R1.114 COc1ccc(c(c1)Br)OCF eeff112fb2ae406f9d7796fc5fffdcae [0,1,0,0,0,0|3,0,0]=4 705 B12R1.114 COc1ccc(c(c1)C)OCF e3e9959552877c2fcfd1ed08e204afd3 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.114 COc1ccc(c(c1)Cl)OCF 6628664446baeb74dfae3e71babf1ca9 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.114 COc1ccc(c(c1)F)OCF 7e9573d9258a629bb1d2266727f9fa4d [0,1,0,0,0,0|3,0,0]=4 708 B12R1.114 COc1ccc(c(c1)I)OCF 1a0b1c8b8ef14484fd79addade72f1ea [0,1,0,0,0,0|3,0,0]=4 709 B12R1.114 CSc1ccc(c(c1)Br)OCF 3184e4db96624b9697a18413e1359110 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.114 CSc1ccc(c(c1)C)OCF 8932723bf6cb77540433ddd20ae6fb22 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.114 Cc1cc(ccc1OCF)C#N b8b871da30af17e514c4a343001ced25 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.114 Cc1cc(ccc1OCF)C=O 45959dfaed1aafa69cade8faa973fa7d [0,1,0,0,0,0|1,0,0]=2 713 B12R1.114 Cc1cc(cnc1OCF)C=O 9284dfa91b0d09ed68833ba95e72a178 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.114 Cc1nc(ccc1NCF)C=O ffd4674f86f380ec0b505a14800b64ff [0,1,0,0,0,0|3,0,0]=4 715 B12R1.114 Cc1nc(ccc1NCO)C=O 429b14d1fd6163cf3a353d5a494c3539 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.114 N#Cc1ccc(c(c1)Br)OCF 1e257a151635eadd605d00337af3132b [0,1,0,0,0,0|2,0,1]=4 717 B12R1.114 N#Cc1ccc(c(c1)Cl)OCF 5d8fad4cc805647e5e8bd425eceaa56a [0,1,0,0,0,0|2,0,1]=4 718 B12R1.114 N#Cc1ccc(c(c1)F)OCF 03c870ff3098fd7d75ad64fa6c9e1cb4 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.114 N#Cc1ccc(c(c1)I)OCF e5f60f3d9d431a1ffa69b2fc05c473cb [0,1,0,0,0,0|2,0,1]=4 720 B12R1.114 O=Cc1ccc(c(c1)Br)NCF c732222b9bc65825c549bea3715cc3b3 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.114 O=Cc1ccc(c(c1)Br)NCO 0387cf7742574e4b1d1e87b461380c55 [0,1,0,0,0,0|2,0,0]=3 722 B12R1.114 O=Cc1ccc(c(c1)Cl)OCF dd45a0502687b371736841ac71d0948f [0,1,0,0,0,0|1,0,0]=2 723 B12R1.114 O=Cc1ccc(c(c1)F)OCF ef0833380c125e634eb95237b97ebca7 [0,1,0,0,0,0|1,0,0]=2 724 B12R1.114 O=Cc1ccc(c(c1)I)OCF 725448561840d4dc4ea691d62bbc4d52 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.114 O=Cc1ccc(c(n1)Br)OCF 225cb473f736e4f7db3c93c1cdd0b902 [0,1,0,0,0,0|2,0,0]=3 726 B12R1.114 O=Cc1cnc(c(c1)Br)NCF 008235906fba0f8964518dd08b6c508d [0,1,0,0,0,0|3,0,0]=4 727 B12R1.114 O=Cc1cnc(c(c1)Br)NCO 5c9d3a1ef7f6757965d975f18d9a5a19 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.114 O=Cc1cnc(c(c1)Cl)OCF 230359077f1b209b75f3a78f427a18eb [0,1,0,0,0,0|2,0,0]=3 729 B12R1.114 O=Cc1cnc(c(c1)F)OCF 81df05f5f19eaca2b94692bb70f2588b [0,1,0,0,0,0|2,0,0]=3 730 B12R1.116 C#CCc1ccc(cc1)OCC 217fd972950ef60d01ba20031e1c54d2 [0,1,0,0,0,0|1,0,1]=3 731 B12R1.116 C#CCc1ccc(cc1)OCF 9e6583f456bf93e14577f71f26d60283 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.116 C=CCc1ccc(cc1)NC=O 7d8cdeb15f478123758cab5900c4fe41 [0,1,0,0,0,0|1,0,2]=4 733 B12R1.116 C=CCc1ccc(cc1)NCC 76cf3f6839e9819fdc0ccabbe1cba9a6 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.116 C=CCc1ccc(cc1)NCF 8195ae7c4eff70f8049cff3cc284be29 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.116 C=CCc1ccc(cc1)NCO 6baea3b81ead57f4ec52f061cab762ea [0,1,0,0,0,0|3,0,0]=4 736 B12R1.116 C=CCc1ccc(cc1)OCC e0366c1eaff6d402c4574bf903ad8f07 [0,1,0,0,0,0|1,0,0]=2 737 B12R1.116 C=CCc1ccc(cc1)OCF e067c7b0d3f177dbfecf720e8bbd3c28 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.116 CCCc1ccc(cc1)NC=O aa18d4d4986e694d624f91117086e0d4 [0,1,0,0,0,0|1,0,0]=2 739 B12R1.116 CCCc1ccc(cc1)NCC 905c43004537010e264598b20c1cdd02 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.116 CCCc1ccc(cc1)NCF afe48992e285551fbbecfcb2c7685970 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.116 CCCc1ccc(cc1)NCO 428b7a12bce35053ad8cbd8e28c492c3 [0,1,0,0,0,0|1,0,2]=4 742 B12R1.116 CCCc1ccc(cc1)OCF 888893c523a3fe7879a9c7d418f35d17 [0,1,0,0,0,0|2,0,1]=4 743 B12R1.116 CCNc1ccc(cc1)CC#N 65231e28458245695241f6ccd544133b [0,1,0,0,0,0|2,0,1]=4 744 B12R1.116 CCNc1ccc(cc1)CCBr a13589b7bc423db3312e19b8f2a5e22a [0,1,0,0,0,0|2,0,1]=4 745 B12R1.116 CCNc1ccc(cc1)CCO a95accf379cea510f57d44904cc207c0 [0,1,0,0,0,0|1,0,2]=4 746 B12R1.116 CCNc1ccc(cc1)COC b610a9d71b5ba60f3928bbf09d0e5492 [0,1,0,0,0,0|1,0,2]=4 747 B12R1.116 CCNc1ccc(cc1)CSC 5433b1f0a74c0b5fa3877354c85b99f9 [0,1,0,0,0,0|1,1,1]=4 748 B12R1.116 CCNc1ccc(cc1)OCC 532b1e64c07417441c842e1b966cfedc [0,1,0,0,0,0|1,0,1]=3 749 B12R1.116 CCNc1ccc(cc1)OCF 8134a8e4d6947fcd0ff91985276d57bf [0,1,0,0,0,0|2,0,1]=4 750 B12R1.116 CCNc1ccc(cc1)SC#N 2f8c397c77d393ddd61e68aadf97f0d9 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.116 CCNc1ccc(cn1)OCC 6f1db737b23bbcff230264024aa69255 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.116 CCNc1ccc(nc1)OCC b55b2399d44bfe0ae6a4236338f4c3ba [0,1,0,0,0,0|2,0,1]=4 753 B12R1.116 CCOc1ccc(cc1)CC#N 1bde56eb0d31b50c9403a5cddb293beb [0,1,0,0,0,0|1,0,1]=3 754 B12R1.116 CCOc1ccc(cc1)CC=O d396566923ca8b1263eeb7e7a1a9ca05 [0,1,0,0,0,0|0,0,0]=1 755 B12R1.116 CCOc1ccc(cc1)CCF 8e58c47608395f795be3a7e7c7f73e0d [0,1,0,0,0,0|1,0,1]=3 756 B12R1.116 CCOc1ccc(cc1)COC d54c81061959349a004f1282a936bd96 [0,1,0,0,0,0|0,0,2]=3 757 B12R1.116 CCOc1ccc(cc1)NC=O b2a95d08ee862dc8f9740ff99ca19d37 [0,1,0,0,0,0|0,0,0]=1 758 B12R1.116 CCOc1ccc(cc1)NCF eb00be5f7999409b139ec10bac3f698d [0,1,0,0,0,0|1,0,1]=3 759 B12R1.116 CCOc1ccc(cc1)NCO 30cd6a89be1ee5274c318c0b4fadddb2 [0,1,0,0,0,0|0,0,2]=3 760 B12R1.116 CCOc1ccc(cc1)OCC 38ab91c66f4b734b7bb132e224ee9558 [0,1,0,0,0,0|1,0,1]=3 761 B12R1.116 CCOc1ccc(cc1)OCF 137f0af2e139655f0b28e21c6a56b133 [0,1,0,0,0,0|1,0,1]=3 762 B12R1.116 CCOc1ccc(cc1)SCC 2be5fc0761daf22311becb0191f9348d [0,1,0,0,0,0|1,0,1]=3 763 B12R1.116 CCOc1ccc(cn1)NC=O da6331fe5425d4b576381760a5319c9f [0,1,0,0,0,0|1,0,0]=2 764 B12R1.116 CCOc1ccc(cn1)NCF 8e386a46594e3f3ddd9c1931f5d0ac8f [0,1,0,0,0,0|2,0,1]=4 765 B12R1.116 CCOc1ccc(cn1)NCO 8e381a3a6d75d4610fabbf853b39cdf0 [0,1,0,0,0,0|1,0,2]=4 766 B12R1.116 CCOc1ccc(cn1)OCF 307b1b394dc7f7b19864ae5407e2294c [0,1,0,0,0,0|2,0,1]=4 767 B12R1.116 CCOc1ccc(nc1)NC#N 518649cfeb757c2c66aba5d914269195 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.116 CCOc1ccc(nc1)NC=O 4191d5d00414a1957545a6be816ef7ae [0,1,0,0,0,0|1,0,0]=2 769 B12R1.116 CCOc1ccc(nc1)NCF 76a18d6b876525cfb8534b05aa69a54d [0,1,0,0,0,0|2,0,1]=4 770 B12R1.116 CCOc1ccc(nc1)NCO e087cc83dcdf17c0f727ad9d415430ca [0,1,0,0,0,0|1,0,2]=4 771 B12R1.116 CCOc1ccc(nc1)OCC d3e3b932a08a0fd08d2df732ec76401e [0,1,0,0,0,0|2,0,1]=4 772 B12R1.116 CCOc1ccc(nn1)NC=O 5c02c6ed98394fb3e0df08c0483e98b1 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.116 CCOc1cnc(cn1)NC=O 3774d3ffeaf44d2b514700ed443ca30c [0,1,0,0,0,0|2,0,0]=3 774 B12R1.116 CCOc1ncc(cn1)NC=O ade10ec6fa6179d11e1ea59a751c51c0 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.116 CCSc1ccc(cc1)OCF 002df6a8f93d9b5714e218fc645e5fa5 [0,1,0,0,0,0|1,1,1]=4 776 B12R1.116 COCc1ccc(cc1)NC=O d77b1cdc2fbf93e7688cef0ab91e7ec7 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.116 COCc1ccc(cc1)OCF e95b5e21eea05cdc15b1ea5720eac490 [0,1,0,0,0,0|1,0,2]=4 778 B12R1.116 CSCc1ccc(cc1)NC=O d86b6d63ddc26225271756dd0ed3d5d0 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.116 FCCc1ccc(cc1)OCF 6adaf09a79baa9b987d71649c0e0d889 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.116 FCNc1ccc(cc1)OCF ff2d70c45e37cf048b503846b69de3e0 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.116 N#CCc1ccc(cc1)NC=O 2cddf7ea2a272b2858da1db831867504 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.116 N#CCc1ccc(cc1)OCF a034161e7d0e2d5bc8bf311f93a9e868 [0,1,0,0,0,0|2,0,1]=4 783 B12R1.116 N#CNc1ccc(cc1)CC=O d0b729cd33d977814f9feca65eb7feab [0,1,0,0,0,0|2,0,1]=4 784 B12R1.116 N#CNc1ccc(cc1)NC=O a650d02355923112ee8f9a926e23f79f [0,1,0,0,0,0|2,0,1]=4 785 B12R1.116 N#CSc1ccc(cc1)NC=O a824a531df1f36d15e0b3d7ebfe85367 [0,1,0,0,0,0|1,1,1]=4 786 B12R1.116 O=CCc1ccc(cc1)OCF 9870f5aa35243ec3b3c997dda6c0ddd5 [0,1,0,0,0,0|1,0,0]=2 787 B12R1.116 O=CNc1ccc(cc1)CCBr 5e21c8f8accd603f00e48348bd2db86a [0,1,0,0,0,0|2,0,0]=3 788 B12R1.116 O=CNc1ccc(cc1)CCO 23a360879cf3725f1c436b5bd4d67e8e [0,1,0,0,0,0|2,0,0]=3 789 B12R1.116 O=CNc1ccc(cc1)OCF e04836327428587b8e216a769a7750c1 [0,1,0,0,0,0|1,0,0]=2 790 B12R1.116 OCNc1ccc(cc1)OCF f5d09628b027941d08bb2c3fc009efdf [0,1,0,0,0,0|1,0,2]=4 791 B12R1.288 C#Cc1ccc(cc1Cl)NCC eec3f15a6ac2090198d3c85c263c72b7 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.288 C#Cc1ccc(cc1F)NCC 180da8b0190cf662fded9f372dd4f062 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.288 CCNc1ccc(c(c1)Br)C#N 3092db81f81df89bc1ecca83aa6b59e3 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.288 CCNc1ccc(c(c1)Br)C=O 453bfa34686a671bdab29003e2c4cec1 [0,1,0,0,0,0|1,0,0]=2 795 B12R1.288 CCNc1ccc(c(c1)Br)CC 2d3367c0d6131e24439d1ac1025238d5 [0,1,0,0,0,0|2,0,1]=4 796 B12R1.288 CCNc1ccc(c(c1)Br)CO 793d3b083aa8f9a8fa41c14400a4de03 [0,1,0,0,0,0|1,0,2]=4 797 B12R1.288 CCNc1ccc(c(c1)Br)OC f33755073e5a2f1b32a0c367ee8308cc [0,1,0,0,0,0|3,0,0]=4 798 B12R1.288 CCNc1ccc(c(c1)C)C#N 5bdbff4d5c46ac6657313dd93c474546 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.288 CCNc1ccc(c(c1)C)CO aa120557ba157a55476be22665067272 [0,1,0,0,0,0|1,0,2]=4 800 B12R1.288 CCNc1ccc(c(c1)C)OC 5a357e499dde1220b4dac4279cc340ef [0,1,0,0,0,0|3,0,0]=4 801 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 2aa9d5fff071cfe0b19b75d8dc76c83a [0,1,0,0,0,0|2,0,1]=4 802 B12R1.288 CCNc1ccc(c(c1)Cl)C=O 1e58c995af2ed33eb148058b09c81fa8 [0,1,0,0,0,0|1,0,0]=2 803 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a721a2a1f20e11a90dfcfb7e707b3e2 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.288 CCNc1ccc(c(c1)Cl)CO 78772761602bc3875ff07d1d8e71c02b [0,1,0,0,0,0|1,0,2]=4 805 B12R1.288 CCNc1ccc(c(c1)Cl)OC 5e37cf78a06e808f96e2e50f64d78827 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.288 CCNc1ccc(c(c1)Cl)SC af8435d65b52e42ebc5a44a77342d4d4 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.288 CCNc1ccc(c(c1)F)C#N dccc9b3dc521d5706fe9f2647398422e [0,1,0,0,0,0|2,0,1]=4 808 B12R1.288 CCNc1ccc(c(c1)F)C=O 71fcbba248cbaacf38d87632f1239d49 [0,1,0,0,0,0|1,0,0]=2 809 B12R1.288 CCNc1ccc(c(c1)F)CO af921b4582a5722f7a380b496d79767f [0,1,0,0,0,0|1,0,2]=4 810 B12R1.288 CCNc1ccc(c(c1)F)OC 8c0a18cfa5742be403f36667110ea17e [0,1,0,0,0,0|3,0,0]=4 811 B12R1.288 CCNc1ccc(c(c1)F)SC 78190f66367f27cd6f258b7cf72e4fd1 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.288 CCNc1ccc(c(c1)I)CO 0973177f1fb0dc020f77d73cf881b1e2 [0,1,0,0,0,0|1,0,2]=4 813 B12R1.288 CCNc1ccc(c(c1)I)OC 7f04137b2021df2eef8ea4b417ce4caf [0,1,0,0,0,0|3,0,0]=4 814 B12R1.288 CCNc1ccc(c(n1)C)C=O 0fdab1966e064682d64bc1efd93a6e5e [0,1,0,0,0,0|2,0,0]=3 815 B12R1.288 CCNc1ncc(c(=O)[nH]1)C=O afdfb994185eaa64cffbcefffd7d3300 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.288 CCNc1ncc(c(n1)C)C=O e2b113c8f2a2d58b9b7b6363645fbd7e [0,1,0,0,0,0|3,0,0]=4 817 B12R1.288 CCNc1ncc(c(n1)Cl)C=O 1ae0ff0b1da2f130785510a08e2a89f9 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.288 CCOc1cc(c(cn1)C#N)C f7096edf4d3b6fc752f5cf13bdd594b4 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.288 CCOc1ccc(c(c1)Br)C#N a9f95230211e9240ac3a7e17aa95c0d6 [0,1,0,0,0,0|1,0,1]=3 820 B12R1.288 CCOc1ccc(c(c1)Br)C=O 2b1f24fade03fde71f80ba0e00389b3c [0,1,0,0,0,0|0,0,0]=1 821 B12R1.288 CCOc1ccc(c(c1)Br)CC 0599b6f3a186e3146a3c2faba5fd31a2 [0,1,0,0,0,0|1,0,1]=3 822 B12R1.288 CCOc1ccc(c(c1)Br)OC eb16c24b24c083bcaf5993d2501889d4 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.288 CCOc1ccc(c(c1)C)C#N ca762e80bbf87768c52478c2b6df201c [0,1,0,0,0,0|1,0,1]=3 824 B12R1.288 CCOc1ccc(c(c1)C)C=O 9263f779ce60fda3ccf45ae44ec66185 [0,1,0,0,0,0|0,0,0]=1 825 B12R1.288 CCOc1ccc(c(c1)C)OC f971b9cac535e9e0fda2d524a5fae79d [0,1,0,0,0,0|2,0,0]=3 826 B12R1.288 CCOc1ccc(c(c1)C)SC 252c2c72e59ee2005a95a8e0003145af [0,1,0,0,0,0|2,0,0]=3 827 B12R1.288 CCOc1ccc(c(c1)Cl)C#N a2f619a1fec578b1f29afeec5f466360 [0,1,0,0,0,0|1,0,1]=3 828 B12R1.288 CCOc1ccc(c(c1)Cl)C=O 3cf78651626f3c17868c313afa6977ff [0,1,0,0,0,0|0,0,0]=1 829 B12R1.288 CCOc1ccc(c(c1)Cl)CC 47e969f863ce2ff770fe9bada1f606ac [0,1,0,0,0,0|1,0,1]=3 830 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7c8d7fd4fe679eba974f97a0e07c291e [0,1,0,0,0,0|2,0,0]=3 831 B12R1.288 CCOc1ccc(c(c1)Cl)SC 102022007a76eab0c17e7ebebaaf4210 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.288 CCOc1ccc(c(c1)F)C#N dfaa100664cac194210285e5b099cd26 [0,1,0,0,0,0|1,0,1]=3 833 B12R1.288 CCOc1ccc(c(c1)F)C=O 84906cc1f5a65aef3afc68446f39b7de [0,1,0,0,0,0|0,0,0]=1 834 B12R1.288 CCOc1ccc(c(c1)F)CC 582e827343e6e7e19cb2383c9ee0e209 [0,1,0,0,0,0|1,0,1]=3 835 B12R1.288 CCOc1ccc(c(c1)F)OC 707405be96b592f1043d3c2b907dd1f0 [0,1,0,0,0,0|2,0,0]=3 836 B12R1.288 CCOc1ccc(c(c1)F)SC 96b5caa783b465630eb5b13c4458e66d [0,1,0,0,0,0|2,0,0]=3 837 B12R1.288 CCOc1ccc(c(c1)I)C#N e8b19f58e5497ed45c642d89deb693f4 [0,1,0,0,0,0|1,0,1]=3 838 B12R1.288 CCOc1ccc(c(c1)I)C=O b6ba9b839a779b2f60d5dfa6145a5e72 [0,1,0,0,0,0|0,0,0]=1 839 B12R1.288 CCOc1ccc(c(c1)I)OC 16096f6739c9be9148f00d7d9077f5a3 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.288 CCOc1cnc(c(c1)Br)C#N bb0330a8d69640bde7b8724aa1edf152 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.288 CCOc1cnc(c(c1)Br)OC b7b37dd83cc9f3cd9bd175ac8e644076 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.288 CCOc1cnc(c(c1)C)C#N 69fc1951697eb91b5185211bcefdf292 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.288 CCOc1cnc(c(c1)C)OC a5b7c5b0d64fee2ee3f3bfb83f50942c [0,1,0,0,0,0|3,0,0]=4 844 B12R1.288 CCOc1cnc(c(c1)C)SC 4adb7912b35953785d6db55d5eac5a86 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.288 CCOc1cnc(c(c1)Cl)C=O 096edc7352f69b5c826080a0812e9382 [0,1,0,0,0,0|1,0,0]=2 846 B12R1.288 CCOc1cnc(c(c1)Cl)OC d7d0a7768b14c87acc2ffaee8ddd9335 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.288 CCOc1cnc(c(c1)F)C=O 9dba18d811627b02b06856be88ea113b [0,1,0,0,0,0|1,0,0]=2 848 B12R1.288 CCOc1cnc(c(c1)F)OC dc6e80735c9cf8bc4698b6c103ce741d [0,1,0,0,0,0|3,0,0]=4 849 B12R1.288 CCc1ccc(cc1Br)OCF 0da854d84c5b3e09844d7067c3bfb36b [0,1,0,0,0,0|2,0,1]=4 850 B12R1.288 CCc1ccc(cc1Cl)OCF 3562445da8ab2aeced884ab6d2910200 [0,1,0,0,0,0|2,0,1]=4 851 B12R1.288 CCc1ccc(cc1F)OCF 6b6984cc921868cc2fd314ef8f38415e [0,1,0,0,0,0|2,0,1]=4 852 B12R1.288 COc1ccc(cc1Br)OCF a80d9cd3f97f0030a28147826a207e60 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.288 COc1ccc(cc1C)OCF 9ff5b7ad6a8dc967133e6849b5c3d122 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.288 COc1ccc(cc1Cl)OCF 81f62b41b0ede62978c0e281a880b4c3 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.288 COc1ccc(cc1F)OCF 0e4cf4e58aaa38211af367f09a504b63 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.288 COc1ccc(cc1I)OCF 4a59de0e97e9a9c47b8bd7f1837f96cb [0,1,0,0,0,0|3,0,0]=4 857 B12R1.288 CSc1ccc(cc1C)OCF de5647de2ed679d5b60ae8b7e174d82f [0,1,0,0,0,0|3,0,0]=4 858 B12R1.288 CSc1ccc(cc1Cl)OCF 160ca7b23d41c189d6f10c6dcbd5b445 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.288 CSc1ccc(cc1F)OCF 441065bb0df910e50d1a45982dde46d7 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.288 Cc1cc(ccc1C#N)OCF 4214c38ddd7f9ae017d08afa4473599b [0,1,0,0,0,0|2,0,1]=4 861 B12R1.288 Cc1cc(ccc1C=O)OCF 51d0f9c153ccc96248191a75c10d9a1a [0,1,0,0,0,0|1,0,0]=2 862 B12R1.288 Cc1nc(ccc1C=O)NCF 7a30533163d6c80cd65a1bc7b4f246de [0,1,0,0,0,0|3,0,0]=4 863 B12R1.288 Cc1nc(ccc1C=O)NCO 0f0b4729512f52a304bb1804c8fc7062 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.288 N#Cc1ccc(cc1Br)OCF 66c5503bdf851e56aadb7bf1719bbe4c [0,1,0,0,0,0|2,0,1]=4 865 B12R1.288 N#Cc1ccc(cc1Cl)OCF 78e589ae1a57af1f76de0689fa0612a2 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.288 N#Cc1ccc(cc1F)OCF c2a6005db82f3b6d7e29ba862f4daab7 [0,1,0,0,0,0|2,0,1]=4 867 B12R1.288 N#Cc1ccc(cc1I)OCF 11678c84055d9a6bd656c4390478c01b [0,1,0,0,0,0|2,0,1]=4 868 B12R1.288 O=CNc1ccc(c(c1)F)C=O d2c0fe4b075d11e5453938fd4438906c [0,1,0,0,0,0|2,0,1]=4 869 B12R1.288 O=Cc1ccc(cc1Br)NCF c948c3387474719215b79914f86a7f25 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.288 O=Cc1ccc(cc1Br)NCO 104719d02cc1055c909c12c983734a27 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.288 O=Cc1ccc(cc1Br)OCF 3d205eb00e05a01d947374e81f763eed [0,1,0,0,0,0|1,0,0]=2 872 B12R1.288 O=Cc1ccc(cc1Cl)NCF 335cb56735f871343bed76b26980ff38 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.288 O=Cc1ccc(cc1Cl)NCO 0c0a187c54caaf006a051f8f9c79f860 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.288 O=Cc1ccc(cc1Cl)OCF 8abc73d2f8637da08ad8210c9830113b [0,1,0,0,0,0|1,0,0]=2 875 B12R1.288 O=Cc1ccc(cc1F)NCF a054c642773b198722ecf11cba4f6512 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.288 O=Cc1ccc(cc1F)NCO 4143d5ef18237b7b28b317cacfdd1ebb [0,1,0,0,0,0|2,0,0]=3 877 B12R1.288 O=Cc1ccc(cc1F)OCF 1bebfdcc48ec6573bf9f43c14a472d1d [0,1,0,0,0,0|1,0,0]=2 878 B12R1.288 O=Cc1ccc(cc1I)OCF 7312be805fb7914b36249cb62fad5288 [0,1,0,0,0,0|1,0,0]=2 879 B12R1.288 O=Cc1ncc(cc1Cl)OCF 1b12f01c879db55d570e48ce93877216 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.288 O=Cc1ncc(cc1F)OCF 9fd69bc9d5fb864ac80e89b03d171ea4 [0,1,0,0,0,0|2,0,0]=3 881 B10R0.108 C=C(C=O)OCC(=O)OCC 4a2ac0ee4b382f6ad71561a758e71761 [0,0,1,0,0,0|2,0,1]=4 882 B12R2.143 CCNc1ccc2c(c1)CC2 07ea1705f0da032980e01b039f2c2595 [0,0,0,1,0,0|2,0,1]=4 883 B10R1.96 CCNc1nc(cs1)C=O affc5d33f2f9552fa24ef2ac37fd4f57 [0,0,0,0,1,0|3,0,0]=4 884 B10R1.96 CCNc1ncc(s1)C=O dce1da526516ed9a0970f01dd1717969 [0,0,0,0,1,0|3,0,0]=4 885 B10R1.96 CCOc1csc(c1)C=O 487cd3d62bad684d0c5e11d294237264 [0,0,0,0,1,0|1,0,0]=2 886 B10R1.96 O=Cc1cc(cs1)OCF 1b6f8c42bd0aa96530f649d0e1a93353 [0,0,0,0,1,0|2,0,0]=3 887 B9R0.24 C=C(C=O)OCC(=C)OC 98831279f5e088d70f197796d78f1ec1 [1,0,1,0,0,0|1,0,1]=4 888 B9R0.24 C=C(CC)COC(=C)C=O 5c18cade9a1def0b3423eb7521b89d38 [1,0,1,0,0,0|1,0,1]=4 889 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [2,0,0,0,0,0|1,0,0]=3 890 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [2,0,0,0,0,0|2,0,0]=4 891 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [2,0,0,0,0,0|2,0,0]=4 892 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [2,0,0,0,0,0|2,0,0]=4 893 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [2,0,0,0,0,0|1,0,0]=3 894 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [2,0,0,0,0,0|1,0,0]=3 895 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [2,0,0,0,0,0|1,0,0]=3 896 B9R1.8 CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [2,0,0,0,0,0|2,0,0]=4 897 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [2,0,0,0,0,0|2,0,0]=4 898 B9R1.8 CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [2,0,0,0,0,0|2,0,0]=4 899 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [2,0,0,0,0,0|2,0,0]=4 900 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [2,0,0,0,0,0|2,0,0]=4 901 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [2,0,0,0,0,0|2,0,0]=4 902 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [2,0,0,0,0,0|2,0,0]=4 903 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [2,0,0,0,0,0|2,0,0]=4 904 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [2,0,0,0,0,0|2,0,0]=4 905 B11R0.70 C=C(C=O)OCC(=C)OCOC 2c0b64194fea208c50681354076f04bf [0,1,1,0,0,0|1,0,1]=4 906 B11R1.1 C#CCOc1ccc(cc1)Br 4060fdb277e13444e48fd8ffc2e01d06 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.1 C#CCOc1ccc(cc1)C 896547e9686664dd8ea557b7ec0e9941 [1,1,0,0,0,0|0,0,2]=4 908 B11R1.1 C#CCOc1ccc(cc1)Cl 4412f9679d6b6c5bb1c7afaf4d63837c [1,1,0,0,0,0|1,0,1]=4 909 B11R1.1 C#CCOc1ccc(cc1)F f5ee94ae0ebda38907ff4450ba45b6e7 [1,1,0,0,0,0|1,0,1]=4 910 B11R1.1 C#CCOc1ccc(cc1)I 4d37462fd18b6cf07845e2db48718c8b [1,1,0,0,0,0|1,0,1]=4 911 B11R1.1 C#CCOc1ccc(cc1)S 0f5e88c4a670425d2c1de69cb9a0702c [1,1,0,0,0,0|0,1,1]=4 912 B11R1.1 C=CCOc1ccc(cc1)Br 4caddf4c4fa821b8a23c3e22b37a63a5 [1,1,0,0,0,0|1,0,1]=4 913 B11R1.1 C=CCOc1ccc(cc1)C cef0428792cf4168ad9fd81785326672 [1,1,0,0,0,0|0,0,2]=4 914 B11R1.1 C=CCOc1ccc(cc1)Cl d433b2e6e63cf4589dfcd18b4828cc35 [1,1,0,0,0,0|1,0,1]=4 915 B11R1.1 C=CCOc1ccc(cc1)F 623e09165a78fc8bfadfaf0dca3fcb71 [1,1,0,0,0,0|1,0,1]=4 916 B11R1.1 C=CCOc1ccc(cc1)I 92187a6fbc41b07a7b0a3b019b772fa1 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.1 C=CCOc1ccc(cc1)S 6f29ee42ebfe44e544a0b50ff22fc196 [1,1,0,0,0,0|0,1,1]=4 918 B11R1.1 CCCNc1ccc(=O)[nH]c1 788491b37865b7508a806e3465be9c1e [1,1,0,0,0,0|2,0,0]=4 919 B11R1.1 CCCNc1ccc(cc1)Br 95e3de2d252597fde5ce9a477304d00e [1,1,0,0,0,0|2,0,0]=4 920 B11R1.1 CCCNc1ccc(cc1)C 60206ed79d50ce0b51d2c9baa6a9bfd8 [1,1,0,0,0,0|1,0,1]=4 921 B11R1.1 CCCNc1ccc(cc1)Cl 78619a742ccf6ba08a4394e2ee033c54 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.1 CCCNc1ccc(cc1)F 03593481ab116133e85310d463cb3940 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.1 CCCNc1ccc(cc1)I 1d619469e460bbb1d49ca10b65682c62 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.1 CCCNc1ccc(cc1)S 5de90476a8c0464c76157dc952d2c04c [1,1,0,0,0,0|1,1,0]=4 925 B11R1.1 CCCOc1ccc(cc1)Br fcee74d69e8e023a5434abc8b0385424 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.1 CCCOc1ccc(cc1)C 4fdcf2ff939bb0420513a197f77843e9 [1,1,0,0,0,0|0,0,1]=3 927 B11R1.1 CCCOc1ccc(cc1)Cl 6ca291266ab2c05a274ea67a7fbcb647 [1,1,0,0,0,0|1,0,0]=3 928 B11R1.1 CCCOc1ccc(cc1)F 18444060e70b801a4550e15d090495f3 [1,1,0,0,0,0|1,0,0]=3 929 B11R1.1 CCCOc1ccc(cc1)I 1cc2cc68a2ed4244fd1e94b3d6df9d5e [1,1,0,0,0,0|1,0,0]=3 930 B11R1.1 CCCOc1ccc(cc1)S 5c2ad8fc9e5698065bd7177da22c3e46 [1,1,0,0,0,0|0,1,0]=3 931 B11R1.1 CCCOc1ccc(cn1)C a2aa3425c184ebbd01762c44679803c0 [1,1,0,0,0,0|1,0,1]=4 932 B11R1.1 CCCOc1ccc(cn1)Cl 0c1b7fe9f246d104ebcbc468a16004c1 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.1 CCCOc1ccc(cn1)F 6a93fffcdab2ace921c013c1d2a630f1 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.1 CCCOc1ccc(cn1)I ca1682e59f74f1735f8a64800a62750a [1,1,0,0,0,0|2,0,0]=4 935 B11R1.1 CCCOc1ccc(nc1)Br c0aef75a4817cab606425a2121c50d36 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.1 CCCOc1ccc(nc1)C e7dbc804100b6abbbe2b0f45f45546ba [1,1,0,0,0,0|1,0,1]=4 937 B11R1.1 CCCOc1ccc(nc1)Cl 18ab5a610d56358eac2068ee56cbca89 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.1 CCCOc1ccc(nc1)F d5473478a7dbdb85a03b2038e1b4207d [1,1,0,0,0,0|2,0,0]=4 939 B11R1.1 CCCOc1ccc(nc1)I 8a80b63748b30da8afc9dd9cedc24183 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.1 CCNCc1ccc(=O)[nH]c1 1254ebee348ff16c368fd1d2a91b5fef [1,1,0,0,0,0|2,0,0]=4 941 B11R1.1 CCNCc1ccc(cc1)Br 2cd51938999c20d02733c25a0b5c4804 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.1 CCNCc1ccc(cc1)C 587aa1ee1f45a7f7f3762adcf6ab1e89 [1,1,0,0,0,0|1,0,1]=4 943 B11R1.1 CCNCc1ccc(cc1)Cl 521dc09ab663236062b599824b274153 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.1 CCNCc1ccc(cc1)F 507a49f5c428a46a95718b00a3fd1bd9 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.1 CCNCc1ccc(cc1)I cb00fc5924e1405950f010ec806d6a94 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.1 CCOCc1cc[n+](cc1)[O-] c821ee3885c58d89975b7f31b845487a [1,1,0,0,0,0|1,0,1]=4 947 B11R1.1 CCOCc1ccc(cc1)Br 55e365425e5287f17bedcdf9c6cf8797 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.1 CCOCc1ccc(cc1)C 4d215a4a9529a309b910ed7006942890 [1,1,0,0,0,0|0,0,1]=3 949 B11R1.1 CCOCc1ccc(cc1)Cl 162fb8a5396843344a75f2243153a2a9 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.1 CCOCc1ccc(cc1)F 67e386059816bee45125127b16cfcbee [1,1,0,0,0,0|1,0,0]=3 951 B11R1.1 CCOCc1ccc(cc1)I 25d977d51d9f47d9f153070d57dca8b8 [1,1,0,0,0,0|1,0,0]=3 952 B11R1.1 CCOCc1ccc(cc1)S 51de74da01a41ad35713330690173be6 [1,1,0,0,0,0|0,1,0]=3 953 B11R1.1 CCOCc1ccc(cn1)Br 7fa2d6660ca0fac0c5d496c90646d302 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.1 CCOCc1ccc(cn1)C d87497b35c5f44e142aec59de5813e88 [1,1,0,0,0,0|1,0,1]=4 955 B11R1.1 CCOCc1ccc(cn1)Cl 6991b553b81a946d1923a2d827bfdbc3 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.1 CCOCc1ccc(cn1)F c13b565598015e639c197d30e6fbe232 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.1 CCOCc1ccc(cn1)I 401d1ae041509fd6bf393ad89597efa1 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.1 CCOCc1ccc(nc1)Br 16508d9e74e22116b4378afff1fa9aa5 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.1 CCOCc1ccc(nc1)C a880cc0302e1c9d4e4d89c1a296d8d06 [1,1,0,0,0,0|1,0,1]=4 960 B11R1.1 CCOCc1ccc(nc1)Cl 78e1cd2f782133a4dfac861a528ccf0c [1,1,0,0,0,0|2,0,0]=4 961 B11R1.1 CCOCc1ccc(nc1)F 965c536d19c11eee65b05ccac1580358 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.1 COCNc1ccc(=O)[nH]c1 b4a2449cedb2e1b491a9c0d57d7f1632 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.1 COCNc1ccc(cc1)Br 239c0132d7f14bf3bf07ff69790489a4 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.1 COCNc1ccc(cc1)C e4f246b36607f9f18bc5aa859e62100a [1,1,0,0,0,0|1,0,1]=4 965 B11R1.1 COCNc1ccc(cc1)Cl 9367c645aa9d92ecdc3a5eedabcc13c5 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.1 COCNc1ccc(cc1)F f296a10dbbbc66104f13afdffc18051f [1,1,0,0,0,0|2,0,0]=4 967 B11R1.1 COCNc1ccc(cc1)I 021e3c73bb722af1abf9e932759670c7 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.1 COCNc1ccc(cc1)S b5677477be0bd1f2c09ba9bfaae89e50 [1,1,0,0,0,0|1,1,0]=4 969 B11R1.1 COCOc1ccc(cc1)Br 4c7a6b8e747219dccfee467c9fcd68b9 [1,1,0,0,0,0|1,0,0]=3 970 B11R1.1 COCOc1ccc(cc1)C 6de4302c41d46032c578a0645b570acc [1,1,0,0,0,0|0,0,1]=3 971 B11R1.1 COCOc1ccc(cc1)Cl fdd4da30c0d821dac2a0c1ce91307d0f [1,1,0,0,0,0|1,0,0]=3 972 B11R1.1 COCOc1ccc(cc1)F d726aa507ee8c13d395daa40b41c2957 [1,1,0,0,0,0|1,0,0]=3 973 B11R1.1 COCOc1ccc(cc1)I df653f5f1ee1638a0aae84a7d8d68f8d [1,1,0,0,0,0|1,0,0]=3 974 B11R1.1 COCOc1ccc(cc1)S eb0b44c1e1c77f48cae0fd09b89123bf [1,1,0,0,0,0|0,1,0]=3 975 B11R1.1 COCOc1ccc(cn1)C 1843af41304aa6e2c88f2a0c48329c6c [1,1,0,0,0,0|1,0,1]=4 976 B11R1.1 COCOc1ccc(cn1)Cl 76d137fbe0f9bd159ffa6657e8141956 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.1 COCOc1ccc(cn1)F ea228b8dcd59e2d303f724d0e06cdd97 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.1 COCOc1ccc(cn1)I 6a318e58869e2af374a0226b608f1874 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.1 COCOc1ccc(nc1)Br 2704f489a020362de9b7145a86193846 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.1 COCOc1ccc(nc1)C 67dbeac8ce2d0a66189b3e7d9573b367 [1,1,0,0,0,0|1,0,1]=4 981 B11R1.1 COCOc1ccc(nc1)Cl f6111026c443a1b1564066419f97c0ee [1,1,0,0,0,0|2,0,0]=4 982 B11R1.1 COCOc1ccc(nc1)F 2fe6784ad778bff9cb80932d266dfeb9 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.1 COCOc1ccc(nc1)I 582423fe3f3a53fff996fd66abd09fd3 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.1 CSCNc1ccc(=O)[nH]c1 62ab78a03567958267bec0430980ef6f [1,1,0,0,0,0|2,0,0]=4 985 B11R1.1 CSCNc1ccc(cc1)Br 7d08b9f3e3f2fe34f6d8e854d51e1202 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.1 CSCNc1ccc(cc1)C 7cc547f88ae9a9501b6ce615095d8aea [1,1,0,0,0,0|1,0,1]=4 987 B11R1.1 CSCNc1ccc(cc1)Cl bf742730b893efd050ccc2ddd2ce37af [1,1,0,0,0,0|2,0,0]=4 988 B11R1.1 CSCNc1ccc(cc1)F 475459e06b9cf82ddf55d707b377d320 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.1 CSCNc1ccc(cc1)I 8b3c0b54c1e3dd9102ae085ef652923c [1,1,0,0,0,0|2,0,0]=4 990 B11R1.1 CSCNc1ccc(cc1)S b2c1b0484112c3320d0a0a482bf3fabe [1,1,0,0,0,0|1,1,0]=4 991 B11R1.1 CSCOc1ccc(cc1)Br f5a0542c9ba04fa96a3d6a460de6215d [1,1,0,0,0,0|1,0,0]=3 992 B11R1.1 CSCOc1ccc(cc1)C 35277f269b6e4bad5ee1cc6923a583fd [1,1,0,0,0,0|0,0,1]=3 993 B11R1.1 CSCOc1ccc(cc1)Cl 818101ab26ff3d96beedc8f3f9d2fff2 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.1 CSCOc1ccc(cc1)F aa65f6b5260241febe6e598cb66d47bd [1,1,0,0,0,0|1,0,0]=3 995 B11R1.1 CSCOc1ccc(cc1)I 0cc9619b354e201460eaff3ce7c4b6e3 [1,1,0,0,0,0|1,0,0]=3 996 B11R1.1 CSCOc1ccc(cc1)S 5eb766d81a2c5ac1d793ebde9bbc88c4 [1,1,0,0,0,0|0,1,0]=3 997 B11R1.1 CSCOc1ccc(cn1)C 23dab940603659dd1961d8dabf9e9d54 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.1 CSCOc1ccc(cn1)Cl 267a2b42ae207e68f7e607ae81db2125 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.1 CSCOc1ccc(cn1)F 5369a20d0af3e7b5d9bf45f8e5768082 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.1 CSCOc1ccc(cn1)I 2e95527b9e2725ee105d852c39d59c2e [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.1 CSCOc1ccc(nc1)Br 78fdb59d6147dc2019e0a9b544f5eaf0 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.1 CSCOc1ccc(nc1)C 6f8114890842d135092685d5d6777a64 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.1 CSCOc1ccc(nc1)Cl 5d811a91df457bcf86d230ee079bbd08 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.1 CSCOc1ccc(nc1)F de88ffba7cf9851ecec71607a72fd7cd [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.1 CSCOc1ccc(nc1)I 89a292478202e53919068cdff48480a8 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.1 Cc1ccc(cc1)COCF be23a3cdf78a8f91f485a087d32e2751 [1,1,0,0,0,0|1,0,1]=4 1007 B11R1.1 Cc1ccc(cc1)NCCF 386681a63315a2a02458b9e317339172 [1,1,0,0,0,0|1,0,1]=4 1008 B11R1.1 Cc1ccc(cc1)NCCI 021b0820ca00ee1bd1c722072e28fcea [1,1,0,0,0,0|1,0,1]=4 1009 B11R1.1 Cc1ccc(cc1)NCCO c023022501f62f6373bdd984b07a8e61 [1,1,0,0,0,0|1,0,1]=4 1010 B11R1.1 Cc1ccc(cc1)NCCS 6ed2fe969f35f3c0b0884c2a5f799763 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.1 Cc1ccc(cc1)OCC#N 86188396c995adc062c1161e026ae446 [1,1,0,0,0,0|0,0,2]=4 1012 B11R1.1 Cc1ccc(cc1)OCC=O 162ce958ced72925305b1c018b7b9598 [1,1,0,0,0,0|0,0,2]=4 1013 B11R1.1 Cc1ccc(cc1)OCCF e658fde0065759000a395a993eb3f831 [1,1,0,0,0,0|0,0,1]=3 1014 B11R1.1 Cc1ccc(cc1)OCCS 11a5d5c742743cac8e072d93bc1a4fc6 [1,1,0,0,0,0|0,0,1]=3 1015 B11R1.1 Cc1ccc(cn1)OCCF a21a4600e8af39c88fa1dd482f6c3650 [1,1,0,0,0,0|1,0,1]=4 1016 B11R1.1 Cc1ccc(cn1)OCCS cf9c5b5f5919efb5749d90e100211d1a [1,1,0,0,0,0|1,0,1]=4 1017 B11R1.1 Cc1ccc(nc1)OCCF 07dcb840a80fa7cbdd901daf4d527f50 [1,1,0,0,0,0|1,0,1]=4 1018 B11R1.1 Cc1ccc(nc1)OCCS c0e97758fad975d9872b78bd47384ac8 [1,1,0,0,0,0|1,0,1]=4 1019 B11R1.1 FCCNc1ccc(cc1)Br 795a720a4c9b19afbc5301fa123947f2 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.1 FCCNc1ccc(cc1)Cl e3d2a59ab56b1cb94b6555756f53e4df [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.1 FCCNc1ccc(cc1)F 7c335ec10923f1e5e1c0a802d22815aa [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.1 FCCNc1ccc(cc1)I 7a3114f1b82f1ae9c3e9d91f867c2aec [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.1 FCCNc1ccc(cc1)S 4cf1191b5d4fa0438db5fb212abc0568 [1,1,0,0,0,0|1,1,0]=4 1024 B11R1.1 FCCOc1ccc(cc1)Br 44af21b9bd08ebef7a3593bbf1c00f13 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.1 FCCOc1ccc(cc1)Cl f8953730f3c70ba1c351ddf061f5adb9 [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.1 FCCOc1ccc(cc1)F b8491737d875b8a9ba1853dfb7c71826 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.1 FCCOc1ccc(cc1)I b3c3da697e2c7b319e1842d4b6e652a6 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.1 FCCOc1ccc(cc1)S c0287c49d3bee2c771e7d9f8b8b1a91d [1,1,0,0,0,0|0,1,0]=3 1029 B11R1.1 FCCOc1ccc(cn1)Cl b3e4a78af085b1d8a0cc04fa3d2b9697 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.1 FCCOc1ccc(cn1)F 09a0361ca931a8815d595adcfa70dfc5 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.1 FCCOc1ccc(cn1)I c881f50d40edf1b68b0c0f26e5461697 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.1 FCCOc1ccc(nc1)Br 56a5cf89dd80e496b9709f39abb581e1 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.1 FCCOc1ccc(nc1)Cl 2518d683071f95d362f0f1c64caaf5ff [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.1 FCCOc1ccc(nc1)F 21e0e21376995b11c2ee866f488aa641 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.1 FCCOc1ccc(nc1)I 0ec81edc553fa753848e33209a20be60 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.1 FCOCc1ccc(cc1)Br 5272f40abeb8f9788218e0855efe7f99 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.1 FCOCc1ccc(cc1)Cl a424b465d05ec98f468ea1690dfb41e3 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.1 FCOCc1ccc(cc1)F 40afdc034cb36d38932d0008a2d4420f [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.1 FCOCc1ccc(cc1)I 614cbd3d7d1898e18b49cf57a3be3c96 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.1 FCOCc1ccc(cc1)S caeca7060fe6aa9edb0562b9e232c2bd [1,1,0,0,0,0|1,1,0]=4 1041 B11R1.1 Fc1ccc(cc1)NCCS 96eb09cf1d4b57152e2f391fd4e4c79f [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.1 Fc1ccc(cc1)OCCS c98699e8299c427f19ef74ef43ecdb98 [1,1,0,0,0,0|1,0,0]=3 1043 B11R1.1 Fc1ccc(cn1)OCCS bc7f1b508fec42551a57a9fde5eb5934 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.1 Fc1ccc(nc1)OCCS 3e877b70e347acb690df074056e728c6 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.1 N#CCOc1ccc(cc1)Br 871254db56e2004e5847895d62a14d29 [1,1,0,0,0,0|1,0,1]=4 1046 B11R1.1 N#CCOc1ccc(cc1)Cl 8778ae1e60991761c1a89b37bdae4929 [1,1,0,0,0,0|1,0,1]=4 1047 B11R1.1 N#CCOc1ccc(cc1)F ecca40fe5c4bd91fe61102849dbbcff2 [1,1,0,0,0,0|1,0,1]=4 1048 B11R1.1 N#CCOc1ccc(cc1)I f0ce4f5c32a6a21ca0e603fc0719ce66 [1,1,0,0,0,0|1,0,1]=4 1049 B11R1.1 N#CCOc1ccc(cc1)S f723defc19cd9ff58e26aa13ad60ba6a [1,1,0,0,0,0|0,1,1]=4 1050 B11R1.1 O=CCOc1ccc(cc1)Br def7cf0118e06efe61ec327fa54d11e7 [1,1,0,0,0,0|1,0,1]=4 1051 B11R1.1 O=CCOc1ccc(cc1)Cl bcb6224d95a5b97cffcadb5c4c5a4052 [1,1,0,0,0,0|1,0,1]=4 1052 B11R1.1 O=CCOc1ccc(cc1)F a06e8c0a346f32fa4e5da7005cc6fb47 [1,1,0,0,0,0|1,0,1]=4 1053 B11R1.1 O=CCOc1ccc(cc1)I 09bd69e9ed964a5fd067081d62efe043 [1,1,0,0,0,0|1,0,1]=4 1054 B11R1.1 O=CCOc1ccc(cc1)S 51195d57e8dd52ea3f1d1dcd968cb246 [1,1,0,0,0,0|0,1,1]=4 1055 B11R1.1 O=c1ccc(c[nH]1)NCCF 13d733c4340b5fcf5d893368e9689af6 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.1 O=c1ccc(c[nH]1)NCCO 410d745dee12fa60b560903e314fdf23 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.1 O=c1ccc(c[nH]1)NCCS 4e8aa267317d950756513167f0b0c73d [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.1 OCCNc1ccc(cc1)Br 535465584ac9d4ff57889448ec1b0af0 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.1 OCCNc1ccc(cc1)Cl 4d55580a2576d97655667590feb9394c [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.1 OCCNc1ccc(cc1)F f0dccf24099a23c54c8c24ea89525ac0 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.1 OCCNc1ccc(cc1)I 9010f3f5111bb57e7ee5fcc7037cafde [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.1 OCCNc1ccc(cc1)S 4de960e6b8963c27bc320732a003972b [1,1,0,0,0,0|1,1,0]=4 1063 B11R1.1 SCCNc1ccc(cc1)Br 41e93a2a025b2d31a08348072d46995d [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.1 SCCNc1ccc(cc1)Cl ee69b35444ec478b79ac20b53c76c74b [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.1 SCCNc1ccc(cc1)I feb446bc7f74f6fc3358374bc85a5fa6 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.1 SCCNc1ccc(cc1)S 2b2c1e7e53c6fe298543f5113fe04de1 [1,1,0,0,0,0|1,1,0]=4 1067 B11R1.1 SCCOc1ccc(cc1)Br bec71d6fa1c3471b8eb02dbdf51052b8 [1,1,0,0,0,0|1,0,0]=3 1068 B11R1.1 SCCOc1ccc(cc1)Cl 4097eb53f6e8a186542d58da584632ba [1,1,0,0,0,0|1,0,0]=3 1069 B11R1.1 SCCOc1ccc(cc1)I d7cb4bc51a02120fb1493ad10574d07c [1,1,0,0,0,0|1,0,0]=3 1070 B11R1.1 SCCOc1ccc(cc1)S 82e09f61a6f4576bab72abe9784dd780 [1,1,0,0,0,0|0,1,0]=3 1071 B11R1.1 SCCOc1ccc(cn1)Cl cfe42552e9127c0fb0aa4c2a6f99c83c [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.1 SCCOc1ccc(cn1)I 20a50db09c759c9079c8425e41725441 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.1 SCCOc1ccc(nc1)Br 9d7fd52545e7208859a8d076129dbd84 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.1 SCCOc1ccc(nc1)Cl 4106f499ece62c4b04a8c7172df2ee74 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.1 SCCOc1ccc(nc1)I 7355139a016853b23c19cab6223d7297 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.1 Sc1ccc(cc1)NCCBr 2fd36e3b90e35bd113cc6aa6559ccbb3 [1,1,0,0,0,0|1,1,0]=4 1077 B11R1.1 Sc1ccc(cc1)NCCI 3102b13fbfd44fa9c9c245c461b01292 [1,1,0,0,0,0|1,1,0]=4 1078 B11R1.20 CC(C)Nc1ccc(=O)[nH]c1 63657213ff6b579908dedea051a64186 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.20 CC(C)Nc1ccc(cc1)Br e5f70783ec71726153c102e5801f7c8a [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.20 CC(C)Nc1ccc(cc1)Cl b33a847c825901d9dbcf3f8815c5869c [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.20 CC(C)Nc1ccc(cc1)F 689ddbde83a9a9429aa2388668fed19a [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.20 CC(C)Nc1ccc(cc1)I fa67ab606e8380aaae6be79fda5faf68 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.20 CC(C)Nc1ccc(cc1)S e681327c1f8eccf785cd674735bc98be [1,1,0,0,0,0|1,1,0]=4 1084 B11R1.20 CC(C)Oc1ccc(cc1)Br c830042d81f1762ab02a381b9eac79a4 [1,1,0,0,0,0|1,0,0]=3 1085 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7f20d83f4f9b33a7fd797ee07caaf887 [1,1,0,0,0,0|1,0,0]=3 1086 B11R1.20 CC(C)Oc1ccc(cc1)F 4b3257094d99fffc8c1b5f1ead656595 [1,1,0,0,0,0|1,0,0]=3 1087 B11R1.20 CC(C)Oc1ccc(cc1)I d09c2b32d485e0c585ea84ecec015274 [1,1,0,0,0,0|1,0,0]=3 1088 B11R1.20 CC(C)Oc1ccc(cc1)S bc2b7db7696d219aecddb9042131dcc3 [1,1,0,0,0,0|0,1,0]=3 1089 B11R1.20 CC(C)Oc1ccc(cn1)Cl 2d764f542cd850467dceb5ea7856809e [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.20 CC(C)Oc1ccc(cn1)F 8b718d6ec6cce88e81ab345ae3477032 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.20 CC(C)Oc1ccc(cn1)I 00aba9b6fb1d651d79b062e296bef87f [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.20 CC(C)Oc1ccc(nc1)Br 03387980ed704f1b91f33115fdf148c9 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.20 CC(C)Oc1ccc(nc1)Cl bf70b6eb15a088db8ddeb63733ed08d7 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.20 CC(C)Oc1ccc(nc1)F c1100a1e2d454cfe8c3cbbc5d6e5727d [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.20 CC(C)Oc1ccc(nc1)I 86c15c6da9d65de15ebd86f541f4105e [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.20 Cc1ccc(cc1)NC(C)C bd77af8bd7263855741bad7d9283a59e [1,1,0,0,0,0|1,0,1]=4 1097 B11R1.20 Cc1ccc(cc1)OC(C)C afaa4b057d8f12ac5846fcc0accc69e4 [1,1,0,0,0,0|0,0,1]=3 1098 B11R1.20 Cc1ccc(cn1)OC(C)C 587bf2eefeb78be461683015f0e1ab8b [1,1,0,0,0,0|1,0,1]=4 1099 B11R1.20 Cc1ccc(nc1)OC(C)C daaa0dc9632c23fcd00a8fbb104724aa [1,1,0,0,0,0|1,0,1]=4 1100 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [1,1,0,0,0,0|1,1,0]=4 1103 B11R1.81 CCNc1ccc(=O)[nH]c1Cl 685575478adea367e0212d1afdc72037 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.81 CCNc1ccc(cc1Br)Cl 085dbff7cd5dde03380c75f6745c7ce0 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.81 CCNc1ccc(cc1Br)I 860500fbc84cff272d45032014213455 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.81 CCNc1ccc(cc1C)C 1134f6230446a16426e92fcd717a932d [1,1,0,0,0,0|1,0,1]=4 1107 B11R1.81 CCNc1ccc(cc1C)Cl e14db3a5474338cb5fd2d0b50080d514 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.81 CCNc1ccc(cc1C)F 28d7464159c276c848561af0325cc196 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.81 CCNc1ccc(cc1C)I bbca995ca803744d79c0752749a0642a [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.81 CCNc1ccc(cc1Cl)C e23d77da07e2a8137a3d2e3224d20da6 [1,1,0,0,0,0|1,0,1]=4 1111 B11R1.81 CCNc1ccc(cc1Cl)Cl c8baee2ab2461fe8ae6a599dab41d562 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.81 CCNc1ccc(cc1Cl)F db2667778eef4501b2e2d70cebac085c [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.81 CCNc1ccc(cc1Cl)I f19124d518a31c42a6bb884d83d47f84 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.81 CCNc1ccc(cc1F)Cl 40ddbfdcb7adbf24c78c9c73670f05c3 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.81 CCNc1ccc(cc1F)F 080a1eec6a52bc84c40180bab0e6e16b [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.81 CCNc1ccc(cc1F)I 22587efee1e150e04170e0ea0548b2d9 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.81 CCNc1ccc(cc1F)S 44012596b5f1f4baa07d75814290262c [1,1,0,0,0,0|1,1,0]=4 1118 B11R1.81 CCNc1ccc(cc1I)Br bfb2b5b237b0baf5ced846b3df580eeb [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.81 CCNc1ccc(cc1I)C adfacb28aa530efc4f605eb5cebb6869 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.81 CCNc1ccc(cc1I)Cl 623658c09a6cd818fad0c2096f7736eb [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.81 CCNc1ccc(cc1I)F bc998bb48c83db660f95a562c53fe547 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.81 CCNc1ccc(cc1I)I a129e16022959f6a602b136393b73ccb [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.81 CCNc1ccc(cc1S)Cl d4ce89770666057ac0c40692a764986b [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.81 CCNc1ccc(cc1S)F ee9fe157f11d02d4b214092ccccd3a33 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.81 CCOc1ccc([nH]c1=O)Cl 43865b8e22bdd34a48efba5569233507 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.81 CCOc1ccc(cc1Br)Br b5f1f4f057b400fea178c8b80d63744b [1,1,0,0,0,0|1,0,0]=3 1127 B11R1.81 CCOc1ccc(cc1Br)C e7ccd7af3f74744da87bd7f5b9d22e71 [1,1,0,0,0,0|0,0,1]=3 1128 B11R1.81 CCOc1ccc(cc1Br)Cl 12ea3269f12872d201204042dac48d7b [1,1,0,0,0,0|1,0,0]=3 1129 B11R1.81 CCOc1ccc(cc1Br)F f5b07176b310ab145596ceeb03df6e83 [1,1,0,0,0,0|1,0,0]=3 1130 B11R1.81 CCOc1ccc(cc1Br)I 4e09711db94d7578f27c2e0049da0d53 [1,1,0,0,0,0|1,0,0]=3 1131 B11R1.81 CCOc1ccc(cc1C)Br 83070f2d180d2b3fc63a053a41c18e68 [1,1,0,0,0,0|1,0,0]=3 1132 B11R1.81 CCOc1ccc(cc1C)C 4338032903823c785796038cd9b5a0b7 [1,1,0,0,0,0|0,0,1]=3 1133 B11R1.81 CCOc1ccc(cc1C)Cl 4f4a17252dfaa86ab59145a256551f7c [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.81 CCOc1ccc(cc1C)F 9ae876fb4794c65d86eeaaafa5ba0f45 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.81 CCOc1ccc(cc1C)I b486eff82a8bfe9637a52eb2a3c758d0 [1,1,0,0,0,0|1,0,0]=3 1136 B11R1.81 CCOc1ccc(cc1C)S 56625e5877574807473dbe64d25a277c [1,1,0,0,0,0|0,1,0]=3 1137 B11R1.81 CCOc1ccc(cc1Cl)Br f1d3ed2549c10f2d04003e0267862af7 [1,1,0,0,0,0|1,0,0]=3 1138 B11R1.81 CCOc1ccc(cc1Cl)C 2977a84256335c386d4d42c0799a0842 [1,1,0,0,0,0|0,0,1]=3 1139 B11R1.81 CCOc1ccc(cc1Cl)Cl 78d9fdbc38357719d773a6f71ac064ef [1,1,0,0,0,0|1,0,0]=3 1140 B11R1.81 CCOc1ccc(cc1Cl)F a90318cdcae69939ef0e9178b7323ad3 [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.81 CCOc1ccc(cc1Cl)I c6da279cd85a359d2d7a699e4cb08141 [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.81 CCOc1ccc(cc1F)Br 361e6eeece0af854d674cea8e2cbe625 [1,1,0,0,0,0|1,0,0]=3 1143 B11R1.81 CCOc1ccc(cc1F)C 38277d17c3c8b92f0596de46426a38aa [1,1,0,0,0,0|0,0,1]=3 1144 B11R1.81 CCOc1ccc(cc1F)Cl 9be85ce0b5890e7306096d9392a79264 [1,1,0,0,0,0|1,0,0]=3 1145 B11R1.81 CCOc1ccc(cc1F)F b68e4a7082518eb67e2ae1d5fc228aa3 [1,1,0,0,0,0|1,0,0]=3 1146 B11R1.81 CCOc1ccc(cc1F)I c45d6891a41d440b3d030e0c4b2fb578 [1,1,0,0,0,0|1,0,0]=3 1147 B11R1.81 CCOc1ccc(cc1I)Br dabf77e2ea9aa344cee8b98370240bd4 [1,1,0,0,0,0|1,0,0]=3 1148 B11R1.81 CCOc1ccc(cc1I)C 72dc48a49c68837768e7d9f295b6eddb [1,1,0,0,0,0|0,0,1]=3 1149 B11R1.81 CCOc1ccc(cc1I)Cl 861b430b7fd16ac6ddf82ea581077374 [1,1,0,0,0,0|1,0,0]=3 1150 B11R1.81 CCOc1ccc(cc1I)F 4e4953a9825b486fe7916f58c413f53f [1,1,0,0,0,0|1,0,0]=3 1151 B11R1.81 CCOc1ccc(cc1I)I 7f5884104ba07b7faf22644d70785737 [1,1,0,0,0,0|1,0,0]=3 1152 B11R1.81 CCOc1ccc(nc1Br)Br e66ba8a954e485699b76f8bfe5bb1c23 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.81 CCOc1ccc(nc1Br)C 4f44e9f8885de8a5caead141fe0253a8 [1,1,0,0,0,0|1,0,1]=4 1154 B11R1.81 CCOc1ccc(nc1Br)Cl a1b13c9d47e806f23683827c6359ad23 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.81 CCOc1ccc(nc1Br)F 321cb7d539c6d454b674836483a4dc59 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.81 CCOc1ccc(nc1Br)I de06d2a5063dcaacd86ec5d65ab9a33f [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.81 CCOc1ccc(nc1C)Br 42a6c213997c04e9db70bfbbee167159 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.81 CCOc1ccc(nc1C)C 3827b993dd4abaadd026b657cf3475d8 [1,1,0,0,0,0|1,0,1]=4 1159 B11R1.81 CCOc1ccc(nc1C)Cl c5767e919ab56ba6e10112a6e17eec01 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.81 CCOc1ccc(nc1C)F ddbee9f3259a9f3b6ceb406d4a3c87d4 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.81 CCOc1ccc(nc1C)I b6093607b1b98459a5619c010a16552b [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.81 CCOc1ccc(nc1Cl)Br 93082f377f97da32f40857348210f14a [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.81 CCOc1ccc(nc1Cl)C d32c2c15aa23685773f3f71f48df74d3 [1,1,0,0,0,0|1,0,1]=4 1164 B11R1.81 CCOc1ccc(nc1Cl)Cl 950765fcfaa5ae0a60f282959c6e5617 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.81 CCOc1ccc(nc1Cl)I 3582e9ee1e7cf72ab7bf0b1c685a2bd2 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.81 CCOc1ccc(nc1F)Br fa3084aa0431295cb0d8a003c209aef4 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.81 CCOc1ccc(nc1F)C adba7e8c52267ed7ea9a9e2d1f7fc357 [1,1,0,0,0,0|1,0,1]=4 1168 B11R1.81 CCOc1ccc(nc1F)Cl a11ab96694243e7206c14dad6a34c821 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.81 CCOc1ccc(nc1F)F f7f03c91dd279e90b62849c951393c56 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.81 CCOc1ccc(nc1F)I aa4500cc65ede1a2eeeae83840e2d8b1 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.81 CCOc1ccc(nc1I)Br 0fd3a8115e26436075f4111d586dc46a [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.81 CCOc1ccc(nc1I)C 3848caf5952dca924c17ee9d5eeec6e3 [1,1,0,0,0,0|1,0,1]=4 1173 B11R1.81 CCOc1ccc(nc1I)Cl 8fa0904e4c8d04f97a5c5a5ea77916e1 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.81 CCOc1ccc(nc1I)F 61286d7f2edd3bcb5e3862c31bb30323 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.81 CCOc1ccc(nc1I)I da199c194a76ab2fcadad934d09e7ca6 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.81 CCOc1cnc(cc1Br)C 94a516811dccbd87b6b12ac88432a10b [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.81 CCOc1cnc(cc1Br)Cl 3fd99c6f4ac415765b91a8f451fffc68 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.81 CCOc1cnc(cc1Br)F 1a95a14d2ee7888e1c35be8efb18580c [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.81 CCOc1cnc(cc1C)Br 6e7ed207c5f53669915842151390e80c [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.81 CCOc1cnc(cc1C)C 9370eb3f139fc02f88e9e2e86986337a [1,1,0,0,0,0|1,0,1]=4 1181 B11R1.81 CCOc1cnc(cc1C)Cl c9b3dcd735baaef6760a97d519e07ea0 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.81 CCOc1cnc(cc1C)F b0aac62fefe8d35e5021f2a5207995ad [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.81 CCOc1cnc(cc1Cl)Br bd3da994b5953a755331e78ab01831a4 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.81 CCOc1cnc(cc1Cl)Cl e4dbc1d8dfd06d54b57cd64679a2d1e2 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.81 CCOc1cnc(cc1F)Br 685562a2814db1f932f9f3d8ecc9b74f [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.81 CCOc1cnc(cc1F)Cl fa230314105ebab0770feac0d2e89753 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.81 CCOc1cnc(cc1F)F 6b2109669e8caddcdb71d80745f7e576 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.81 CCOc1cnc(cc1I)Cl defdc18d2bab7ed72033a81cf6da7647 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.81 CCOc1cnc(cc1I)F 82fcd3fb4ad294a3d05731311e7fe89d [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.81 CCOc1coc(cc1=O)C dc53df87ccaa9fd9f8bf4cc975bd1b7f [1,1,0,0,0,0|1,0,1]=4 1191 B11R1.81 CCOc1ncc(cc1Br)Br d0c79be2f925d68008c502e279a9779d [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.81 CCOc1ncc(cc1Br)C f667c107e186e0e5e305fe90c9f97b3a [1,1,0,0,0,0|1,0,1]=4 1193 B11R1.81 CCOc1ncc(cc1Br)Cl d7a3ed3756c22c214bf9e2e41a76f1b7 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.81 CCOc1ncc(cc1Br)F dc5e71a2d88f49e80b19a8781c8d3a18 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.81 CCOc1ncc(cc1Br)I 253bbaeba8dea01e211f88162c0e128f [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.81 CCOc1ncc(cc1C)Br aadcc0cff853272178cafdafb44e7e00 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.81 CCOc1ncc(cc1C)Cl 29ae76bd8d7acfa90341b18d7f7331b6 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.81 CCOc1ncc(cc1C)F 40682aff5ca62ad5759208311fc41ee7 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.81 CCOc1ncc(cc1C)I b0bcfc8595734ae02a473f16e580201f [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.81 CCOc1ncc(cc1Cl)Cl 62e3bad9ce5eb69aff2b6e8814e32a4d [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.81 CCOc1ncc(cc1Cl)F 0faba10eca7f4bb7521542f136d3cdfc [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.81 CCOc1ncc(cc1Cl)I 441bc257ff115708abddf273729b3a11 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.81 CCOc1ncc(cc1F)F 911d7ff2e73c91f347e59541334360b7 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.81 CCOc1ncc(cc1I)Br 63282c34860a1233db4f634cc4f99602 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.81 CCOc1ncc(cc1I)C a24a2bad4cfcc807552043440d2f300e [1,1,0,0,0,0|1,0,1]=4 1206 B11R1.81 CCOc1ncc(cc1I)Cl 5f8f304b4eff0a597aa2612b80da8ec4 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.81 CCOc1ncc(cc1I)F 92a4addbc5c8a31875c89d04f1c32ac4 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.81 CCOc1ncc(cc1I)I a6448c72d24c5834af44e4b022c7fb8d [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.81 CCOn1ccc(cc1=S)C 77c15588668d4a2142fcd322d7478eba [1,1,0,0,0,0|1,0,1]=4 1210 B11R1.81 Cc1cc(ccc1OCF)Cl 59df439946173d4fb2ed1d3bd9d604e3 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.81 Cc1cc(ccc1OCF)F eedf2247b184e61493337515f8769eb6 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.81 Cc1cc(ccc1OCF)I ec183344e7001951cce02bd61f3e6760 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.81 Cc1cc(ccc1OCF)S 18817d7e27f05029d85e9067b596a131 [1,1,0,0,0,0|1,1,0]=4 1214 B11R1.81 Cc1ccc(c(c1)C)OCF 5329ed85d6d70b2e0cb66c67e1001a94 [1,1,0,0,0,0|1,0,1]=4 1215 B11R1.81 Cc1ccc(c(c1)Cl)OCF feedc2f0a0e64e00bb5c8de0f0a53c3e [1,1,0,0,0,0|1,0,1]=4 1216 B11R1.81 Cc1ccc(c(c1)F)OCF 0e0e7010c5409eb503b2d1e625d437d0 [1,1,0,0,0,0|1,0,1]=4 1217 B11R1.81 Cc1ccc(c(c1)I)OCF d772edcaffdb43a6a81358d2f818d058 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.81 FCOc1ccc(cc1Br)Cl fa9e808091d7f0371fa302c5283fafaa [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.81 FCOc1ccc(cc1Br)F d1911d4e835f54d2b69a3a293e76a903 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.81 FCOc1ccc(cc1Br)I b9e665b50a6c73129af0c0bc3f96d94b [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.81 FCOc1ccc(cc1Cl)Cl 342a5d75551b7681707740426136c157 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.81 FCOc1ccc(cc1Cl)F 25d56ff53f9ec7e4abdcbf1786b4ae35 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.81 FCOc1ccc(cc1Cl)I 50f8a70ec94beec754a15cf76e887ebf [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.81 FCOc1ccc(cc1F)Br 8a8f0dbe05551ee6ed9f037c68ef857d [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.81 FCOc1ccc(cc1F)Cl 1eff7b16307a0ac008fda98460ea7b20 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.81 FCOc1ccc(cc1F)F b1610b6da63f9e3a92733b43be7f3d21 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.81 FCOc1ccc(cc1F)I 69649576bd1fa985b0e7e8203664b8de [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.81 FCOc1ccc(cc1I)Br 16c50f6250b22becfce95b79635cd89c [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.81 FCOc1ccc(cc1I)Cl ab2a1c8b5d2f9016219d2d8bfd18fcdc [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.81 FCOc1ccc(cc1I)F 982744b7c1d7ad1afc0de7eff5ee0a83 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.81 FCOc1ccc(cc1I)I e1e888b96f7faf1d7b57d2b792286f8b [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.192 CCNc1ccc(=O)n(c1)C de004df638bb55ccc29fab83ffe985eb [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.192 CCNc1ccc(c(c1)Br)Br 72456032efc0d32e66037df98968c223 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.192 CCNc1ccc(c(c1)Br)C 46f020b9f443967791e4d4e3b6811b10 [1,1,0,0,0,0|1,0,1]=4 1235 B11R1.192 CCNc1ccc(c(c1)Br)Cl 7c2ebe6ea2522dea6052b9a68d52fadd [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.192 CCNc1ccc(c(c1)Br)F 4df2a98191cfea48570fbeb31eb28c02 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.192 CCNc1ccc(c(c1)Br)I 836683173dd3e4e941d215199be46fd9 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.192 CCNc1ccc(c(c1)C)Br 34e367ff2658641706b751fd2a13c42d [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.192 CCNc1ccc(c(c1)C)C 3fb568587caaa0b0267d87bef3b47183 [1,1,0,0,0,0|1,0,1]=4 1240 B11R1.192 CCNc1ccc(c(c1)C)Cl b8bb5625974ad97d2e15d1b721cd8f17 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.192 CCNc1ccc(c(c1)C)F 16178fd526caac7c2f9a350ba5dec854 [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.192 CCNc1ccc(c(c1)C)I ac0a148d35afaa49328f22b64688ab4e [1,1,0,0,0,0|2,0,0]=4 1243 B11R1.192 CCNc1ccc(c(c1)Cl)Br fd862837c747dbf25081d1709c867080 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.192 CCNc1ccc(c(c1)Cl)C ee6e4be110ccf7cc057e19f377296bf2 [1,1,0,0,0,0|1,0,1]=4 1245 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 4033b0b1d4002562620db2d31900c572 [1,1,0,0,0,0|2,0,0]=4 1246 B11R1.192 CCNc1ccc(c(c1)Cl)F 0c58472109f2d99da6d9d2537808ba72 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.192 CCNc1ccc(c(c1)Cl)I 0b4edea5e7f89b4adf910801e231afa9 [1,1,0,0,0,0|2,0,0]=4 1248 B11R1.192 CCNc1ccc(c(c1)F)C 1df6266247927110b7e3033259fa4529 [1,1,0,0,0,0|1,0,1]=4 1249 B11R1.192 CCNc1ccc(c(c1)F)Cl a7465f4dea341d5020f1c41c66372d0c [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.192 CCNc1ccc(c(c1)F)F 9ad1e2488e63386f5bfd81ab07176300 [1,1,0,0,0,0|2,0,0]=4 1251 B11R1.192 CCNc1ccc(c(c1)F)I ae3d1fbdfc5cd517c740e52dbdd7f49b [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.192 CCNc1ccc(c(c1)I)Br 8490d6e8347c6a99bb73a96e0e8dafcd [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.192 CCNc1ccc(c(c1)I)C 22d40788d833c523420b6ab571e7e703 [1,1,0,0,0,0|1,0,1]=4 1254 B11R1.192 CCNc1ccc(c(c1)I)Cl e62bdce281a4f849aebfeea136e2a74a [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.192 CCNc1ccc(c(c1)I)F bcf3a8b7aea3e2ab38c0f714bcf84dc8 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.192 CCOc1cc(c(cn1)Br)Br bade970be0a32743eb650a3e02676691 [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.192 CCOc1cc(c(cn1)Br)C f9fd171157da32130486e8f43e90c870 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.192 CCOc1cc(c(cn1)Br)Cl 4dad7268ae798241f2944d14bf22faef [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.192 CCOc1cc(c(cn1)Br)F 2392b72850836c8c0a8e5596c8109ea5 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.192 CCOc1cc(c(cn1)C)Br 53c69b1e54f933827762e8639152a537 [1,1,0,0,0,0|1,0,1]=4 1261 B11R1.192 CCOc1cc(c(cn1)C)C f55cd6d8444413ac5c699fa79eca287b [1,1,0,0,0,0|1,0,1]=4 1262 B11R1.192 CCOc1cc(c(cn1)C)I 8bfc954e96fa3266f3fc8453142903bb [1,1,0,0,0,0|1,0,1]=4 1263 B11R1.192 CCOc1cc(c(cn1)Cl)Br ff8c5d49fe3bc3be673796e0e3da7718 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.192 CCOc1cc(c(cn1)Cl)C 6a121708675081d19a4f1d7d03a37df5 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.192 CCOc1cc(c(cn1)F)Br 409904b67d23dcd92fb3f63a265b8b10 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.192 CCOc1cc(c(cn1)F)C 81216d2b70748b0a28e6311173124e0f [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.192 CCOc1cc(c(cn1)F)I 371d5985f427928c2f708c5aa522e05e [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.192 CCOc1cc(c(cn1)I)C 62df9a9ebb5b2dacadb0502b5b76af77 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.192 CCOc1cc(c(cn1)I)Cl ba2f8ab120cf963b776ffc8f5bd30c79 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.192 CCOc1ccc(=O)n(c1)C a59f758da331db52f57c6e627d57a90d [1,1,0,0,0,0|1,0,0]=3 1271 B11R1.192 CCOc1ccc(=O)n(n1)C 90651f764e41dd1baa6f869e35d57a8a [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.192 CCOc1ccc(c(c1)Br)C c3fa0783af9069842b29e34011d9eedf [1,1,0,0,0,0|0,0,1]=3 1273 B11R1.192 CCOc1ccc(c(c1)Br)Cl 4f0ed120a1ee615029f12cbea4548666 [1,1,0,0,0,0|1,0,0]=3 1274 B11R1.192 CCOc1ccc(c(c1)Br)F 8317d8ea93a771cf8540cce81252fc34 [1,1,0,0,0,0|1,0,0]=3 1275 B11R1.192 CCOc1ccc(c(c1)Br)I 3638452f604979a63bdbbb3f47c7bce6 [1,1,0,0,0,0|1,0,0]=3 1276 B11R1.192 CCOc1ccc(c(c1)C)Br 2f8760d774c221ba0b75202a149df4a7 [1,1,0,0,0,0|1,0,0]=3 1277 B11R1.192 CCOc1ccc(c(c1)C)C 7c13671d5cf41e9521a3f6c1c086f138 [1,1,0,0,0,0|0,0,1]=3 1278 B11R1.192 CCOc1ccc(c(c1)C)Cl 7346f6124d85dbd041e5b5350d182eea [1,1,0,0,0,0|1,0,0]=3 1279 B11R1.192 CCOc1ccc(c(c1)C)F 6cd22ed088f5f11a14ea789326e0325e [1,1,0,0,0,0|1,0,0]=3 1280 B11R1.192 CCOc1ccc(c(c1)C)I a03a60fe749aeffceb2c403c998cb192 [1,1,0,0,0,0|1,0,0]=3 1281 B11R1.192 CCOc1ccc(c(c1)Cl)Br c809194834464760f77edc97f5de3566 [1,1,0,0,0,0|1,0,0]=3 1282 B11R1.192 CCOc1ccc(c(c1)Cl)C b9c6c330e241f9f510a1f16392209827 [1,1,0,0,0,0|0,0,1]=3 1283 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 2798272357dad9b212e6d8b7d4379471 [1,1,0,0,0,0|1,0,0]=3 1284 B11R1.192 CCOc1ccc(c(c1)Cl)F 13b1e52752cbecc6dcaae6e7ab50e34b [1,1,0,0,0,0|1,0,0]=3 1285 B11R1.192 CCOc1ccc(c(c1)Cl)I fe8fc6e558656d33644e2803f8575fc7 [1,1,0,0,0,0|1,0,0]=3 1286 B11R1.192 CCOc1ccc(c(c1)F)Br 018c0efa52a1229f5067ca1a49239d76 [1,1,0,0,0,0|1,0,0]=3 1287 B11R1.192 CCOc1ccc(c(c1)F)C 129ed8ddceee4b9535caa3063c04873c [1,1,0,0,0,0|0,0,1]=3 1288 B11R1.192 CCOc1ccc(c(c1)F)Cl 8d00421ccb733d77332174a0dd4ef20b [1,1,0,0,0,0|1,0,0]=3 1289 B11R1.192 CCOc1ccc(c(c1)F)F 61c3c27deb4a70da8e4ccbb37f501a6a [1,1,0,0,0,0|1,0,0]=3 1290 B11R1.192 CCOc1ccc(c(c1)F)I 3a13a2aea8562ef037eb2187d189e311 [1,1,0,0,0,0|1,0,0]=3 1291 B11R1.192 CCOc1ccc(c(c1)I)Br 47389b67a67965e45a09650518635b0a [1,1,0,0,0,0|1,0,0]=3 1292 B11R1.192 CCOc1ccc(c(c1)I)C 5a5d331dbfa5df8a5cc3e002f1549f7c [1,1,0,0,0,0|0,0,1]=3 1293 B11R1.192 CCOc1ccc(c(c1)I)Cl f89058fe7b979c7def89cf4fa173aa78 [1,1,0,0,0,0|1,0,0]=3 1294 B11R1.192 CCOc1ccc(c(c1)I)F 761d3a707ffa85c5b5b8f5c4680e6ec2 [1,1,0,0,0,0|1,0,0]=3 1295 B11R1.192 CCOc1ccc(c(n1)Br)C ee46fdb22ca05f77bda129b98d8aa87c [1,1,0,0,0,0|1,0,1]=4 1296 B11R1.192 CCOc1ccc(c(n1)Br)Cl 56dfb559674aa16c41592f5b4240ebe6 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.192 CCOc1ccc(c(n1)Br)F 3017cbc8a21756e3a0bf80294bf1786c [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.192 CCOc1ccc(c(n1)C)Cl 6fb0bd24c6e59d4ad535d2077f51d9b5 [1,1,0,0,0,0|2,0,0]=4 1299 B11R1.192 CCOc1ccc(c(n1)Cl)Cl 1896c6cd209c94e39cb77e36db62d0bf [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.192 CCOc1ccc(c(n1)F)Br c240db6f5341ac99b9d67cf3ec8b826d [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.192 CCOc1ccc(c(n1)F)I 95d0b763c194297e4186419c2451c52e [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.192 CCOc1ccn(c(=O)c1)C 7d4c160ec0295488e56c1f9e07a7b39b [1,1,0,0,0,0|1,0,1]=4 1303 B11R1.192 CCOc1cnc(c(c1)Br)C bdeeb53266cb9067d7388c05b75eb8c8 [1,1,0,0,0,0|1,0,1]=4 1304 B11R1.192 CCOc1cnc(c(c1)Br)Cl 579b7674103d793af25d5df7d4d72443 [1,1,0,0,0,0|2,0,0]=4 1305 B11R1.192 CCOc1cnc(c(c1)Br)F 0914685c033377b28c1fe33077c5508f [1,1,0,0,0,0|2,0,0]=4 1306 B11R1.192 CCOc1cnc(c(c1)C)Br 6d95ae041f617c3d2b5bce7afc42ec89 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.192 CCOc1cnc(c(c1)C)C 181308c61f575200101837b135b78ce6 [1,1,0,0,0,0|1,0,1]=4 1308 B11R1.192 CCOc1cnc(c(c1)C)Cl f2b3242e41ec28e17032f70f3defa8b3 [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.192 CCOc1cnc(c(c1)C)F 42a67a64cbaea47d844aa03c0d5e4d97 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.192 CCOc1cnc(c(c1)Cl)Br 6231190a99e51da69883f73ec81d9c2e [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.192 CCOc1cnc(c(c1)Cl)C 05c271a3eb707a005b0fff228b8a3604 [1,1,0,0,0,0|1,0,1]=4 1312 B11R1.192 CCOc1cnc(c(c1)Cl)Cl 3008492de4fd7e3803a338f92ea167e5 [1,1,0,0,0,0|2,0,0]=4 1313 B11R1.192 CCOc1cnc(c(c1)Cl)F 3ac13204310a8bc088c65918283844aa [1,1,0,0,0,0|2,0,0]=4 1314 B11R1.192 CCOc1cnc(c(c1)F)Br 49a18f8e251e8f0b119c2515b70b370e [1,1,0,0,0,0|2,0,0]=4 1315 B11R1.192 CCOc1cnc(c(c1)F)Cl fbb48f69120d08c2cdbdbf56337d4172 [1,1,0,0,0,0|2,0,0]=4 1316 B11R1.192 CCOc1cnc(c(c1)F)F ee96c5f0db926f24d0accc0f469746ca [1,1,0,0,0,0|2,0,0]=4 1317 B11R1.192 CCOc1cnc(c(c1)I)Br 807d6d97b8ca20515d8237c6b6082165 [1,1,0,0,0,0|2,0,0]=4 1318 B11R1.192 Cc1cc(ccc1Br)OCF 42d348dc28c750e8392a3f3c6346fe4a [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.192 Cc1cc(ccc1Cl)OCF 7ad2292d4f475137ba2729be0a68d16b [1,1,0,0,0,0|2,0,0]=4 1320 B11R1.192 Cc1cc(ccc1F)OCF 767ee4e3654f5f9073e70307c4b29cb2 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.192 Cc1cc(ccc1I)OCF 5b9bf26be79690fc521cf935b98eb974 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.192 Cc1ccc(cc1Br)OCF c5d1d06e767ad00e4abf57bd0e190090 [1,1,0,0,0,0|1,0,1]=4 1323 B11R1.192 Cc1ccc(cc1C)OCF ee1f69fdab5d44bf2b0982521e0bf5a5 [1,1,0,0,0,0|1,0,1]=4 1324 B11R1.192 Cc1ccc(cc1Cl)OCF f9e4c182b29f2c6bc7b0c123ab3402de [1,1,0,0,0,0|1,0,1]=4 1325 B11R1.192 Cc1ccc(cc1F)OCF 3c15af622ffb6507f2d5c144b91e4053 [1,1,0,0,0,0|1,0,1]=4 1326 B11R1.192 Cc1ccc(cc1I)OCF b4951cea89d09c03399ed8c3ba816946 [1,1,0,0,0,0|1,0,1]=4 1327 B11R1.192 Cn1cc(ccc1=O)OCF cfd574f133fe5bb70e3f98b676f9e480 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.192 FCOc1ccc(c(c1)Br)Br 0d088565d8cedfe01b2562d33766b319 [1,1,0,0,0,0|2,0,0]=4 1329 B11R1.192 FCOc1ccc(c(c1)Br)Cl e093d0a27048d0e8f3bdc4fb0fd8cf69 [1,1,0,0,0,0|2,0,0]=4 1330 B11R1.192 FCOc1ccc(c(c1)Br)F 8e8d906d51f1f08c48f8fa5c3a88a9bf [1,1,0,0,0,0|2,0,0]=4 1331 B11R1.192 FCOc1ccc(c(c1)Br)I f81d5f4059e0aef3f4bb3acad049e7b2 [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.192 FCOc1ccc(c(c1)Cl)Br 11fa98e92fc3b0afc3bc1f075f16c806 [1,1,0,0,0,0|2,0,0]=4 1333 B11R1.192 FCOc1ccc(c(c1)Cl)Cl e18c6f057ea999c31ba04f3f26b9ad12 [1,1,0,0,0,0|2,0,0]=4 1334 B11R1.192 FCOc1ccc(c(c1)Cl)F 2d11504198f1edfd2b4a4c10da7e872b [1,1,0,0,0,0|2,0,0]=4 1335 B11R1.192 FCOc1ccc(c(c1)Cl)I 06a5c57eb992e79d4115e12356306f77 [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.192 FCOc1ccc(c(c1)F)Br 557bdd2051d5a50c687f79c03910e2e3 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.192 FCOc1ccc(c(c1)F)Cl 1eaedc5314a211b3ab3bfb339b05d8d4 [1,1,0,0,0,0|2,0,0]=4 1338 B11R1.192 FCOc1ccc(c(c1)F)F 14f11b9990ddf987fac6e777c89182f4 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.192 FCOc1ccc(c(c1)F)I 8543be26079c3f0f9399d5a89a1f8cbd [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.192 FCOc1ccc(c(c1)I)Br 1a99517c56a7dade9ddd7d53a856206e [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.192 FCOc1ccc(c(c1)I)Cl 94a7002f329c2655a54f1a8c864e512e [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.192 FCOc1ccc(c(c1)I)F 5597a9bf6b5ebb3c8e4b2b7c0601d2ed [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.43 CC(C)Oc1csc(c1)C=O 12b452ebc1206aac256c8c9ca9aeb624 [0,1,0,0,1,0|1,0,0]=3 1344 B11R1.44 CCN(C)c1c[nH]c(c1)C=O 35f01282d7f3c7785e15097af0907304 [0,1,0,0,1,0|2,0,0]=4 1345 B11R1.44 CCN(C)c1cc(c[nH]1)C=O c9a68f99a21335b3e47d3e9ca18c7ee2 [0,1,0,0,1,0|2,0,0]=4 1346 B11R1.44 CCN(C)c1cc(cs1)C=O f69289a70ebf62f1b9ce2ec8d3d11eb4 [0,1,0,0,1,0|2,0,0]=4 1347 B11R1.44 CCN(C)c1ccc([nH]1)C=O 08ee71974c4bcd94b2aa08497c8a037e [0,1,0,0,1,0|2,0,0]=4 1348 B11R1.44 CCN(C)c1ccc(o1)C=O aace4d2c96158323a7286e080bdf28c1 [0,1,0,0,1,0|2,0,0]=4 1349 B11R1.44 CCN(C)c1ccc(s1)C=O 4932cda769bfe4c238b9b527de2ed269 [0,1,0,0,1,0|2,0,0]=4 1350 B11R1.44 CCN(C)c1coc(c1)C=O bb8c06110b80e77616b926aa6042c669 [0,1,0,0,1,0|2,0,0]=4 1351 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,1,0,0,1,0|2,0,0]=4 1352 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,1,0,0,1,0|2,0,0]=4 1353 B11R1.124 CCNc1ccc(s1)C(=O)C 8cbc02b1d2978f62871a51e42cdadd63 [0,1,0,0,1,0|2,0,0]=4 1354 B11R1.124 CCNc1ccc(s1)C(=O)N 3a191d74a1e9593386c2ee7170259940 [0,1,0,0,1,0|2,0,0]=4 1355 B11R1.124 CCNc1csc(c1)C(=O)O 02903236ea637b7925550221dd745eb6 [0,1,0,0,1,0|2,0,0]=4 1356 B11R1.124 CCOc1cc(n[nH]1)C(=O)N de394328b0ce3ab180f63bd8bcd9c095 [0,1,0,0,1,0|2,0,0]=4 1357 B11R1.124 CCOc1cc(on1)C(=O)N 2394e4ba6c0eca44727f9a90568ba132 [0,1,0,0,1,0|2,0,0]=4 1358 B11R1.124 CCOc1cc(on1)C(=O)O 8f61c5d148e0409aee74310c0729e9e0 [0,1,0,0,1,0|2,0,0]=4 1359 B11R1.124 CCOc1csc(c1)C(=O)O c38a195fe4cc00447bb8290004c881a8 [0,1,0,0,1,0|1,0,0]=3 1360 B11R1.124 CCOc1nc(c[nH]1)C(=O)O 79a7724073222cd0aa3a91e55fa82f5e [0,1,0,0,1,0|2,0,0]=4 1361 B11R1.124 CCOc1ncc(o1)C(=O)O 3b695c78673ca00bf7de5dcf5207985c [0,1,0,0,1,0|2,0,0]=4 1362 B11R1.124 O=C(O)c1cc(cs1)OCF 66c1610ad851c25db8d7e73392562ff8 [0,1,0,0,1,0|2,0,0]=4 1363 B11R1.127 CCOc1cc(no1)NC=O 5993553b9cb11c363e629cce6ab1fb7e [0,1,0,0,1,0|2,0,0]=4 1364 B11R1.214 C#CCOc1csc(c1)C=O 4f365b178d6a4f801353e150bb80c117 [0,1,0,0,1,0|1,0,1]=4 1365 B11R1.214 C=CCOc1csc(c1)C=O f0c76ce0d2ed10d41ed1b9eb3275374b [0,1,0,0,1,0|1,0,1]=4 1366 B11R1.214 CCCNc1c[nH]c(c1)C=O fae6b86f824d14038d270f9ab59922dd [0,1,0,0,1,0|2,0,0]=4 1367 B11R1.214 CCCNc1cc(c[nH]1)C=O 0014671a4b31b027d2d9aa021fa1006c [0,1,0,0,1,0|2,0,0]=4 1368 B11R1.214 CCCNc1cc(cs1)C=O 0d5b52c1c2929ba7c6dfd3af056089a7 [0,1,0,0,1,0|2,0,0]=4 1369 B11R1.214 CCCNc1ccc([nH]1)C=O f86bd49b523482f1839729ea9754c730 [0,1,0,0,1,0|2,0,0]=4 1370 B11R1.214 CCCNc1ccc(o1)C=O 157921eba9f91c94ea1ecb526a3986f3 [0,1,0,0,1,0|2,0,0]=4 1371 B11R1.214 CCCNc1ccc(s1)C=O 0a54c27e060d60b7b0bc01c439fd624e [0,1,0,0,1,0|2,0,0]=4 1372 B11R1.214 CCCNc1coc(c1)C=O 34a7c2dd2e34d82c1da60493237f7854 [0,1,0,0,1,0|2,0,0]=4 1373 B11R1.214 CCCNc1csc(c1)C=O 6c73385e3b5133c3dd902e5fe693482f [0,1,0,0,1,0|2,0,0]=4 1374 B11R1.214 CCCOc1csc(c1)C=O 0d9482a1ed45306b1627ad00652eb735 [0,1,0,0,1,0|1,0,0]=3 1375 B11R1.214 CCOCc1ccc([nH]1)C=O 93952b89e03521f8dd52186c4f935f34 [0,1,0,0,1,0|1,0,0]=3 1376 B11R1.214 CCOCc1ccc(o1)C=O d906276a7b7d10291d3f2263a48e8a07 [0,1,0,0,1,0|1,0,0]=3 1377 B11R1.214 CCOCc1ccc(s1)C=O a47111e86536a2eebfb3508aa59512ee [0,1,0,0,1,0|1,0,0]=3 1378 B11R1.214 CCOCc1coc(c1)C=O f97b5ca6d595ad1cd5b34c7c07313f5a [0,1,0,0,1,0|1,0,0]=3 1379 B11R1.214 COCOc1csc(c1)C=O 5275de3cee073a1a0e279f23a1172858 [0,1,0,0,1,0|1,0,0]=3 1380 B11R1.214 CSCOc1csc(c1)C=O 7b8867051cbecd11f23930e2d96ecfa1 [0,1,0,0,1,0|1,0,0]=3 1381 B11R1.214 N#CCOc1csc(c1)C=O 50e386453128199da16b0f91d7b9f928 [0,1,0,0,1,0|1,0,1]=4 1382 B11R1.214 O=CCOc1csc(c1)C=O 224b41be5825a95aaf54072b366fcbbd [0,1,0,0,1,0|1,0,1]=4 1383 B11R1.214 O=Cc1c[nH]c(c1)NCCBr 9b61f06c56853ed58729f820bbff42d3 [0,1,0,0,1,0|2,0,0]=4 1384 B11R1.214 O=Cc1c[nH]c(c1)NCCI b843a00cba80ace7d6016ba9162d202c [0,1,0,0,1,0|2,0,0]=4 1385 B11R1.214 O=Cc1c[nH]c(c1)NCCO 4f16a0f85f85f6042b97d3d589973104 [0,1,0,0,1,0|2,0,0]=4 1386 B11R1.214 O=Cc1c[nH]c(c1)NCCS 29a7c189318a02ced4f53e4fe22322c8 [0,1,0,0,1,0|2,0,0]=4 1387 B11R1.214 O=Cc1cc(c[nH]1)NCCBr 612a0018af72f81840f71f4481d3fb0b [0,1,0,0,1,0|2,0,0]=4 1388 B11R1.214 O=Cc1cc(c[nH]1)NCCI 9c4f0206012699460dfc0994aae39f1a [0,1,0,0,1,0|2,0,0]=4 1389 B11R1.214 O=Cc1cc(c[nH]1)NCCO 9a7a4f6f1b88a4c8bf52738e41a88c6f [0,1,0,0,1,0|2,0,0]=4 1390 B11R1.214 O=Cc1cc(c[nH]1)NCCS 12a66aeb45c2dc18806bbce21d51268d [0,1,0,0,1,0|2,0,0]=4 1391 B11R1.214 O=Cc1cc(co1)COCF 1e458e8187c491ca1193da682f090997 [0,1,0,0,1,0|2,0,0]=4 1392 B11R1.214 O=Cc1cc(co1)NCCBr 57230088803889acb62b55ae5c2ee15d [0,1,0,0,1,0|2,0,0]=4 1393 B11R1.214 O=Cc1cc(co1)NCCF a8e0bdbe414fbab097162546423ca077 [0,1,0,0,1,0|2,0,0]=4 1394 B11R1.214 O=Cc1cc(co1)NCCI 1876c496795f20691ba0f3fb779aab65 [0,1,0,0,1,0|2,0,0]=4 1395 B11R1.214 O=Cc1cc(co1)NCCO 14a055f7dc0d14daec187def2d436de8 [0,1,0,0,1,0|2,0,0]=4 1396 B11R1.214 O=Cc1cc(co1)NCCS 8ce0347c95a09136bf13dfc0745aaaa9 [0,1,0,0,1,0|2,0,0]=4 1397 B11R1.214 O=Cc1cc(cs1)NCCBr 27299f2f62b850ecebfff6d7dccebade [0,1,0,0,1,0|2,0,0]=4 1398 B11R1.214 O=Cc1cc(cs1)NCCF 009ffa5aefdbcf679f3a18e164c3c834 [0,1,0,0,1,0|2,0,0]=4 1399 B11R1.214 O=Cc1cc(cs1)NCCI 248965758aceb6b625197f3800443fcf [0,1,0,0,1,0|2,0,0]=4 1400 B11R1.214 O=Cc1cc(cs1)NCCO f6c6fa1b0a296d33bed36324de0fcf90 [0,1,0,0,1,0|2,0,0]=4 1401 B11R1.214 O=Cc1cc(cs1)NCCS 531894357b0818796b5c2faacfc8ace2 [0,1,0,0,1,0|2,0,0]=4 1402 B11R1.214 O=Cc1cc(cs1)OCCF 763bb9e532f2ded20c7258c2c44c13de [0,1,0,0,1,0|1,0,0]=3 1403 B11R1.214 O=Cc1cc(cs1)OCCS 4ff8c0c3497e16aa8fab446f9b4d05d4 [0,1,0,0,1,0|1,0,0]=3 1404 B11R1.214 O=Cc1ccc([nH]1)COCF c3b3f2241e58d2a95a17fea82b44d735 [0,1,0,0,1,0|2,0,0]=4 1405 B11R1.214 O=Cc1ccc([nH]1)NCCBr 04ea5965fc1f098ad774ddb8f1919ec5 [0,1,0,0,1,0|2,0,0]=4 1406 B11R1.214 O=Cc1ccc([nH]1)NCCF 84e459f89b18f14d6c8f209d7812b0d7 [0,1,0,0,1,0|2,0,0]=4 1407 B11R1.214 O=Cc1ccc([nH]1)NCCI a55e6e3342758bfa67d7b63e79b9166a [0,1,0,0,1,0|2,0,0]=4 1408 B11R1.214 O=Cc1ccc([nH]1)NCCO 732144ed33736f141d65d6a278172752 [0,1,0,0,1,0|2,0,0]=4 1409 B11R1.214 O=Cc1ccc([nH]1)NCCS f924612b4858731dd692823d0e54e30d [0,1,0,0,1,0|2,0,0]=4 1410 B11R1.214 O=Cc1ccc(o1)COCF 34ad13943a6e704d5bc3e4ce9de62592 [0,1,0,0,1,0|2,0,0]=4 1411 B11R1.214 O=Cc1ccc(o1)NCCBr 9aba272d47ed7334b03aa2faeb250db1 [0,1,0,0,1,0|2,0,0]=4 1412 B11R1.214 O=Cc1ccc(o1)NCCF 524de5cec3a9015844ff6e4bb5d39234 [0,1,0,0,1,0|2,0,0]=4 1413 B11R1.214 O=Cc1ccc(o1)NCCI d7c11ece3ca26ad73d6823a6f92e48a7 [0,1,0,0,1,0|2,0,0]=4 1414 B11R1.214 O=Cc1ccc(o1)NCCO 8d52d497999ce3e55f85e3abca87731a [0,1,0,0,1,0|2,0,0]=4 1415 B11R1.214 O=Cc1ccc(o1)NCCS 86b674ceae0743758de1c8e4c1f99cad [0,1,0,0,1,0|2,0,0]=4 1416 B11R1.214 O=Cc1ccc(s1)COCF d45c828b069333aba90a8638dd4a7673 [0,1,0,0,1,0|2,0,0]=4 1417 B11R1.214 O=Cc1ccc(s1)NCCBr 81ea91dccfa7a3ab3f2c976b19bcee7b [0,1,0,0,1,0|2,0,0]=4 1418 B11R1.214 O=Cc1ccc(s1)NCCF 52adace94e710a8e01c882845a1505de [0,1,0,0,1,0|2,0,0]=4 1419 B11R1.214 O=Cc1ccc(s1)NCCI 82d8f00514a4dca28c35d345d535f932 [0,1,0,0,1,0|2,0,0]=4 1420 B11R1.214 O=Cc1ccc(s1)NCCO e00cf74d786fbb7fa75be4998da59bc7 [0,1,0,0,1,0|2,0,0]=4 1421 B11R1.214 O=Cc1ccc(s1)NCCS 47e40faa4672e13eac5653b6f6df5c51 [0,1,0,0,1,0|2,0,0]=4 1422 B11R1.214 O=Cc1csc(c1)NCCBr 97b338d34174b329a482f8b93dae37da [0,1,0,0,1,0|2,0,0]=4 1423 B11R1.214 O=Cc1csc(c1)NCCI f19ad6d2f5d7f4a93be495928d8f919b [0,1,0,0,1,0|2,0,0]=4 1424 B11R1.214 O=Cc1csc(c1)NCCO 32bb998900b9fabee10ce392f4dceea8 [0,1,0,0,1,0|2,0,0]=4 1425 B11R1.214 O=Cc1csc(c1)NCCS 9daee205dbbe91bc30f2a5b536122850 [0,1,0,0,1,0|2,0,0]=4 1426 B13R1.4 CC(C)(C)Nc1ccc(nc1)C=O 8683d66cf5607aa1e17a47483c6b3129 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.5 C#CC(C)Nc1ccc(cc1)C=O bb136c6037c195c392777fc29ad0c14a [0,2,0,0,0,0|1,0,0]=3 1428 B13R1.5 C#CC(C)Nc1ccc(cn1)C=O 840736be578b063a9eba62096abee456 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.5 C#CC(C)Nc1ccc(nc1)C=O aed320f5609b7d1108f5bd944b6b0471 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.5 C#CC(C)Oc1ccc(cc1)C=C ada21a46327168ddf78f0936b83734d8 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.5 C#CC(C)Oc1ccc(cc1)C=O 04b7fa601e9786f994fe390b656ed92c [0,2,0,0,0,0|0,0,0]=2 1432 B13R1.5 C#CC(C)Oc1ccc(cc1)OC dc07d893bb0ed4f2c1d929642fd24745 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.5 C#CC(C)Oc1ccc(cn1)C=O dca114c587f87e01d4325eed44f91510 [0,2,0,0,0,0|1,0,0]=3 1434 B13R1.5 C#CC(C)Oc1ccc(nc1)C=O 831b6bb73355b4d6d82609efd859e58e [0,2,0,0,0,0|1,0,0]=3 1435 B13R1.5 C#CC(C)Oc1ccc(nn1)C=O bb34e48669745189e2d50a56a509181c [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.5 C#CC(C)Oc1ncc(cn1)C=O b3761308d0a9bd1d9c6f9c4f9323d69b [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.5 C#Cc1ccc(cc1)OC(C)C=C 9b62bca12640f96a13128e64e8b7736a [0,2,0,0,0,0|1,0,1]=4 1438 B13R1.5 C#Cc1ccc(cc1)OC(C)C=O c716b480c2644e59e495ad6a4d8ccbb0 [0,2,0,0,0,0|1,0,1]=4 1439 B13R1.5 C#Cc1ccc(cc1)OC(C)CC 14b48582d680031a171adfbead381ea4 [0,2,0,0,0,0|1,0,1]=4 1440 B13R1.5 C#Cc1ccc(cc1)O[C@H](C)C=O 2183fb6a4def3969494d0c799f8414ac [0,2,0,0,0,0|1,0,1]=4 1441 B13R1.5 C=CC(C)Nc1ccc(cc1)C=O 7368c8f126a9a7196545c2e9a8e978e3 [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.5 C=CC(C)Nc1ccc(cn1)C=O 76e87496435b2349125e167b3c239855 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.5 C=CC(C)Nc1ccc(nc1)C=O d41706ad428a0d7e9260138569bfcbba [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.5 C=CC(C)Oc1ccc(cc1)C#N 28cc8e69cd2018badd04af7a08e42dbf [0,2,0,0,0,0|1,0,1]=4 1445 B13R1.5 C=CC(C)Oc1ccc(cc1)C=O 315aed7b2e2836516e21be54d340cbc8 [0,2,0,0,0,0|0,0,0]=2 1446 B13R1.5 C=CC(C)Oc1ccc(cc1)CC fc929d87e6e5e1d4c291970f060f7230 [0,2,0,0,0,0|1,0,1]=4 1447 B13R1.5 C=CC(C)Oc1ccc(cc1)N=O 370a5e6626a7f5f9408928c71221870b [0,2,0,0,0,0|1,0,0]=3 1448 B13R1.5 C=CC(C)Oc1ccc(cc1)OC fc7381e091bba7dcdd9da58b3bea7612 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.5 C=CC(C)Oc1ccc(cc1)SC 23a3ff2652c2d97441d4a070331289aa [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.5 C=CC(C)Oc1ccc(cn1)C=O ed5bbf3da9bf77bfa7f6c4e484459de9 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.5 C=CC(C)Oc1ccc(nc1)C=O b36e0eb81635c9de6a26ddf2cab9a2fe [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.5 C=CC(C)Oc1ccc(nn1)C=O 7843f41c1e36fe2df353edcc670fa9eb [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.5 C=CC(C)Oc1ncc(cn1)C=O 8adb9f0c0126f67ea9e751431ec81731 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 69ee1034f84ef463682ca69c64a0c21f [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 341e1b3e08aa6bdeda07f045cbfccd45 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.5 C=Cc1ccc(cc1)NC(C)C=C e33b8a0254d0bc411dc9385c81a248ad [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.5 C=Cc1ccc(cc1)NC(C)C=O 5eab6c8ef1f15eb2fea7a94490e47121 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.5 C=Cc1ccc(cc1)NC(C)CC 873cf530b192fab4da49ec489fbb8887 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.5 C=Cc1ccc(cc1)NC(C)CO cc9dbf835493bd25915c45ff5cd42955 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.5 C=Cc1ccc(cc1)N[C@@H](C)CO 9f6b807d0f72f7056e1331810b9b93ad [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.5 C=Cc1ccc(cc1)N[C@H](C)C=O 9df1b29b9e4557d0d6bb72183f09f720 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.5 C=Cc1ccc(cc1)N[C@H](C)CO f0f36a4b0370c763175fe2f28e10343c [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.5 C=Cc1ccc(cc1)OC(C)C#N 665069e21a3cecdd375c9187df938dc8 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.5 C=Cc1ccc(cc1)OC(C)C=C 159e47468063d3f18e09302e3ba88a53 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.5 C=Cc1ccc(cc1)OC(C)C=O 2b8ac04e15f5a9d77c8f03b94391caed [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.5 C=Cc1ccc(cc1)OC(C)CC f5ff78283d509e8ce073265314ba808d [0,2,0,0,0,0|1,0,0]=3 1467 B13R1.5 C=Cc1ccc(cc1)OC(F)C#N c53ccd91650b31fcaeffb26f0cbf92b0 [0,2,0,0,0,0|1,0,1]=4 1468 B13R1.5 C=Cc1ccc(cc1)O[C@H](C)C=O 7bf1edf1b725699d385942548af9a8a8 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.5 CC(C#N)Nc1ccc(cn1)C=O 8cec08e4f1742880e95efb0562f3534b [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.5 CC(C#N)Nc1ccc(nc1)C=O 842c402bc2e9a2dbe35f3760cd616abd [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.5 CC(C#N)Oc1ccc(cc1)C=O 71d8cdfc13340e91565307a65e1998cc [0,2,0,0,0,0|0,0,0]=2 1472 B13R1.5 CC(C#N)Oc1ccc(cn1)C=O f40fc960def1fb30e1460dc3fb312048 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.5 CC(C#N)Oc1ccc(nc1)C=O 325d7c2a3dbebc6ec33c53523fd6c0fc [0,2,0,0,0,0|1,0,0]=3 1474 B13R1.5 CC(C#N)Oc1ccc(nn1)C=O 8b388627d8e7964f633c502eba579425 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.5 CC(C#N)Oc1ncc(cn1)C=O 1c944169fd3961feb000eae50fc6b87f [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.5 CC(C=O)Nc1ccc(cc1)C=O 541a3e7e119eb39c6df909834a715583 [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.5 CC(C=O)Nc1ccc(cn1)C=O 57c9a1593aad455e8dd6055a80c09518 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.5 CC(C=O)Nc1ccc(nc1)C=O 0ca25c0c905805ae4c05e6333aaba046 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.5 CC(C=O)Oc1ccc(cc1)C#N c7d6160e0eaa8dcd338b01fb94450281 [0,2,0,0,0,0|1,0,1]=4 1480 B13R1.5 CC(C=O)Oc1ccc(cc1)C=O 3b61637f5a73bb52ab9cd9a0876b99e3 [0,2,0,0,0,0|0,0,0]=2 1481 B13R1.5 CC(C=O)Oc1ccc(cc1)N=O 5df8deabe40bb0ca8af37001e5bd8e61 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.5 CC(C=O)Oc1ccc(cn1)C=O ade10f1a316903860bdb175ef7d2b542 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.5 CC(C=O)Oc1ccc(nc1)C=O 97ddb6ec66b07b56ab7efa8bc080ed7e [0,2,0,0,0,0|1,0,0]=3 1484 B13R1.5 CC(C=O)Oc1ccc(nn1)C=O 68753aa70b2da57a23f64cfe7fa8278b [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.5 CC(C=O)Oc1ncc(cn1)C=O 2beb7511220aef3e65ce974ed8a9974e [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.5 CC(CO)Nc1ccc(cc1)C=O 042482260d6bcdc19265aae4cb8c3293 [0,2,0,0,0,0|1,0,0]=3 1487 B13R1.5 CC(CO)Nc1ccc(cn1)C=O 2154aac905315d99f2877d1a562cab86 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.5 CC(CO)Nc1ccc(nc1)C=O 368946bfe48951384faf611f13bd3ebb [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.5 CCC(=O)Nc1ccc(cn1)C=O 7b8eaf887363fc295711b469f7ada0d7 [0,2,0,0,0,0|2,0,0]=4 1490 B13R1.5 CCC(C)Nc1ccc(cc1)C=O 226240af2ce81a2234a3b8a4616be3b7 [0,2,0,0,0,0|1,0,0]=3 1491 B13R1.5 CCC(C)Nc1ccc(cn1)C=O 0f661b9c0ad3fe3abc0758ade66b538f [0,2,0,0,0,0|2,0,0]=4 1492 B13R1.5 CCC(C)Nc1ccc(nc1)C=O e6a1fbd23cb83a9a99f0bd327091a983 [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.5 CCC(C)Oc1ccc(cc1)C#N b23a03b1a2e0dc934d4a7092f5c784a9 [0,2,0,0,0,0|1,0,1]=4 1494 B13R1.5 CCC(C)Oc1ccc(cc1)C=O 191b68222f6d37ec4cc42afbf6a3564f [0,2,0,0,0,0|0,0,0]=2 1495 B13R1.5 CCC(C)Oc1ccc(cc1)N=O b26fd91d5d270fc2d8192742d5f35dc1 [0,2,0,0,0,0|1,0,0]=3 1496 B13R1.5 CCC(C)Oc1ccc(cc1)OC ddec374cfdc0d6c49a2b118bfc4d8f4d [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.5 CCC(C)Oc1ccc(cc1)SC 7f1d88515aab08452fa973160753ceb2 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.5 CCC(C)Oc1ccc(cn1)C=O 2094b4aa1d04cb956ca0db05590fdfce [0,2,0,0,0,0|1,0,0]=3 1499 B13R1.5 CCC(C)Oc1ccc(nc1)C=O f4970a8400b716a10e526bb6ad45a112 [0,2,0,0,0,0|1,0,0]=3 1500 B13R1.5 CCC(C)Oc1ccc(nn1)C=O 59b502b14a8e4050104ea7dc99ebbee4 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.5 CCC(C)Oc1ncc(cn1)C=O 786e74d13cde5e55f64d4354a14badf2 [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 8cd8e6103ee4739510b45c52e635fb76 [0,2,0,0,0,0|1,0,0]=3 1503 B13R1.5 CC[C@@H](C)Nc1ccc(cn1)C=O c43742fc926550b6b82ca0d43e466ae5 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.5 CC[C@@H](C)Nc1ccc(nc1)C=O c4aa96f6b6cf95191a26f0bbd0ef116e [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.5 CC[C@H](C)Nc1ccc(cn1)C=O 2935eef31ee265aca0e79f67cc782a59 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.5 CC[C@H](C)Nc1ccc(nc1)C=O d44b04b16df7859234b880279e8f583f [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.5 CCc1ccc(cc1)OC(C)C=O fab312a814ca46e31f28a382bf448c21 [0,2,0,0,0,0|1,0,1]=4 1508 B13R1.5 CCc1ccc(cc1)OC(C)CC c2a22353d68bac44ec33ff284b2978ae [0,2,0,0,0,0|1,0,1]=4 1509 B13R1.5 CCc1ccc(cc1)O[C@H](C)C=O bd318b1662a0fd9f409a2f027e996b0b [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.5 COc1ccc(cc1)OC(C)C=O f528eae82d204fc6b15e94884f956d1c [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.5 COc1ccc(cc1)O[C@H](C)C=O 50ee912bd8f12762c8bfb8bc1f9178ca [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.5 CSc1ccc(cc1)OC(C)C=O 1833c4c21dde0e0cc6363591856284d3 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.5 CSc1ccc(cc1)O[C@H](C)C=O 939f53ea61edd9a164674d4e34a68f1b [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.5 C[C@@H](CO)Nc1ccc(cc1)C=O 0f2b8da61a5d7dc1e6be2c9bfee47a43 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.5 C[C@@H](CO)Nc1ccc(cn1)C=O 419a31ed7b52921ad2dccc4cd070a7f0 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.5 C[C@@H](CO)Nc1ccc(nc1)C=O 1576cc29b35e51c18079437e060f0779 [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.5 C[C@H](C=O)Nc1ccc(cc1)C=O 8d73477557a7ea898cb9755dbef089c9 [0,2,0,0,0,0|1,0,0]=3 1518 B13R1.5 C[C@H](C=O)Nc1ccc(cn1)C=O ebce8d3744b3677cd2706a8d26dce0f8 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.5 C[C@H](C=O)Nc1ccc(nc1)C=O 2bc0497c2559f286cc6cb4cf092fe5e5 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.5 C[C@H](C=O)Oc1ccc(cc1)C#N 6c79a9b637ae8ad5f541a7cdc3a7c47c [0,2,0,0,0,0|1,0,1]=4 1521 B13R1.5 C[C@H](C=O)Oc1ccc(cc1)C=O b46a133389ad07a8352382f7f2094c10 [0,2,0,0,0,0|0,0,0]=2 1522 B13R1.5 C[C@H](C=O)Oc1ccc(cc1)N=O b40029fdc4f37cb5c47ca01669516eda [0,2,0,0,0,0|1,0,0]=3 1523 B13R1.5 C[C@H](C=O)Oc1ccc(cn1)C=O f06f317184aada128bcea5bbb58300b2 [0,2,0,0,0,0|1,0,0]=3 1524 B13R1.5 C[C@H](C=O)Oc1ccc(nc1)C=O b1966e11a94c35fd105991939c672adc [0,2,0,0,0,0|1,0,0]=3 1525 B13R1.5 C[C@H](C=O)Oc1ccc(nn1)C=O 45aa34100be16f7b61e4c7fc8ae6b880 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.5 C[C@H](C=O)Oc1ncc(cn1)C=O a2813e6ed3827d928217f62f80e74991 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.5 C[C@H](CO)Nc1ccc(cc1)C=O 8c25afa1912c310245352cb5ddabf13a [0,2,0,0,0,0|1,0,0]=3 1528 B13R1.5 C[C@H](CO)Nc1ccc(cn1)C=O 071780b5606f13f2095911664c6b2a43 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.5 C[C@H](CO)Nc1ccc(nc1)C=O 6e081713317ba602c1435f9f94537c98 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.5 N#CC(F)Nc1ccc(cc1)C=O 932d0e090a26186b79f0058ef774b0f8 [0,2,0,0,0,0|1,0,1]=4 1531 B13R1.5 N#CC(F)Oc1ccc(cc1)C=O 46fb0957b68a35eb3f8ee75171caf540 [0,2,0,0,0,0|0,0,1]=3 1532 B13R1.5 N#CC(F)Oc1ccc(cn1)C=O 0e84f87ed07e71f818bb00251af11fb2 [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.5 N#CC(F)Oc1ccc(nc1)C=O f26c8b9ddf32b1daa7df115b2ad06826 [0,2,0,0,0,0|1,0,1]=4 1534 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C=O 82c8816081d8ea774c76eaadc199c244 [0,2,0,0,0,0|1,0,1]=4 1535 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C=O 13aa830758485864ad16cd7aabed5f4c [0,2,0,0,0,0|1,0,1]=4 1536 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C=O cc7d64d1e15e2590ee2a637e7edda450 [0,2,0,0,0,0|1,0,1]=4 1537 B13R1.35 CC(=O)Nc1ccc(c(c1)O)C=O 6a43d93005b092f54f6b16da316a64e6 [0,2,0,0,0,0|1,0,1]=4 1538 B13R1.35 CC(C)Nc1ccc(c(c1)Br)C=O a69f249489f691bbffc38761a13b2473 [0,2,0,0,0,0|1,0,0]=3 1539 B13R1.35 CC(C)Nc1ccc(c(c1)Cl)C=O e4e23402a6135a41cc824293c11a14d3 [0,2,0,0,0,0|1,0,0]=3 1540 B13R1.35 CC(C)Nc1ccc(c(c1)F)C=O 38090b9fcedf66bb2d617d1ae6387ee7 [0,2,0,0,0,0|1,0,0]=3 1541 B13R1.35 CC(C)Oc1ccc(c(c1)Br)C#N 9d5e645c828a972dead1821dd440f539 [0,2,0,0,0,0|1,0,1]=4 1542 B13R1.35 CC(C)Oc1ccc(c(c1)Br)C=O e51e74b89dfb55029db396b67562c0bf [0,2,0,0,0,0|0,0,0]=2 1543 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)C#N 4957733549566499dcc1c727dd492c62 [0,2,0,0,0,0|1,0,1]=4 1544 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)C=O 9fdd1dab7c1c6459411982c7e183b122 [0,2,0,0,0,0|0,0,0]=2 1545 B13R1.35 CC(C)Oc1ccc(c(c1)F)C#N fbdfa35a1ccf532405628ecaac766130 [0,2,0,0,0,0|1,0,1]=4 1546 B13R1.35 CC(C)Oc1ccc(c(c1)F)C=O b00531201679ce19e9505d4432789f84 [0,2,0,0,0,0|0,0,0]=2 1547 B13R1.35 CC(C)Oc1ccc(c(c1)I)C#N e146a5f74519537bb4a2d5e983af21a2 [0,2,0,0,0,0|1,0,1]=4 1548 B13R1.35 CC(C)Oc1ccc(c(c1)I)C=O d9c903ac8f2abf2f5fc00c6af4444a2c [0,2,0,0,0,0|0,0,0]=2 1549 B13R1.35 CC(C)Oc1cnc(c(c1)Cl)C=O deffc2b409f64282c17d4a2b4d4628d3 [0,2,0,0,0,0|1,0,0]=3 1550 B13R1.35 CC(C)Oc1cnc(c(c1)F)C=O 8133a2b6df1cf536c55c1fe98bef9c0d [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.35 CCc1ccc(cc1Br)OC(C)C 7e97c9d0b09a16e162ce7ca8f2105660 [0,2,0,0,0,0|1,0,1]=4 1552 B13R1.35 CCc1ccc(cc1Cl)OC(C)C abb696736a58ee0122e8171f1a00ddf6 [0,2,0,0,0,0|1,0,1]=4 1553 B13R1.35 CCc1ccc(cc1F)OC(C)C f7681f79fefefa734a5b6de3bc918d8f [0,2,0,0,0,0|1,0,1]=4 1554 B13R1.35 COc1ccc(cc1Br)OC(C)C e832a7b8bb3dfedf5f650da534fd39ee [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.35 COc1ccc(cc1C)OC(C)C 055e24233ac66389767b1cbea9d885ac [0,2,0,0,0,0|2,0,0]=4 1556 B13R1.35 COc1ccc(cc1Cl)OC(C)C 3740d3d1689d24ec02a9295481eab237 [0,2,0,0,0,0|2,0,0]=4 1557 B13R1.35 COc1ccc(cc1F)OC(C)C 6d62b6bae5c494ca4e3a8b996af5fe4f [0,2,0,0,0,0|2,0,0]=4 1558 B13R1.35 COc1ccc(cc1I)OC(C)C 3691e2a73c49417af8d92514921af6bc [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.35 CSc1ccc(cc1C)OC(C)C 635d586b3692f565533c5f13f02d1479 [0,2,0,0,0,0|2,0,0]=4 1560 B13R1.35 CSc1ccc(cc1Cl)OC(C)C 260abdb08ee65d7fac5ecd9095c71950 [0,2,0,0,0,0|2,0,0]=4 1561 B13R1.35 CSc1ccc(cc1F)OC(C)C bcf9818831dbf971971550e96c3a87c4 [0,2,0,0,0,0|2,0,0]=4 1562 B13R1.35 Cc1cc(ccc1C#N)OC(C)C 62d6d7c94f79d245832cea3ddad118ca [0,2,0,0,0,0|1,0,1]=4 1563 B13R1.35 Cc1cc(ccc1C=O)OC(C)C cf6b6d9f68b680c6f011df2b61d640e2 [0,2,0,0,0,0|0,0,0]=2 1564 B13R1.35 Cc1nc(ccc1C=O)NC(C)C 3743f37890e3574adeb831be3cd90e71 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.36 CC(=O)N(C)c1ccc(cc1)C=O 7b934dc58f2646cd1de1c9703ec3899a [0,2,0,0,0,0|1,0,1]=4 1566 B13R1.36 CC(C)N(C)c1ccc(cc1)C=O b62ec8de5e20606c86aad19349101009 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.36 CC(C)N(C)c1ccc(cn1)C=O b496188bc1d8a518d3b093cf7d6e90dd [0,2,0,0,0,0|2,0,0]=4 1568 B13R1.142 C#CCc1ccc(cc1)OC(C)C 8f7745f7f417b79ebc65a462cd8c0c30 [0,2,0,0,0,0|1,0,1]=4 1569 B13R1.142 C=CCc1ccc(cc1)NC(C)C 150a0aef084900ec4673ee087ed2e67b [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.142 C=CCc1ccc(cc1)OC(C)C 3a71c55c68ad055ac37b7f8428d0ee4b [0,2,0,0,0,0|1,0,0]=3 1571 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 75fc1214a99a678f4166f0b9f700f5f8 [0,2,0,0,0,0|1,0,0]=3 1572 B13R1.142 CC(=O)Nc1ccc(cc1)CCBr 56b3f8581e1cfacfd9bb71ea371c32f7 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 78bb66b7ff3716af0872f5ca85176c53 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.142 CC(=O)Nc1ccc(cc1)NC=O 2da5e7c4f6220f06cee92b6901fb3591 [0,2,0,0,0,0|1,0,1]=4 1575 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 7aac4b02c41272eff41f2280e6e09b57 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.142 CC(=O)Nc1ccc(cc1)NCO 34337ec7b494398e81fc568640e5e9ad [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 715a040b12cbfea9597b85337449d8fe [0,2,0,0,0,0|1,0,0]=3 1578 B13R1.142 CC(=O)Nc1ccc(cn1)OCF c675fb5991c13d123ebc6c62934b4eeb [0,2,0,0,0,0|2,0,0]=4 1579 B13R1.142 CC(=O)Nc1ccc(nc1)OCF 95bafe9fd3ffee584e8117abba96d940 [0,2,0,0,0,0|2,0,0]=4 1580 B13R1.142 CC(=O)Oc1ccc(cc1)NC=O 0f6f6072577684bbba1317e30b3d0d36 [0,2,0,0,0,0|0,0,1]=3 1581 B13R1.142 CC(=O)Oc1ccc(cc1)NCF c8a42ff2bf4b244c3d455b22b5be46d6 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.142 CC(=O)Oc1ccc(cc1)NCO 764aa50059768f0f077d99ca40a2d847 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.142 CC(=O)Oc1ccc(cc1)OCF 88ed36f87e4ffef0ec393abd77b71834 [0,2,0,0,0,0|1,0,0]=3 1584 B13R1.142 CC(C)Cc1ccc(cc1)NC=O 6f95e18e8457f75b73cae377e3af8826 [0,2,0,0,0,0|1,0,0]=3 1585 B13R1.142 CC(C)Cc1ccc(cn1)NC=O 1c711e6f0846c79a0767f5f80d8319e7 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7e03789b89a6cef1afba62c576d936c1 [0,2,0,0,0,0|1,0,1]=4 1587 B13R1.142 CC(C)Oc1ccc(cc1)CC=O 7a881167b9a5cefb9bc2f1d31711b1eb [0,2,0,0,0,0|0,0,0]=2 1588 B13R1.142 CC(C)Oc1ccc(cc1)CCF 7096172ff5af6afdf261ea5a1fa89879 [0,2,0,0,0,0|1,0,1]=4 1589 B13R1.142 CC(C)Oc1ccc(cc1)NC=O 870d56a770d2133a3be35423113a25f2 [0,2,0,0,0,0|0,0,0]=2 1590 B13R1.142 CC(C)Oc1ccc(cc1)NCF f7f6ad53c2efeb9922b9a3ef72982a6d [0,2,0,0,0,0|1,0,1]=4 1591 B13R1.142 CC(C)Oc1ccc(cc1)NCO 96662adb2ddf4d45cd7379a7b6f96792 [0,2,0,0,0,0|0,0,2]=4 1592 B13R1.142 CC(C)Oc1ccc(cc1)OCF 17130c347d069aeaf7cb1bc92c7bd5ff [0,2,0,0,0,0|1,0,1]=4 1593 B13R1.142 CC(C)Oc1ccc(cn1)NC=O d8e829f97d323d8ebff6a7f6bac9ba9a [0,2,0,0,0,0|1,0,0]=3 1594 B13R1.142 CC(C)Oc1ccc(nn1)NC=O 117e35e44261eba275abc24262f3c43f [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.142 CC(C)Oc1cnc(cn1)NC=O c46244290df40b9616ce895401c3bd9f [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.142 CC(C)Sc1ccc(cc1)NC=O 3ef6e989b65ccc2925cc6eae7b1d3af6 [0,2,0,0,0,0|0,1,0]=3 1597 B13R1.142 CCCc1ccc(cc1)NC(=O)C 4344993057e564a1d0571b36936ffa47 [0,2,0,0,0,0|1,0,0]=3 1598 B13R1.142 CCCc1ccc(cc1)OC(C)C 456d070db70f39855797de72245dce56 [0,2,0,0,0,0|1,0,1]=4 1599 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2b8a09d391ff29d566f822c5cd9d3bc8 [0,2,0,0,0,0|1,0,0]=3 1600 B13R1.142 CCNc1ccc(cc1)CC(=O)O 2cc3a05f04e8b5e750f83d826d47f288 [0,2,0,0,0,0|1,0,0]=3 1601 B13R1.142 CCNc1ccc(cc1)NC(=O)C 5cd8c0f2190696e6f0d15e9a0961df41 [0,2,0,0,0,0|1,0,0]=3 1602 B13R1.142 CCNc1ccc(cc1)NC(=O)N 2312de0633b0f68531676843cc83015c [0,2,0,0,0,0|1,0,0]=3 1603 B13R1.142 CCNc1ccc(cc1)NC(=S)N d3fe5a5ac8e416b69dfdb6d4b0c2b42b [0,2,0,0,0,0|1,1,0]=4 1604 B13R1.142 CCNc1ccc(cc1)OC(=O)C a1d0aad4683dd3b385d0e29fe7f5919e [0,2,0,0,0,0|1,0,0]=3 1605 B13R1.142 CCNc1ccc(cc1)OC(C)C 9791d81b2fa341c94a8c984588454d38 [0,2,0,0,0,0|1,0,1]=4 1606 B13R1.142 CCNc1ccc(cn1)CC(=O)O 50308e5d6db153ef483303afbd0f93f3 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.142 CCNc1ccc(nc1)NC(=O)C 4161ac5519b3f02e176c34675cb83483 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.142 CCOc1ccc(cc1)CC(=O)C d80e0580aaa0797b2b307176797c60e8 [0,2,0,0,0,0|0,0,0]=2 1609 B13R1.142 CCOc1ccc(cc1)CC(=O)N eb659dcc5323b7c328435d8368fef1c1 [0,2,0,0,0,0|0,0,0]=2 1610 B13R1.142 CCOc1ccc(cc1)CC(=O)O 3e3f9ad058692ade9bce9ac403466c1d [0,2,0,0,0,0|0,0,0]=2 1611 B13R1.142 CCOc1ccc(cc1)CC(C)C 12bb2357add226cea404f6c015341b41 [0,2,0,0,0,0|1,0,1]=4 1612 B13R1.142 CCOc1ccc(cc1)CN(C)C 1517776ac60878ebbdebf40e6254e495 [0,2,0,0,0,0|1,0,1]=4 1613 B13R1.142 CCOc1ccc(cc1)NC(=O)C ea4e3cc9a585eaba961ba701c8f21158 [0,2,0,0,0,0|0,0,0]=2 1614 B13R1.142 CCOc1ccc(cc1)NC(=O)N f904d36d79f59f4e8042184805b17a69 [0,2,0,0,0,0|0,0,0]=2 1615 B13R1.142 CCOc1ccc(cc1)NC(=S)N 0bf6e6a1ef28c45f907b0a60f0ae0962 [0,2,0,0,0,0|0,1,0]=3 1616 B13R1.142 CCOc1ccc(cc1)NC(C)C 8e32b1ed9cae08d9f5404617754d4b2c [0,2,0,0,0,0|1,0,1]=4 1617 B13R1.142 CCOc1ccc(cc1)OC(=O)C 52c79dd603bbd283f78b093adeb4e062 [0,2,0,0,0,0|0,0,0]=2 1618 B13R1.142 CCOc1ccc(cc1)OC(C)C 52e1c0a1919664bde0184c4037267ce4 [0,2,0,0,0,0|1,0,1]=4 1619 B13R1.142 CCOc1ccc(cc1)OC(F)F c0e000225a958047ab5a96fca0d953de [0,2,0,0,0,0|1,0,1]=4 1620 B13R1.142 CCOc1ccc(cc1)SC(C)C 066a078e41bc3d45546bd1bead96dab8 [0,2,0,0,0,0|1,0,1]=4 1621 B13R1.142 CCOc1ccc(cn1)CC(=O)O fb714ed27847999764d0be56c74ed84e [0,2,0,0,0,0|1,0,0]=3 1622 B13R1.142 CCOc1ccc(cn1)NC(=O)C afe9300fce19dbf64212781359c1e083 [0,2,0,0,0,0|1,0,0]=3 1623 B13R1.142 CCOc1ccc(nc1)CC(=O)O 93b553dee4c522a44c79c5e389df2787 [0,2,0,0,0,0|1,0,0]=3 1624 B13R1.142 CCOc1ccc(nc1)NC(=O)C 9f7c81dfd983756e01124e62d3e776d7 [0,2,0,0,0,0|1,0,0]=3 1625 B13R1.142 CCOc1ccc(nn1)NC(=O)C 5168fb8e096ea5641d1933644420bd0d [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.142 CCOc1ncc(cn1)NC(=O)C 6ffd24b201c2dac0859567890cee4c47 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.142 CCSc1ccc(cc1)OC(C)C 433c3420cec1e27fbdb9eeda0da9d2b4 [0,2,0,0,0,0|1,0,1]=4 1628 B13R1.142 CN(C)Cc1ccc(cc1)NC=O 6a608d4ce9c61c62a58e0f6ca9979874 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.142 COCc1ccc(cc1)NC(=O)C 465513ec488266f4aa1a92c09f4bab5c [0,2,0,0,0,0|2,0,0]=4 1630 B13R1.142 COCc1ccc(cc1)OC(C)C 5e6673597bdea662dc01f24ee4fc10dc [0,2,0,0,0,0|0,0,2]=4 1631 B13R1.142 CSCc1ccc(cc1)NC(=O)C 932de68c2db355302ae9f9c40c8d5520 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 0b7ab8deee11b958de8d6bed8d4b3a11 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.142 NC(=O)Cc1ccc(cc1)NCO fa357fdf96865eb1828966b88a4108c9 [0,2,0,0,0,0|2,0,0]=4 1634 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 454d7470c37e39a17f72633e6c68e8ed [0,2,0,0,0,0|1,0,0]=3 1635 B13R1.142 NC(=O)Nc1ccc(cc1)NCF 59af92040d4471f66e583d87be8226c2 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.142 NC(=O)Nc1ccc(cc1)NCO e71d55555b6346dc976e5a49255b0028 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.142 NC(=O)Nc1ccc(cc1)OCF 13d1939bf8cad471a3e78de2a5366f49 [0,2,0,0,0,0|1,0,0]=3 1638 B13R1.142 NC(=S)Nc1ccc(cc1)OCF 2c029396789159c0c168646f4d2dc17c [0,2,0,0,0,0|1,1,0]=4 1639 B13R1.142 O=C(O)Cc1ccc(cc1)NCF d60fd0028d7ed257ccc9c8d6a051d87c [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.142 O=C(O)Cc1ccc(cc1)NCO 938ffa4f29c5f5ea03e8fcfa34f51252 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.142 O=C(O)Cc1ccc(cc1)OCF 7d39c98a593b15cc1517e1ce3c1d0653 [0,2,0,0,0,0|1,0,0]=3 1642 B13R1.142 O=C(O)Cc1ccc(cn1)OCF e6a4b4fda041d407e237f0461c6492e6 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.142 O=C(O)Cc1ccc(nc1)OCF be6d70821e5b34c70c68a1dbefba2994 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.142 O=CNc1ccc(cc1)CC(F)F e6274302b314e4a9927d47dda9929914 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.142 O=CNc1ccc(cc1)OC(F)F e7ed5030b4b4d1840a8db88251fb39cf [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.142 O=CNc1ccc(cc1)SC(F)F 97c1d062bc869f1b97dc545697da133d [0,2,0,0,0,0|1,1,0]=4 1647 B13R1.142 O=CNc1ccc(cn1)OC(F)F 9ec6469bf055a6d642216f3f52f90920 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.142 O=CNc1ccc(nc1)OC(F)F a42d634080ed49f615acc0cbbd6a629f [0,2,0,0,0,0|2,0,0]=4 1649 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C c728777fa1e53559069851fad769b63a [0,2,0,0,0,0|1,0,0]=3 1650 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 32caac7d87eeae7a025e3ee6687b2850 [0,2,0,0,0,0|1,0,1]=4 1651 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N a222e9a1c0783b453c0ec254a85faf87 [0,2,0,0,0,0|1,0,1]=4 1652 B13R1.585 CC(=O)c1ccc(cc1)NC(C)C 8b5a780fbf36f9b7308bb2274dc9115c [0,2,0,0,0,0|1,0,0]=3 1653 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 9071a26d99745e5c4ccc5deee6daf818 [0,2,0,0,0,0|0,0,0]=2 1654 B13R1.585 CC(=O)c1ccc(cn1)NC(C)C f92639c5e8d19efde4bb0c21cfbc1fef [0,2,0,0,0,0|2,0,0]=4 1655 B13R1.585 CC(=O)c1ccc(cn1)OC(C)C 9bf89bae95374ff2ad464e9d43ea0328 [0,2,0,0,0,0|1,0,0]=3 1656 B13R1.585 CC(=O)c1ccc(nc1)NC(C)C d185f5692458b18ea5e311a5c1c0eaa2 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.585 CC(=O)c1ccc(nc1)OC(C)C c69bb0e5373fe76b3709bfa892a2bdc3 [0,2,0,0,0,0|1,0,0]=3 1658 B13R1.585 CC(=O)c1cnc(cn1)OC(C)C 6ce166006114f4cec16b05e726fb2157 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.585 CC(=O)c1cnc(nc1)OC(C)C 7b57ad7b5b8e1417510eb91027ca532c [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)N 6f573655090a284632e32e0fa95476fd [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)O 4412f684aaca0b8495291f0590a3ef57 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.585 CC(C)Nc1ccc(cc1)C(=S)N 5eb15e675b982e83b6a6d68889443219 [0,2,0,0,0,0|1,1,0]=4 1663 B13R1.585 CC(C)Nc1ccc(cc1)S(=O)C 6558c429263532ec0e1fef84f81a83c0 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] e9102099a9552ed4c6ead8b013a28107 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.585 CC(C)Nc1ccc(cn1)C(=O)N 8e462f8771b04efc352d362b17e878f4 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.585 CC(C)Nc1ccc(cn1)C(=O)O 87da24ff5008d49798633fb0047d8dfe [0,2,0,0,0,0|2,0,0]=4 1667 B13R1.585 CC(C)Nc1ccc(nc1)C(=O)N b1facd0a4df06442688fce47ba60c97e [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.585 CC(C)Nc1ccc(nc1)C(=O)O 37ae459c40e25e4d238272630a4926f5 [0,2,0,0,0,0|2,0,0]=4 1669 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)N 5814f45e55462d66647a1e933127e05e [0,2,0,0,0,0|0,0,0]=2 1670 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)O c6a3ac8fa0820ca9cc9b091b9908ef0c [0,2,0,0,0,0|0,0,0]=2 1671 B13R1.585 CC(C)Oc1ccc(cc1)C(=S)N a980845b58448d069ac8e85e6bfa3f81 [0,2,0,0,0,0|0,1,0]=3 1672 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C cc289477fa7eab9044cd1fe112276acb [0,2,0,0,0,0|1,0,1]=4 1673 B13R1.585 CC(C)Oc1ccc(cc1)N(C)C fb89af93f45b678443442fddbc50d8f8 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C c3cc33fb9cf73645aba52a834c952a14 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] 54280527fc0f4565ec1a61689a02170f [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.585 CC(C)Oc1ccc(cn1)C(=O)N b7c8031ea0997f151736383638482118 [0,2,0,0,0,0|1,0,0]=3 1677 B13R1.585 CC(C)Oc1ccc(cn1)C(=O)O 5128db23b921055c2482428b61dd3830 [0,2,0,0,0,0|1,0,0]=3 1678 B13R1.585 CC(C)Oc1ccc(cn1)C(=S)N 021289e44589ad9271b8b58f87bcd4f4 [0,2,0,0,0,0|1,1,0]=4 1679 B13R1.585 CC(C)Oc1ccc(nc1)C(=O)N 740139f464015edebbce62189f3465ff [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.585 CC(C)Oc1ccc(nc1)C(=O)O 251a0f9c8731e8aa9a7b4522b73aa429 [0,2,0,0,0,0|1,0,0]=3 1681 B13R1.585 CC(C)Oc1ccc(nc1)[N+](=O)[O-] f52bf464d63e84a3484d20c0c2de736f [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.585 CC(C)Oc1cnc(cn1)C(=O)N 7c1ca8f802200d5efeba18a5cc01533b [0,2,0,0,0,0|2,0,0]=4 1683 B13R1.585 CC(C)Oc1cnc(cn1)C(=O)O 02245091ec57badc834fe23354e636ba [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.585 CC(C)Oc1cnc(nc1)C(=O)O 1c07d8509a445843ec6d2db7bd2ffc96 [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.585 CC(C)Oc1ncc(cn1)C(=O)N 044319839e0e9d6ef7c43dd59a1b7847 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.585 CC(C)Oc1ncc(cn1)C(=O)O 26fad88a82f8a403415830abaf697849 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.653 C=Cc1ccc(c(c1)I)OC(C)C 0007d670a4f8e00ddeea575bc6df3dc5 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.653 CC(C)Nc1ccc(cc1Br)C=O e5574b9a0fb12f0d5146b27ecd8ca5f7 [0,2,0,0,0,0|1,0,0]=3 1689 B13R1.653 CC(C)Nc1ncc(cc1Br)C=O 0685d7a48e3ee85400e90f178e47b71e [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.653 CC(C)Oc1ccc(cc1Br)C#N 2a0c186a6c63078f2aa6f8f969c66899 [0,2,0,0,0,0|1,0,1]=4 1691 B13R1.653 CC(C)Oc1ccc(cc1Br)C=O 3e770723afbc4d7e474ab65f5d4c8b20 [0,2,0,0,0,0|0,0,0]=2 1692 B13R1.653 CC(C)Oc1ccc(cc1Cl)C#N 1ca256db9aab6c5ea63ff9688e7e35f4 [0,2,0,0,0,0|1,0,1]=4 1693 B13R1.653 CC(C)Oc1ccc(cc1Cl)C=O 37febb94e431edff552d57c61410d453 [0,2,0,0,0,0|0,0,0]=2 1694 B13R1.653 CC(C)Oc1ccc(cc1F)C#N 0c40f9f04b68825ed0727332631b080e [0,2,0,0,0,0|1,0,1]=4 1695 B13R1.653 CC(C)Oc1ccc(cc1F)C=O f57d9db301df7b84f3fc62ab0a2d1138 [0,2,0,0,0,0|0,0,0]=2 1696 B13R1.653 CC(C)Oc1ccc(cc1I)C#N b56428989b7669b73941eea281f1a4f8 [0,2,0,0,0,0|1,0,1]=4 1697 B13R1.653 CC(C)Oc1ccc(cc1I)C=O 26c13058618a9f21e8b24436ef1e7290 [0,2,0,0,0,0|0,0,0]=2 1698 B13R1.653 CC(C)Oc1ccc(nc1Br)C=O 30b22938aa20b0cafb20aabcf5fca008 [0,2,0,0,0,0|1,0,0]=3 1699 B13R1.653 CC(C)Oc1ncc(cc1Cl)C=O 4c6a5c39c143c9147f4e5d3e7d2b5f38 [0,2,0,0,0,0|1,0,0]=3 1700 B13R1.653 CC(C)Oc1ncc(cc1F)C=O 819e7992f7d8c12723a39fc311c8ec20 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C a24062e92feedbcdabf0d098610dbd22 [0,2,0,0,0,0|1,0,1]=4 1702 B13R1.653 CCc1ccc(c(c1)C)OC(C)C d5e74939a165f369b782f2804d64c8ce [0,2,0,0,0,0|1,0,1]=4 1703 B13R1.653 CCc1ccc(c(c1)Cl)OC(C)C fbf5e5282ae63bafa88bbcb272902492 [0,2,0,0,0,0|1,0,1]=4 1704 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 3625f3b539b35298743d3daed8e904df [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.653 COc1ccc(c(c1)C)OC(C)C df1cbf72a86fed3dc3f5527d9c956941 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 5b71e99a5df2a6833b0e50191780e832 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.653 COc1ccc(c(c1)F)OC(C)C afe4fffe1ec014ae2d5af09dbb1ca8f3 [0,2,0,0,0,0|2,0,0]=4 1708 B13R1.653 COc1ccc(c(c1)I)OC(C)C 92586f7b711b01edffce3689b01fc6e7 [0,2,0,0,0,0|2,0,0]=4 1709 B13R1.653 CSc1ccc(c(c1)Br)OC(C)C 170108f3f325c3f404245da545f0a1bd [0,2,0,0,0,0|2,0,0]=4 1710 B13R1.653 CSc1ccc(c(c1)C)OC(C)C a51a5347df3e79bb7c166bd4b6cb9b5f [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.653 Cc1cc(ccc1OC(C)C)C#N f3e5e5b0d531d4477512a399fd58c4ca [0,2,0,0,0,0|1,0,1]=4 1712 B13R1.653 Cc1cc(ccc1OC(C)C)C=O 401734b2b6f1e125cd9e3dda0b740baa [0,2,0,0,0,0|0,0,0]=2 1713 B13R1.653 Cc1cc(cnc1OC(C)C)C=O 2bab23c94fad37efafc41da9f75db4d0 [0,2,0,0,0,0|1,0,0]=3 1714 B13R1.653 Cc1nc(ccc1NC(C)C)C=O acad65af32350999a0fa7ca1816eea07 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.39 CCN(C=O)c1ccc(cc1)C=O b6365f4a31c0c825d8d8133ed4c134fd [0,2,0,0,0,0|1,0,0]=3 1716 B13R1.39 CCN(CC)c1ccc(cc1)C=O 2281a7a5cb89df1fa6fc3ed67b0a85c2 [0,2,0,0,0,0|1,0,0]=3 1717 B13R1.39 CCN(CF)c1ccc(cc1)C=O 0981dffde89d4b0aeb5d10a7b26f399a [0,2,0,0,0,0|1,0,0]=3 1718 B13R1.39 CCN(CO)c1ccc(cc1)C=O af84571339b59042caa7ad748504fa93 [0,2,0,0,0,0|1,0,0]=3 1719 B13R1.95 CCN(C)c1ccc(cc1Br)C=O ee79383356f074ce164b1f426c65fca8 [0,2,0,0,0,0|1,0,0]=3 1720 B13R1.95 CCN(C)c1ncc(cc1C)C=O a2e120128e8b90182077c5c38cc679ce [0,2,0,0,0,0|2,0,0]=4 1721 B13R1.95 CN(CF)c1ccc(cc1Br)C=O 34169e05ceef23705a34bc6c995f73b1 [0,2,0,0,0,0|2,0,0]=4 1722 B13R1.95 CN(CO)c1ccc(cc1Br)C=O 264f3e52f9db4a07922970f20be34ccc [0,2,0,0,0,0|2,0,0]=4 1723 B13R1.139 C=CCc1ccc(cc1)N(C)CC 3d44ff8d4301be67039c294fe1287124 [0,2,0,0,0,0|2,0,0]=4 1724 B13R1.139 CCC(=O)c1ccc(cc1)NC=O 17c7e1a4143492ea808f09b2097119a0 [0,2,0,0,0,0|1,0,0]=3 1725 B13R1.139 CCC(=O)c1ccc(cc1)NCF 10c4ad392622cfb0bbbe40aa4cf73106 [0,2,0,0,0,0|2,0,0]=4 1726 B13R1.139 CCC(=O)c1ccc(cc1)NCO 60ac01c879360b096e535e18dbf45c70 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.139 CCC(=O)c1ccc(cc1)OCF 90c6abc59b2cdb6e05c7332d51c11653 [0,2,0,0,0,0|1,0,0]=3 1728 B13R1.139 CCC(C)c1ccc(cc1)NC=O 8a277943d5ff2f222bcc55b0949260d1 [0,2,0,0,0,0|1,0,0]=3 1729 B13R1.139 CCC(O)c1ccc(cc1)NC=O 02678ca23138722109e00d86e8d1e908 [0,2,0,0,0,0|1,0,0]=3 1730 B13R1.139 CCN(C)c1ccc(cc1)CC=O 0a297eaeabe34644163889baca984e0c [0,2,0,0,0,0|1,0,0]=3 1731 B13R1.139 CCN(C)c1ccc(cc1)NC=O f8de714367d4e4baf8b80132fc618523 [0,2,0,0,0,0|1,0,0]=3 1732 B13R1.139 CCNc1ccc(cc1)C(=O)CBr 2dd7f1a931a30acbbaab76ace3039495 [0,2,0,0,0,0|1,0,0]=3 1733 B13R1.139 CCNc1ccc(cc1)C(=O)CC fb0d18d6708af4bdae4dcbc0fb414e98 [0,2,0,0,0,0|1,0,0]=3 1734 B13R1.139 CCNc1ccc(cc1)C(=O)CCl 8e03f31848d3898b7ee4129ff58c354c [0,2,0,0,0,0|1,0,0]=3 1735 B13R1.139 CCNc1ccc(cc1)C(=O)NC a474f315e31d85e56071342a48676a90 [0,2,0,0,0,0|1,0,0]=3 1736 B13R1.139 CCNc1ccc(cc1)C(=O)NO a885b514333705c0e496e30339a53a0c [0,2,0,0,0,0|1,0,0]=3 1737 B13R1.139 CCNc1ccc(cc1)C(=O)OC dd765f1276ed909864650b10aee486d3 [0,2,0,0,0,0|1,0,0]=3 1738 B13R1.139 CCNc1ccc(cn1)C(=O)NC ec4054f245f092fe331a850ce3d4166a [0,2,0,0,0,0|2,0,0]=4 1739 B13R1.139 CCNc1ccc(cn1)C(=O)OC c1cbb2fcf564e5852bd33d12170957f9 [0,2,0,0,0,0|2,0,0]=4 1740 B13R1.139 CCNc1ccc(nc1)C(=O)NC 690e98f553f296e1b181df54c5d22a89 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.139 CCNc1ccc(nc1)C(=O)OC e6acbeb658e178f842a0f5b4c84ecf8d [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.139 CCOc1ccc(cc1)C(=O)C=O e402546743b3af85269acdc7a70581f2 [0,2,0,0,0,0|0,0,0]=2 1743 B13R1.139 CCOc1ccc(cc1)C(=O)CC c9a13db665da42a8ebb2ea15795d22cc [0,2,0,0,0,0|0,0,0]=2 1744 B13R1.139 CCOc1ccc(cc1)C(=O)CF 73cb92f4d5260b2655adf607b2b5e5b5 [0,2,0,0,0,0|0,0,0]=2 1745 B13R1.139 CCOc1ccc(cc1)C(=O)NC 5853460c3dd0b1088b7fd97b1c7c358b [0,2,0,0,0,0|0,0,0]=2 1746 B13R1.139 CCOc1ccc(cc1)C(=O)OC 3e75b53a78270d5f6be841a8e24f6c96 [0,2,0,0,0,0|0,0,0]=2 1747 B13R1.139 CCOc1ccc(cc1)C(C)OC be3b3531e6fc70e14245bfd3ab41cb9f [0,2,0,0,0,0|0,0,2]=4 1748 B13R1.139 CCOc1ccc(cc1)N(C)C=O 7ba67980bd906f5e94fc50677cf9e0e8 [0,2,0,0,0,0|0,0,0]=2 1749 B13R1.139 CCOc1ccc(cc1)N(C)CF 0c97a09ccb177d334054e17130cd1978 [0,2,0,0,0,0|1,0,1]=4 1750 B13R1.139 CCOc1ccc(cc1)N(C)CO 0c0894a3c149ab61b4bed4b993fe5dc3 [0,2,0,0,0,0|0,0,2]=4 1751 B13R1.139 CCOc1ccc(cn1)C(=O)OC 3a94a619d244fabbc6bdcd415d780846 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.139 CCOc1ccc(nc1)C(=O)NC 3fdb483eeb44ee45126f0d3dd5948bc4 [0,2,0,0,0,0|1,0,0]=3 1753 B13R1.139 CCOc1ccc(nc1)C(=O)OC 72adae7af16f04d0a06a199a7e30827c [0,2,0,0,0,0|1,0,0]=3 1754 B13R1.139 CCOc1cnc(cn1)C(=O)OC 4f9b4131adf13675cf9ebf11d74bc434 [0,2,0,0,0,0|2,0,0]=4 1755 B13R1.139 CN(C=O)c1ccc(cc1)CCO 45b20350f0c588db451102761f8a0684 [0,2,0,0,0,0|2,0,0]=4 1756 B13R1.139 CNC(=O)c1ccc(cc1)NC=O ee256b4df43d2b433117bef66fc4bf7a [0,2,0,0,0,0|2,0,0]=4 1757 B13R1.139 CNC(=O)c1ccc(cc1)NCF 3f2e69ce2094ad42d3e17bd9a76e63b6 [0,2,0,0,0,0|2,0,0]=4 1758 B13R1.139 CNC(=O)c1ccc(cc1)NCO 4ef5e680f08fa72cd1e1de455607051b [0,2,0,0,0,0|2,0,0]=4 1759 B13R1.139 CNC(=O)c1ccc(cc1)OCF 942e450b43b741a5bd331eb96f694f3b [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.139 CNC(=O)c1ccc(cn1)OCF ab8fc17918d339040c67dd3012dac6c9 [0,2,0,0,0,0|2,0,0]=4 1761 B13R1.139 COC(=O)c1ccc(cc1)NC=O a7f77b659cc95a724807a56763ed8c9e [0,2,0,0,0,0|2,0,0]=4 1762 B13R1.139 COC(=O)c1ccc(cc1)NCF 28ae02c79ce29e5667b6136a2cacc145 [0,2,0,0,0,0|2,0,0]=4 1763 B13R1.139 COC(=O)c1ccc(cc1)NCO ad3bcda557c4b3729ee186a87dd55061 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.139 COC(=O)c1ccc(cc1)OCF 64bd49f85dded0f4c34376fa8cb228c7 [0,2,0,0,0,0|1,0,0]=3 1765 B13R1.139 COC(=O)c1ccc(cn1)OCF 5267354e48260a30702decd84aedf883 [0,2,0,0,0,0|2,0,0]=4 1766 B13R1.139 COC(=O)c1ccc(nc1)OCF 0a7f8bd089758882d20fd090ade6f639 [0,2,0,0,0,0|2,0,0]=4 1767 B13R1.139 O=C(CBr)c1ccc(cc1)NCF 02d17087a8c9d32835cf0d47dca2862b [0,2,0,0,0,0|2,0,0]=4 1768 B13R1.139 O=C(CBr)c1ccc(cc1)NCO 1a018b17483952b543472d353be9a150 [0,2,0,0,0,0|2,0,0]=4 1769 B13R1.139 O=C(CCl)c1ccc(cc1)NCF ff4f4714ce60ebdf261be95673aa7b83 [0,2,0,0,0,0|2,0,0]=4 1770 B13R1.139 O=C(CCl)c1ccc(cc1)NCO 5e5bbd239df91e2e61bea82c14f5b83c [0,2,0,0,0,0|2,0,0]=4 1771 B13R1.139 O=C(CF)c1ccc(cc1)OCF 47744e0bce1c4a38e0e9a811276945c3 [0,2,0,0,0,0|1,0,0]=3 1772 B13R1.139 O=C(NO)c1ccc(cc1)NCF 9d91ee4426a41b6c234033775dc00bb5 [0,2,0,0,0,0|2,0,0]=4 1773 B13R1.139 O=C(NO)c1ccc(cc1)NCO 5a839685023a43ca4a1c3a01372c0adf [0,2,0,0,0,0|2,0,0]=4 1774 B13R1.139 O=CC(=O)c1ccc(cc1)OCF 4993072541c46e86f1c3d6cbce41fcab [0,2,0,0,0,0|1,0,0]=3 1775 B13R1.139 O=CNc1ccc(cc1)C(=O)CBr 3fd457ac8c9dd82b4726d07e778e33d8 [0,2,0,0,0,0|2,0,0]=4 1776 B13R1.139 O=CNc1ccc(cc1)C(=O)CCl 479336bd518c5403482f80358593ad90 [0,2,0,0,0,0|2,0,0]=4 1777 B13R1.452 C#CCN(C)c1ccc(cc1)C=O ccac660af71eccfa66c0d9c530d44451 [0,2,0,0,0,0|1,0,1]=4 1778 B13R1.452 C=CCN(C)c1ccc(cc1)C=O ccc23bd724df05e1979da936a351bcd3 [0,2,0,0,0,0|1,0,1]=4 1779 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 0cd9191cb9a1385c8b0f6ef25a37a175 [0,2,0,0,0,0|2,0,0]=4 1780 B13R1.452 C=Cc1ccc(cc1)[C@H](C)NCC b0873884040b39bbbafbe4d524f5243f [0,2,0,0,0,0|2,0,0]=4 1781 B13R1.452 CC(OCF)c1ccc(cc1)C=O 487f62e83894318b3941bc3f2c1f7251 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.452 CCCN(C)c1ccc(cc1)C=O 95f7ddcf7ee59738eac1bb14a5f0fc97 [0,2,0,0,0,0|1,0,0]=3 1783 B13R1.452 CCCN(C)c1ccc(cn1)C=O b2a638f76203e5be0129769b64218684 [0,2,0,0,0,0|2,0,0]=4 1784 B13R1.452 CCCN(C)c1ccc(nc1)C=O c53cc105d799ed31efbb407a18a272c6 [0,2,0,0,0,0|2,0,0]=4 1785 B13R1.452 CCOC(C)c1ccc(cc1)C=O f141ed3ceb43c71abad924b5a0888a12 [0,2,0,0,0,0|0,0,0]=2 1786 B13R1.452 CCOC(C)c1ccc(cc1)CC 0d33c03219dfda06e5af4d3ca05e0c95 [0,2,0,0,0,0|1,0,1]=4 1787 B13R1.452 CCOC(C)c1ccc(cc1)OC 6815227232f6d62e2adb1f96631f2865 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.452 CCO[C@@H](C)c1ccc(cc1)OC bdcca3470d37aa2e7256815bdedf6a44 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.452 CCO[C@H](C)c1ccc(cc1)OC b3e6053607f0fd5e6a1b84492611236d [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.452 CN(CC#N)c1ccc(cc1)C=O 673d95cc993480db06c6e51b14cd3370 [0,2,0,0,0,0|1,0,1]=4 1791 B13R1.452 CN(CC=O)c1ccc(cc1)C=O 4b77eb96066eb94f3bc84981b689c9d9 [0,2,0,0,0,0|1,0,1]=4 1792 B13R1.452 CN(CCF)c1ccc(cc1)C=O 8cf392c949ca84ca031272bd66bc1c7e [0,2,0,0,0,0|1,0,0]=3 1793 B13R1.452 CN(CCF)c1ccc(cn1)C=O a9655990c08f2702a9917e7873cec78f [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.452 CN(CCF)c1ccc(nc1)C=O 50eb40f965d8229fe1ffff3730c0490d [0,2,0,0,0,0|2,0,0]=4 1795 B13R1.452 CN(CCO)c1ccc(cc1)C=O 9c96314f1c191c5e775b5f4eb84140ea [0,2,0,0,0,0|1,0,0]=3 1796 B13R1.452 CN(CCO)c1ccc(cn1)C=O 48a16d1b0c97ea0f39ee35e119374e72 [0,2,0,0,0,0|2,0,0]=4 1797 B13R1.452 CN(CCO)c1ccc(nc1)C=O a225c24960af16d42fed56b626c5bd7a [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.452 CN(CCS)c1ccc(cc1)C=O 67befcee12bc818f0918849da48ed7f1 [0,2,0,0,0,0|1,0,0]=3 1799 B13R1.452 CN(CCS)c1ccc(cn1)C=O 58c749d15397cab56c17c6bf5d7de890 [0,2,0,0,0,0|2,0,0]=4 1800 B13R1.452 COCN(C)c1ccc(cc1)C=O be2902ad9fc8f4b952a7f79a24627146 [0,2,0,0,0,0|1,0,0]=3 1801 B13R1.452 COCN(C)c1ccc(cn1)C=O df142a68469ab69e22add4a9399d52e9 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.452 CSCN(C)c1ccc(cc1)C=O e59cedc7a1c9503d10c43a72209ed1b1 [0,2,0,0,0,0|1,0,0]=3 1803 B13R1.452 CSCN(C)c1ccc(cn1)C=O 06fb919abadf03f11af067272d476d66 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.537 CC(=O)c1ccc(cc1)N(C)CF efb2648ef079afbb9b48bc70d2551b3c [0,2,0,0,0,0|2,0,0]=4 1805 B13R1.537 CC(=O)c1ccc(cc1)N(C)CO 5672554f1c5d29a42e173924a38ca34e [0,2,0,0,0,0|2,0,0]=4 1806 B13R1.537 CCN(C)c1ccc(cc1)C(=O)C 78ddd4c7fae1a16b1e2f19c51d9818c2 [0,2,0,0,0,0|1,0,0]=3 1807 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 21baacd2bde08ec83bd2b5f9f42d5e2f [0,2,0,0,0,0|1,0,0]=3 1808 B13R1.537 CCN(C)c1ccc(cc1)C(=S)N 501ff264f6a3982014ae15cd37cc8db5 [0,2,0,0,0,0|1,1,0]=4 1809 B13R1.537 CCN(C)c1ccc(cn1)C(=O)C 757f4ba1694bcc0250570cd4080b33da [0,2,0,0,0,0|2,0,0]=4 1810 B13R1.537 CCN(C)c1ccc(cn1)C(=O)N bca5312afbb61668b0ffac5d7be6847d [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.537 CCN(C)c1ccc(cn1)C(=O)O 22aa85ad68d4fb4ac9b18f2a821b3853 [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.537 CCN(C)c1ccc(nc1)C(=O)C 4231f20283769cf45bef52770431dbfc [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.537 CCN(C)c1ccc(nc1)C(=O)O 4e2ed161ba8295bef684bf7432848770 [0,2,0,0,0,0|2,0,0]=4 1814 B13R1.537 CN(CF)c1ccc(cc1)C(=O)O 27478041a2682924d0c652648e3d9ed0 [0,2,0,0,0,0|2,0,0]=4 1815 B13R1.537 CN(CO)c1ccc(cc1)C(=O)O 64a4f73086cfd6c6c1cf7acd3820c788 [0,2,0,0,0,0|2,0,0]=4 1816 B13R1.3088 C=Cc1ccc(cc1F)N(C)CC 7f8c81067bfd9bb24f5c22257f7a7d5f [0,2,0,0,0,0|2,0,0]=4 1817 B13R1.3 C#Cc1ccc(cc1)COC(C)C 0f6668dafcb66fc1759022ebe4e861e7 [0,2,0,0,0,0|1,0,1]=4 1818 B13R1.3 C#Cc1ccc(cc1)OCC(=C)C bcd88046be1bd4e33ed234f3e81e6aa1 [0,2,0,0,0,0|1,0,1]=4 1819 B13R1.3 C#Cc1ccc(cc1)OCC(C)C f85caf3e33cf6ef4f5f3f4a05623238d [0,2,0,0,0,0|1,0,1]=4 1820 B13R1.3 C#Cc1ccc(cc1)OCC(F)F 6ae1133402fdf7d27605369681dc7d8d [0,2,0,0,0,0|1,0,1]=4 1821 B13R1.3 C#Cc1ccc(cc1)OCN(C)C a75fda8f9992d004a7b0b8ad31b6856d [0,2,0,0,0,0|1,0,1]=4 1822 B13R1.3 C=C(Br)CNc1ccc(cc1)C=O ce62023a751bbba618fb4d67b84079a2 [0,2,0,0,0,0|1,0,1]=4 1823 B13R1.3 C=C(Br)COc1ccc(cc1)C=O 5d1573d940111f9eae673ec1d118f2f8 [0,2,0,0,0,0|0,0,1]=3 1824 B13R1.3 C=C(Br)COc1ccc(cc1)N=O 382e5765aed84d4f3873b4c86b2c02bd [0,2,0,0,0,0|1,0,1]=4 1825 B13R1.3 C=C(Br)COc1ccc(cn1)C=O cd0ee7045eb989db1613f8704ca92514 [0,2,0,0,0,0|1,0,1]=4 1826 B13R1.3 C=C(Br)COc1ccc(nc1)C=O 2865a266453b966e5f6a88326673774e [0,2,0,0,0,0|1,0,1]=4 1827 B13R1.3 C=C(C)CNc1ccc(cc1)C=O a22b7de44af4fa5bcf54e2061dd37a1e [0,2,0,0,0,0|1,0,0]=3 1828 B13R1.3 C=C(C)CNc1ccc(cn1)C=O 132aaad9d0e6275d0b7b543cd7a3eeab [0,2,0,0,0,0|2,0,0]=4 1829 B13R1.3 C=C(C)CNc1ccc(nc1)C=O ffce09741c5ee32025a316787c3a7bfe [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.3 C=C(C)COc1ccc(cc1)C#N f85cf42a23a69dfaa39943babb9dd1fb [0,2,0,0,0,0|1,0,1]=4 1831 B13R1.3 C=C(C)COc1ccc(cc1)C=O a8f77e8e55f752fa87059865bb9e4fde [0,2,0,0,0,0|0,0,0]=2 1832 B13R1.3 C=C(C)COc1ccc(cc1)CC ccb6aab4dd6e42622e4a5b17069608c9 [0,2,0,0,0,0|1,0,1]=4 1833 B13R1.3 C=C(C)COc1ccc(cc1)N=O 72dc36e02832f97b961b0cc05fd2e0e3 [0,2,0,0,0,0|1,0,0]=3 1834 B13R1.3 C=C(C)COc1ccc(cc1)OC 2671c7295ec5c8c545177d5fc6484439 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.3 C=C(C)COc1ccc(cc1)SC 61e052b8a7d25353b223d1a50c2bd31b [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.3 C=C(C)COc1ccc(cn1)C=O ce269e25c2c500215419c003e0d307b3 [0,2,0,0,0,0|1,0,0]=3 1837 B13R1.3 C=C(C)COc1ccc(nc1)C=O 7544a6e0d52e5b0996f71a01369e4399 [0,2,0,0,0,0|1,0,0]=3 1838 B13R1.3 C=C(C)COc1ccc(nn1)C=O ca1557be3649eccbe135eda158b2f7f5 [0,2,0,0,0,0|2,0,0]=4 1839 B13R1.3 C=C(C)COc1ncc(cn1)C=O fa70811a5eb508f05515bd9499fd0df1 [0,2,0,0,0,0|2,0,0]=4 1840 B13R1.3 C=C(Cl)CNc1ccc(cc1)C=O 7879203e8d4d5adab5ec636762a7ff4e [0,2,0,0,0,0|1,0,1]=4 1841 B13R1.3 C=C(Cl)COc1ccc(cc1)C=O 9220aeb0ad1f427744bd781f95caf67c [0,2,0,0,0,0|0,0,1]=3 1842 B13R1.3 C=C(Cl)COc1ccc(cc1)N=O 49ab371fec45813fb96406a5ec7463db [0,2,0,0,0,0|1,0,1]=4 1843 B13R1.3 C=C(Cl)COc1ccc(cn1)C=O aa165c9dbd2a835a1e4b7fced705f79a [0,2,0,0,0,0|1,0,1]=4 1844 B13R1.3 C=C(Cl)COc1ccc(nc1)C=O 5af06b86231b75c66a978d7f758b4692 [0,2,0,0,0,0|1,0,1]=4 1845 B13R1.3 C=C(F)CNc1ccc(cc1)C=O cbd08d1c3b9ffd768ba22438308b8427 [0,2,0,0,0,0|1,0,1]=4 1846 B13R1.3 C=C(F)COc1ccc(cc1)C=O 659f746fbcbff081f35f57758de0c0f2 [0,2,0,0,0,0|0,0,1]=3 1847 B13R1.3 C=C(F)COc1ccc(cc1)N=O a3c862266c4ca27664b5ef0643fa51de [0,2,0,0,0,0|1,0,1]=4 1848 B13R1.3 C=C(F)COc1ccc(cn1)C=O 75e2e0c3388e54c74a082aa557b07e67 [0,2,0,0,0,0|1,0,1]=4 1849 B13R1.3 C=C(F)COc1ccc(nc1)C=O 74633ffc6bb93834653454ab70c9391d [0,2,0,0,0,0|1,0,1]=4 1850 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 36156cd70321a67f6dce4d9b7bffeb2a [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.3 C=Cc1ccc(cc1)COC(C)C 85e2bb35b140ef4f8f0a4b73296ad60d [0,2,0,0,0,0|1,0,0]=3 1852 B13R1.3 C=Cc1ccc(cc1)NCC(=C)C dafe9942f3608315941f554212235ce9 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.3 C=Cc1ccc(cc1)NCC(=O)C 7dab80f01efc36646e2309a32a27fd16 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 781e5a171ff9a20d32354270e0f893e0 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 48475e864f8b806c58394d44235ec5f9 [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.3 C=Cc1ccc(cc1)NCC(F)F 54edc31fa48de90e63c4d279b3b26a8e [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.3 C=Cc1ccc(cc1)NCN(C)C 174b00aa0513b8686739e634c8ab229c [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O a4196b6fc4dcb707318418df43eab182 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.3 C=Cc1ccc(cc1)NC[C@H](C)O 2d2ae657ba5268e92234ee416a668161 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.3 C=Cc1ccc(cc1)OCC(=C)Br bbab6101934ae5514cb853a9727e9282 [0,2,0,0,0,0|1,0,1]=4 1861 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 19f234d64821c3cd506578aa141c8950 [0,2,0,0,0,0|1,0,0]=3 1862 B13R1.3 C=Cc1ccc(cc1)OCC(=C)Cl f929fc1d026e86b9fc663b0178a6ce76 [0,2,0,0,0,0|1,0,1]=4 1863 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F c6c60669eaa23e946c39bf40f5a4c7a5 [0,2,0,0,0,0|1,0,1]=4 1864 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N bf0eff263e4439b524f75d6a90f2fcf1 [0,2,0,0,0,0|1,0,1]=4 1865 B13R1.3 C=Cc1ccc(cc1)OCC(=O)O 7e82b768847f31eafb04946ab51e7271 [0,2,0,0,0,0|1,0,1]=4 1866 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34986f0447a1d8df589cdb05ca8dd96f [0,2,0,0,0,0|1,0,0]=3 1867 B13R1.3 C=Cc1ccc(cc1)OCC(F)F 9a813356d560f26817beda4cb90504ce [0,2,0,0,0,0|1,0,0]=3 1868 B13R1.3 C=Cc1ccc(cc1)OCN(C)C 69e17057fc35b1a4666d7a7e9eb4ed20 [0,2,0,0,0,0|1,0,0]=3 1869 B13R1.3 C=Cc1ccc(cc1)OC[N+](=O)[O-] c6ae10768ddfbd883fca57385e705b25 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.3 CC(=O)CNc1ccc(cc1)C=O 7fdbfbdf5c7ce499127ea1f1399a425a [0,2,0,0,0,0|1,0,0]=3 1871 B13R1.3 CC(=O)CNc1ccc(cn1)C=O f20a3a13062b083b1cba0fab73ab8d5a [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.3 CC(=O)CNc1ccc(nc1)C=O f6e2bc2f4df73d403d7473451db76580 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.3 CC(C)CNc1ccc(cc1)C=O 53d7bacb8b11cdad75957b6e67532b07 [0,2,0,0,0,0|1,0,0]=3 1874 B13R1.3 CC(C)CNc1ccc(cn1)C=O 9feb6227bf72eccf43e8d233da0e7556 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.3 CC(C)CNc1ccc(nc1)C=O 2e7a997b6dbbc8ec24a3fa42e7b64baf [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.3 CC(C)COc1ccc(cc1)C#N 4fe0bacc21bc3eb30ffa7dd21031ffa4 [0,2,0,0,0,0|1,0,1]=4 1877 B13R1.3 CC(C)COc1ccc(cc1)C=O 8198abae2efc6ea28144bbd6f6f4c2b6 [0,2,0,0,0,0|0,0,0]=2 1878 B13R1.3 CC(C)COc1ccc(cc1)N=O d4a06c8ac17441d5e97c0940348f1721 [0,2,0,0,0,0|1,0,0]=3 1879 B13R1.3 CC(C)COc1ccc(cn1)C=O 7daed07df10a03faf2c643da1ec0fe02 [0,2,0,0,0,0|1,0,0]=3 1880 B13R1.3 CC(C)COc1ccc(nc1)C=O 91745a261bbcba61045c5c0c84882fb8 [0,2,0,0,0,0|1,0,0]=3 1881 B13R1.3 CC(C)COc1ccc(nn1)C=O 86e62f1b0ba2f87a15828a09a3a1355f [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.3 CC(C)COc1ncc(cn1)C=O a611f7ae7a1bf856a31f615554b1157d [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.3 CC(C)OCc1ccc(cc1)C#N 8e5521a00da548fbeeadb0403744d151 [0,2,0,0,0,0|1,0,1]=4 1884 B13R1.3 CC(C)OCc1ccc(cc1)C=O 3dc828b0457d8cfec1ad59575e96f3a7 [0,2,0,0,0,0|0,0,0]=2 1885 B13R1.3 CC(C)OCc1ccc(nc1)C=O 5fef3d586cff95adced2df1066476b60 [0,2,0,0,0,0|1,0,0]=3 1886 B13R1.3 CC(C)OCc1cnc(nc1)C=O 30fdac26118718a5b47e28e40bda552e [0,2,0,0,0,0|2,0,0]=4 1887 B13R1.3 CC(C)OCc1ncc(cn1)C=O e76284c20ee8793f6d1b4869eb5cb872 [0,2,0,0,0,0|2,0,0]=4 1888 B13R1.3 CC(O)CNc1ccc(cc1)C=O 69f54016a0f9320b809f4e403c041bb2 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.3 CC(O)CNc1ccc(cn1)C=O 5b8a6d9c3dab669b626c9c5199aff537 [0,2,0,0,0,0|2,0,0]=4 1890 B13R1.3 CC(O)CNc1ccc(nc1)C=O 452deb1e8700c5ad1ad40b5aa7bdbbb8 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.3 CCc1ccc(cc1)COC(C)C 827f94870fd24c10258aa66fde5c5351 [0,2,0,0,0,0|1,0,1]=4 1892 B13R1.3 CCc1ccc(cc1)OCC(C)C f97007c9dd123abfb4a58b8449aebe77 [0,2,0,0,0,0|1,0,1]=4 1893 B13R1.3 CCc1ccc(cc1)OCC(F)F 31dd3bc996c56a14a62955bad3b02d06 [0,2,0,0,0,0|1,0,1]=4 1894 B13R1.3 CCc1ccc(cc1)OCN(C)C d8d48901da69959a1d55fd66bf415a31 [0,2,0,0,0,0|1,0,1]=4 1895 B13R1.3 CN(C)CNc1ccc(cc1)C=O 961958870d050cbfb59df2ea73a97c72 [0,2,0,0,0,0|1,0,0]=3 1896 B13R1.3 CN(C)CNc1ccc(cn1)C=O 9d7f577672734bee421fd35e1c5ee3a4 [0,2,0,0,0,0|2,0,0]=4 1897 B13R1.3 CN(C)CNc1ccc(nc1)C=O 5b395056ba11de9a56363c7a5d2309e3 [0,2,0,0,0,0|2,0,0]=4 1898 B13R1.3 CN(C)COc1ccc(cc1)C#N e66a1536e097631f3743e99ce9ff0471 [0,2,0,0,0,0|1,0,1]=4 1899 B13R1.3 CN(C)COc1ccc(cc1)C=O 5b9388795f8bcd7e0d29bb49eccd3b4c [0,2,0,0,0,0|0,0,0]=2 1900 B13R1.3 CN(C)COc1ccc(cc1)N=O 1cdaabcdd7d86d3a759d513e1bc78743 [0,2,0,0,0,0|1,0,0]=3 1901 B13R1.3 CN(C)COc1ccc(cn1)C=O 86914f223495776ae8d78d0ab982904b [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.3 CN(C)COc1ccc(nc1)C=O 3e468355a6eaf324459abdcf7373864a [0,2,0,0,0,0|1,0,0]=3 1903 B13R1.3 CN(C)COc1ccc(nn1)C=O c1fce20e356a27095c9350d232712ff7 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.3 CN(C)COc1ncc(cn1)C=O e827822d3b23e90e41a708d9def3023e [0,2,0,0,0,0|2,0,0]=4 1905 B13R1.3 COc1ccc(cc1)COC(C)C 544cb0beac466d1fe5b9a011f927534f [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.3 COc1ccc(cc1)OCC(C)C 702223f0df1fa37a2ba27c84ba97d5c6 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.3 COc1ccc(cc1)OCC(F)F 265f5ad3253b62a2e852c4960d97a149 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.3 COc1ccc(cc1)OCN(C)C aa4925969b79c22f87c684885517e82c [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.3 CSc1ccc(cc1)COC(C)C 3edb920351d9bedc07b37dfcc2842c1e [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.3 CSc1ccc(cc1)OCC(C)C 214d475302763d1a9483c75a9a786470 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.3 CSc1ccc(cc1)OCC(F)F bad6ad31ae40ddb11d69dfe6cd7bb3e3 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.3 CSc1ccc(cc1)OCN(C)C 5f3233e561fc6951fe7d87295eb44a73 [0,2,0,0,0,0|2,0,0]=4 1913 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C=O f7c74193d876da0824b587bf4dfa26ea [0,2,0,0,0,0|1,0,0]=3 1914 B13R1.3 C[C@@H](O)CNc1ccc(cn1)C=O fb5517809a6d680143c0fa0b12782eff [0,2,0,0,0,0|2,0,0]=4 1915 B13R1.3 C[C@@H](O)CNc1ccc(nc1)C=O 8ad76e9891be8083981277d7e0c63c7d [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.3 C[C@H](O)CNc1ccc(cc1)C=O f75111789d576b9b2a297e94bf155039 [0,2,0,0,0,0|1,0,0]=3 1917 B13R1.3 C[C@H](O)CNc1ccc(cn1)C=O b61d90670d4a73b54ae0b400f1a2c1cd [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.3 C[C@H](O)CNc1ccc(nc1)C=O 57bcf8e895a27d0efbd565cf901abc75 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.3 N#Cc1ccc(cc1)OCC(F)F 8387ed9ad5cb35a078ea635973984779 [0,2,0,0,0,0|1,0,1]=4 1920 B13R1.3 NC(=O)CNc1ccc(cc1)C=O 4cde728204f3292f91242ac6df1a5679 [0,2,0,0,0,0|1,0,1]=4 1921 B13R1.3 NC(=O)COc1ccc(cc1)C=O 8bdb8ed4190be5dff3b8d185cfa784db [0,2,0,0,0,0|0,0,1]=3 1922 B13R1.3 NC(=O)COc1ccc(cc1)N=O ead256b7a875a390aa834ecb4cb6164d [0,2,0,0,0,0|1,0,1]=4 1923 B13R1.3 NC(=O)COc1ccc(cn1)C=O 3dd0dbb41312631924e4b626f476e4b5 [0,2,0,0,0,0|1,0,1]=4 1924 B13R1.3 NC(=O)COc1ccc(nc1)C=O 0d193b3a704c3b60edd6d87efb90371e [0,2,0,0,0,0|1,0,1]=4 1925 B13R1.3 O=Cc1ccc(cc1)NCC(=O)O 4279b8ff5d5952db5447c26f981923e4 [0,2,0,0,0,0|1,0,1]=4 1926 B13R1.3 O=Cc1ccc(cc1)NCC(F)F 83f732496348a05575f6e0470d6e4b1b [0,2,0,0,0,0|1,0,0]=3 1927 B13R1.3 O=Cc1ccc(cc1)NC[N+](=O)[O-] f2d12a327f326366f1bcf95ea52a652f [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.3 O=Cc1ccc(cc1)OCC(=O)O 16b2f54432fa9a72e52778432904c158 [0,2,0,0,0,0|0,0,1]=3 1929 B13R1.3 O=Cc1ccc(cc1)OCC(F)F 87e1af9305701fe81beef43869c4353b [0,2,0,0,0,0|0,0,0]=2 1930 B13R1.3 O=Cc1ccc(cc1)OC[N+](=O)[O-] 189794d70a0ebd8deb38d63ab883c34c [0,2,0,0,0,0|1,0,0]=3 1931 B13R1.3 O=Cc1ccc(cn1)NCC(F)F 6f964ce0fd6ddcae9cbfad7d614fa189 [0,2,0,0,0,0|2,0,0]=4 1932 B13R1.3 O=Cc1ccc(cn1)OCC(=O)O 19c56a0761f0cf65a62e66a9614c3ae1 [0,2,0,0,0,0|1,0,1]=4 1933 B13R1.3 O=Cc1ccc(cn1)OCC(F)F ff1d8cfda18a479e29e5229855001e5f [0,2,0,0,0,0|1,0,0]=3 1934 B13R1.3 O=Cc1ccc(cn1)OC[N+](=O)[O-] 92e8dc9b3bdddf078390667e0fc32259 [0,2,0,0,0,0|2,0,0]=4 1935 B13R1.3 O=Cc1ccc(nc1)NCC(F)F 9623b03134a6725cdf520be75b463746 [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.3 O=Cc1ccc(nc1)OCC(=O)O c1d60389b45d60010cf41b0a195f3077 [0,2,0,0,0,0|1,0,1]=4 1937 B13R1.3 O=Cc1ccc(nc1)OCC(F)F c3ae80d0b5d58d17970499aa698b94bc [0,2,0,0,0,0|1,0,0]=3 1938 B13R1.3 O=Cc1ccc(nc1)OC[N+](=O)[O-] a1a6594b1e2b2eebd6b7b771d7eab9ce [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.3 O=Cc1ccc(nn1)OCC(F)F 46afc2551509c0c5f12d348aebc1c3c0 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.3 O=Cc1cnc(nc1)OCC(F)F 52378344c93ba8c74f2cdb31f8429123 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.3 O=Nc1ccc(cc1)OCC(=O)O 3382d95c234091d75a5122370486b046 [0,2,0,0,0,0|1,0,1]=4 1942 B13R1.3 O=Nc1ccc(cc1)OCC(F)F 0ea90f43432d2005eecaa29837941642 [0,2,0,0,0,0|1,0,0]=3 1943 B13R1.3 O=Nc1ccc(cc1)OC[N+](=O)[O-] f7822e673b7ca98490962a51493ea564 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.74 C#CCNc1ccc(cc1)C(=O)C c13c546b7c65e5a768d45e504184f817 [0,2,0,0,0,0|1,0,1]=4 1945 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 942efe1498768d7d54b529892b3cf549 [0,2,0,0,0,0|1,0,1]=4 1946 B13R1.74 C#CCNc1ccc(cc1)C(=O)O 09d10bd7b55c1443c7c1470539c69a86 [0,2,0,0,0,0|1,0,1]=4 1947 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 1a45ecca8a7a04fa454701f147def67e [0,2,0,0,0,0|1,0,1]=4 1948 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 137961e935c93f8ca8a49d829e9b1faa [0,2,0,0,0,0|0,0,1]=3 1949 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 7876fa56f1994d06acaf1cb7ba9ebc98 [0,2,0,0,0,0|0,0,1]=3 1950 B13R1.74 C#CCOc1ccc(cc1)C(=O)O 0208ab3efe4431f02ea2fe9bfe513324 [0,2,0,0,0,0|0,0,1]=3 1951 B13R1.74 C#CCOc1ccc(cc1)C(=S)N a27299c194d6ac63bb36f40d4a703b43 [0,2,0,0,0,0|0,1,1]=4 1952 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 4dea02d921a2c79cff838c8105b21ea3 [0,2,0,0,0,0|1,0,1]=4 1953 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] f04bd548911ea1b0a339ca05b6a2681e [0,2,0,0,0,0|1,0,1]=4 1954 B13R1.74 C#CCOc1ccc(cn1)C(=O)C 10ec8866862e7063cb1efcc6e06e964c [0,2,0,0,0,0|1,0,1]=4 1955 B13R1.74 C#CCOc1ccc(cn1)C(=O)N e7fc9caeac5039686663155ce2358c4d [0,2,0,0,0,0|1,0,1]=4 1956 B13R1.74 C#CCOc1ccc(cn1)C(=O)O 69bd13edd6bdfed3104c87ef13555630 [0,2,0,0,0,0|1,0,1]=4 1957 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 3af74e25a7423ffe0182bfcc73c7fa7b [0,2,0,0,0,0|1,0,1]=4 1958 B13R1.74 C#CCOc1ccc(nc1)C(=O)N 55b07967c7af56954bf08912b7af4bb2 [0,2,0,0,0,0|1,0,1]=4 1959 B13R1.74 C#CCOc1ccc(nc1)C(=O)O c63e9927a0cdcc15cdc7675d4fc7ea47 [0,2,0,0,0,0|1,0,1]=4 1960 B13R1.74 C=C(C)c1ccc(cc1)NCCC 6684ff007ab9589e4665afa6c7df4ab1 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.74 C=C(C)c1ccc(cc1)NCCO 746565fbe8e85f9b50441872d2bcc065 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.74 C=C(C)c1ccc(cc1)NCCS 12be0229e96f9eab129f916420676f30 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 43e55bd4427a25f2cd68c5d6fc4e4471 [0,2,0,0,0,0|1,0,1]=4 1964 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 30e2945ff8be6ac394d4f2fadbf09cee [0,2,0,0,0,0|1,0,1]=4 1965 B13R1.74 C=C(C)c1ccc(cc1)OCCC e4ca3973b4e87d52f366a8116b0e2436 [0,2,0,0,0,0|1,0,0]=3 1966 B13R1.74 C=C(C)c1ccc(cc1)OCCF d21ca946a99cb88fbacefbef36e80283 [0,2,0,0,0,0|1,0,0]=3 1967 B13R1.74 C=C(C)c1ccc(cc1)OCCS a8aa5d9e896bbf05acd4d0725c16c7a4 [0,2,0,0,0,0|1,0,0]=3 1968 B13R1.74 C=C(C)c1ccc(cc1)OCOC 825a08b964a011a21d79b938dfd009d1 [0,2,0,0,0,0|1,0,0]=3 1969 B13R1.74 C=C(C)c1ccc(cc1)OCSC b606baf253796536d02a1f431ed182be [0,2,0,0,0,0|1,0,0]=3 1970 B13R1.74 C=C(F)c1ccc(cc1)NCCS 7294f9cd434b3e6e824755aab559e61b [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.74 C=CCNc1ccc(cc1)C(=O)C 786c58a768661ad0442dbb398a0bbf6e [0,2,0,0,0,0|1,0,1]=4 1972 B13R1.74 C=CCNc1ccc(cc1)C(=O)N cd28a125319d0c0e6467fcb3508de40c [0,2,0,0,0,0|1,0,1]=4 1973 B13R1.74 C=CCNc1ccc(cc1)C(=O)O 4444d141526e87f45a80cbe1338e28a7 [0,2,0,0,0,0|1,0,1]=4 1974 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 52e26c76ba8ccc41718690a2236e8e6f [0,2,0,0,0,0|1,0,1]=4 1975 B13R1.74 C=CCOc1ccc(cc1)C(=O)C d7c3bd4d4333f1640552b049f4c819eb [0,2,0,0,0,0|0,0,1]=3 1976 B13R1.74 C=CCOc1ccc(cc1)C(=O)N d64d761b692408dda6636a2f1451abc6 [0,2,0,0,0,0|0,0,1]=3 1977 B13R1.74 C=CCOc1ccc(cc1)C(=O)O acfba42069c811f73a7624e62352d590 [0,2,0,0,0,0|0,0,1]=3 1978 B13R1.74 C=CCOc1ccc(cc1)C(=S)N f5bcd671dfb3b1838a0be6583a0bd52c [0,2,0,0,0,0|0,1,1]=4 1979 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 89ff8539cc722cc0cabcb4f24798b191 [0,2,0,0,0,0|1,0,1]=4 1980 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 981345b0a4450fa30e98f432f352b619 [0,2,0,0,0,0|1,0,1]=4 1981 B13R1.74 C=CCOc1ccc(cn1)C(=O)C 74debfd94d528e578321ec79ae5151b5 [0,2,0,0,0,0|1,0,1]=4 1982 B13R1.74 C=CCOc1ccc(cn1)C(=O)N e2a4d74d296554104bb6433f6f7f76c1 [0,2,0,0,0,0|1,0,1]=4 1983 B13R1.74 C=CCOc1ccc(cn1)C(=O)O cd98f38943278ef345d303e846c00537 [0,2,0,0,0,0|1,0,1]=4 1984 B13R1.74 C=CCOc1ccc(nc1)C(=O)C cc4d0948a19390a4f7c6cffb3160d7ae [0,2,0,0,0,0|1,0,1]=4 1985 B13R1.74 C=CCOc1ccc(nc1)C(=O)N ff4684ffff085daca4f84582485f31d1 [0,2,0,0,0,0|1,0,1]=4 1986 B13R1.74 C=CCOc1ccc(nc1)C(=O)O fe9f77d3c93810c83573985c8f4b13f6 [0,2,0,0,0,0|1,0,1]=4 1987 B13R1.74 CC(=O)c1ccc(cc1)CNCF 5e30e3a8d29971dd68336c1ab0b13bee [0,2,0,0,0,0|2,0,0]=4 1988 B13R1.74 CC(=O)c1ccc(cc1)CNCO eb49656758941d4d0cee2310b5dba6a3 [0,2,0,0,0,0|2,0,0]=4 1989 B13R1.74 CC(=O)c1ccc(cc1)COCF e41d6fc38f587d02c1023fea92505d15 [0,2,0,0,0,0|1,0,0]=3 1990 B13R1.74 CC(=O)c1ccc(cc1)NCC#N d442bf6262072f4cb5c2afe35895a341 [0,2,0,0,0,0|1,0,1]=4 1991 B13R1.74 CC(=O)c1ccc(cc1)NCC=O 9a08798a831a85e08adb375f9450ad17 [0,2,0,0,0,0|1,0,1]=4 1992 B13R1.74 CC(=O)c1ccc(cc1)NCCBr 74067c63759f8a0d78814af42e8418ca [0,2,0,0,0,0|1,0,0]=3 1993 B13R1.74 CC(=O)c1ccc(cc1)NCCF a7de61881c3e14e4d08de90e96ad0522 [0,2,0,0,0,0|1,0,0]=3 1994 B13R1.74 CC(=O)c1ccc(cc1)NCCI cf549424c8721f33eba0b70b04102859 [0,2,0,0,0,0|1,0,0]=3 1995 B13R1.74 CC(=O)c1ccc(cc1)NCCO eb72d3f4d8e76f85277f46262dfeb510 [0,2,0,0,0,0|1,0,0]=3 1996 B13R1.74 CC(=O)c1ccc(cc1)NCCS 195a1aec0c157b898c2b0a7062fc9b2b [0,2,0,0,0,0|1,0,0]=3 1997 B13R1.74 CC(=O)c1ccc(cc1)OCC#N f8d120128e670b91c8173c3df18d9ce9 [0,2,0,0,0,0|0,0,1]=3 1998 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 64f6c4a4ae4e15adc4f9791f4a0f8c05 [0,2,0,0,0,0|0,0,1]=3 1999 B13R1.74 CC(=O)c1ccc(cc1)OCCF a38094576ca24a239a6a43065a00c8a1 [0,2,0,0,0,0|0,0,0]=2 2000 B13R1.74 CC(=O)c1ccc(cc1)OCCS 8d76ecb6864298fddbf1204faea6e67a [0,2,0,0,0,0|0,0,0]=2 2001 B13R1.74 CC(=O)c1ccc(cn1)NCCBr 12ebaa3af7e7a5cab6b5233f3b7b8047 [0,2,0,0,0,0|2,0,0]=4 2002 B13R1.74 CC(=O)c1ccc(cn1)NCCF 324e53b11ea43e53fdcb69f0d3365904 [0,2,0,0,0,0|2,0,0]=4 2003 B13R1.74 CC(=O)c1ccc(cn1)NCCI b36256e141a110a3dc40536527e76814 [0,2,0,0,0,0|2,0,0]=4 2004 B13R1.74 CC(=O)c1ccc(cn1)NCCO 58e4d7019d4b92388ab47a6f815f3ca8 [0,2,0,0,0,0|2,0,0]=4 2005 B13R1.74 CC(=O)c1ccc(cn1)NCCS 331887917aa6499af83ecf0a6cf9a210 [0,2,0,0,0,0|2,0,0]=4 2006 B13R1.74 CC(=O)c1ccc(cn1)OCC#N 09d4d691ec8c8d26c308bc6f6403fc9f [0,2,0,0,0,0|1,0,1]=4 2007 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 97ad3546d082788e52957cf4486f58e6 [0,2,0,0,0,0|1,0,1]=4 2008 B13R1.74 CC(=O)c1ccc(cn1)OCCF 55b84add2e67729a83f66094fb2da080 [0,2,0,0,0,0|1,0,0]=3 2009 B13R1.74 CC(=O)c1ccc(cn1)OCCS 7440044767e7e4ba44acad6d5ebedc8f [0,2,0,0,0,0|1,0,0]=3 2010 B13R1.74 CC(=O)c1ccc(nc1)NCCBr 65a4e8756a2bf111cc8d62f256e661df [0,2,0,0,0,0|2,0,0]=4 2011 B13R1.74 CC(=O)c1ccc(nc1)NCCF 9dfaf3a3a61fcd3d2cd3d072a8f26bd2 [0,2,0,0,0,0|2,0,0]=4 2012 B13R1.74 CC(=O)c1ccc(nc1)NCCI 6a84fca9d3a90c1a9b0f394d240baf0f [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.74 CC(=O)c1ccc(nc1)NCCO 3ecb7f983e891e54b1c56026796e9d65 [0,2,0,0,0,0|2,0,0]=4 2014 B13R1.74 CC(=O)c1ccc(nc1)NCCS a6b8670be5ecd2166ac39147a9745e1e [0,2,0,0,0,0|2,0,0]=4 2015 B13R1.74 CC(=O)c1ccc(nc1)OCC#N d75b550843de131c601c3e729d2b3471 [0,2,0,0,0,0|1,0,1]=4 2016 B13R1.74 CC(=O)c1ccc(nc1)OCC=O 8c6ab06725bb99448ca78e3775d7a7e6 [0,2,0,0,0,0|1,0,1]=4 2017 B13R1.74 CC(=O)c1ccc(nc1)OCCF 2a8bc7427b7fef7c2e107cf2512bd222 [0,2,0,0,0,0|1,0,0]=3 2018 B13R1.74 CC(=O)c1ccc(nc1)OCCS c8a8adbcdac10e9ee5e75c9ddeea2a7a [0,2,0,0,0,0|1,0,0]=3 2019 B13R1.74 CC(=O)c1cnc(cn1)OCCF 8232e8be7b1b288d84c55ad50e6ae9d3 [0,2,0,0,0,0|2,0,0]=4 2020 B13R1.74 CC(=O)c1cnc(cn1)OCCS c3df0dfea16027d9843f8ea10912eaee [0,2,0,0,0,0|2,0,0]=4 2021 B13R1.74 CC(=O)c1cnc(nc1)OCCF 7d69ad6e68a34ecdd6ce77dfd8e5e8e7 [0,2,0,0,0,0|2,0,0]=4 2022 B13R1.74 CC(=O)c1cnc(nc1)OCCS 33ba4fc9238f10d8d08bb55aa09f1b0d [0,2,0,0,0,0|2,0,0]=4 2023 B13R1.74 CC(C)c1ccc(cc1)OCCF 72cb1f735387895734d6fc9a2f36b2a7 [0,2,0,0,0,0|1,0,1]=4 2024 B13R1.74 CC(C)c1ccc(cc1)OCCS 1bb2efaef61ab3d76d9f18c04535d735 [0,2,0,0,0,0|1,0,1]=4 2025 B13R1.74 CCCNc1ccc(cc1)C(=O)C 39413f4bd6a6db1cd248539f1edbe892 [0,2,0,0,0,0|1,0,0]=3 2026 B13R1.74 CCCNc1ccc(cc1)C(=O)F 7d154912fb6bc5cedf59dea75b9cc215 [0,2,0,0,0,0|1,0,0]=3 2027 B13R1.74 CCCNc1ccc(cc1)C(=O)N 5a65257390655fcc38ef55db6c0f96db [0,2,0,0,0,0|1,0,0]=3 2028 B13R1.74 CCCNc1ccc(cc1)C(=O)O 868a160865f470bb9b5f7bc714336ce9 [0,2,0,0,0,0|1,0,0]=3 2029 B13R1.74 CCCNc1ccc(cc1)C(=S)N 4bce50e61d91b541d18eb03d6da00dc8 [0,2,0,0,0,0|1,1,0]=4 2030 B13R1.74 CCCNc1ccc(cc1)C(=S)S e26d40707735a93b88e197407d3ddc8d [0,2,0,0,0,0|1,1,0]=4 2031 B13R1.74 CCCNc1ccc(cc1)S(=O)C ad24d422c67b05a7416bd49eede7a64e [0,2,0,0,0,0|2,0,0]=4 2032 B13R1.74 CCCNc1ccc(cc1)S(=O)O 91685979604ce115573faa461683a3f3 [0,2,0,0,0,0|2,0,0]=4 2033 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 0b7acd12bc0c4479061504370fe2f604 [0,2,0,0,0,0|2,0,0]=4 2034 B13R1.74 CCCNc1ccc(cn1)C(=O)C 32879ba82a31519132c027be2ef23997 [0,2,0,0,0,0|2,0,0]=4 2035 B13R1.74 CCCNc1ccc(cn1)C(=O)N 921bc94963ff5d2750a5fd3e4522fcff [0,2,0,0,0,0|2,0,0]=4 2036 B13R1.74 CCCNc1ccc(cn1)C(=O)O 834a435a4034a52a3843d05cf5440a93 [0,2,0,0,0,0|2,0,0]=4 2037 B13R1.74 CCCNc1ccc(nc1)C(=O)C 72767a3d22e28c35891b78da97103d1a [0,2,0,0,0,0|2,0,0]=4 2038 B13R1.74 CCCNc1ccc(nc1)C(=O)N 0175d544b334daba315a80777ecd540a [0,2,0,0,0,0|2,0,0]=4 2039 B13R1.74 CCCNc1ccc(nc1)C(=O)O 1fcbcb384f67751ed0f30723609d89c7 [0,2,0,0,0,0|2,0,0]=4 2040 B13R1.74 CCCOc1ccc(cc1)C(=O)C ddacf903b5cf7b48b602ba0d6d5aa87b [0,2,0,0,0,0|0,0,0]=2 2041 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7ef5350bd5ce46f6e6f4ca1eb42002dc [0,2,0,0,0,0|0,0,0]=2 2042 B13R1.74 CCCOc1ccc(cc1)C(=O)O e68121feee9f21b9af7589846e85cba4 [0,2,0,0,0,0|0,0,0]=2 2043 B13R1.74 CCCOc1ccc(cc1)C(=S)N 7c3e6bfde24f4b7565bcff482b15f9a1 [0,2,0,0,0,0|0,1,0]=3 2044 B13R1.74 CCCOc1ccc(cc1)C(C)C f728ec32cf4795dcc158b2fe7644b8a9 [0,2,0,0,0,0|1,0,1]=4 2045 B13R1.74 CCCOc1ccc(cc1)N(C)C 7baa85390e8accc4447fa60f7e0f7f19 [0,2,0,0,0,0|2,0,0]=4 2046 B13R1.74 CCCOc1ccc(cc1)S(=O)C e2bbd4b5eb19330ad7bade155c58f94e [0,2,0,0,0,0|1,0,0]=3 2047 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] c15fa818f2169c6dc913334464cb111e [0,2,0,0,0,0|1,0,0]=3 2048 B13R1.74 CCCOc1ccc(cn1)C(=O)C c5504020ec11fbfd1f17cf2f8f2dcc0d [0,2,0,0,0,0|1,0,0]=3 2049 B13R1.74 CCCOc1ccc(cn1)C(=O)N 83699a8fc6811251c25029edccfbb96a [0,2,0,0,0,0|1,0,0]=3 2050 B13R1.74 CCCOc1ccc(cn1)C(=O)O a471e0b5fc784e4778faab75beb8b74e [0,2,0,0,0,0|1,0,0]=3 2051 B13R1.74 CCCOc1ccc(cn1)C(=S)N 82990b0be2b104276ea33ed18fd6c80e [0,2,0,0,0,0|1,1,0]=4 2052 B13R1.74 CCCOc1ccc(nc1)C(=O)C e0248a4c74241339890e782152125824 [0,2,0,0,0,0|1,0,0]=3 2053 B13R1.74 CCCOc1ccc(nc1)C(=O)N ed4783d4bd05f5fffabc8fdf0bc45b99 [0,2,0,0,0,0|1,0,0]=3 2054 B13R1.74 CCCOc1ccc(nc1)C(=O)O 1b24109321d46a44254966098df2617d [0,2,0,0,0,0|1,0,0]=3 2055 B13R1.74 CCCOc1ccc(nc1)[N+](=O)[O-] f0c324589434484aea8172e2c059bcb1 [0,2,0,0,0,0|2,0,0]=4 2056 B13R1.74 CCCOc1cnc(cn1)C(=O)C 4509296d57d862c19c2088e8bdfad944 [0,2,0,0,0,0|2,0,0]=4 2057 B13R1.74 CCCOc1cnc(cn1)C(=O)N 2c810c51b0fcd3f2158f79140a20d30e [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.74 CCCOc1cnc(cn1)C(=O)O d16f1a9066db20725ccc69875796c089 [0,2,0,0,0,0|2,0,0]=4 2059 B13R1.74 CCCOc1cnc(nc1)C(=O)O 5246b80bf5fda58bd593e7d8ac352d77 [0,2,0,0,0,0|2,0,0]=4 2060 B13R1.74 CCCOc1ncc(cn1)C(=O)C db8f7a098e4e46c6012ebd9e3dfa1bc4 [0,2,0,0,0,0|2,0,0]=4 2061 B13R1.74 CCCOc1ncc(cn1)C(=O)N ea8193429c99f13cfb056acee0895836 [0,2,0,0,0,0|2,0,0]=4 2062 B13R1.74 CCCOc1ncc(cn1)C(=O)O 90d01e92c7d99d8d1279da8fc7f3b8be [0,2,0,0,0,0|2,0,0]=4 2063 B13R1.74 CCNCc1ccc(cc1)C(=O)C 1b713442669e77b96d93391a7dd9da4a [0,2,0,0,0,0|1,0,0]=3 2064 B13R1.74 CCNCc1ccc(cc1)C(=O)N bf6f8577b2ee97f271047f4351ed2302 [0,2,0,0,0,0|1,0,0]=3 2065 B13R1.74 CCNCc1ccc(cc1)C(=O)O 3d4e00a10787ded655df67774d9e0747 [0,2,0,0,0,0|1,0,0]=3 2066 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 76797adb7c0d5578e5a724d1256fb678 [0,2,0,0,0,0|2,0,0]=4 2067 B13R1.74 CCNCc1ccc(cn1)C(=O)O d010b979e8278e269d8fcf1f5a0ca8b0 [0,2,0,0,0,0|2,0,0]=4 2068 B13R1.74 CCNCc1ccc(nc1)C(=O)N 7dff9a113c942752b8e42c4ad5c0415c [0,2,0,0,0,0|2,0,0]=4 2069 B13R1.74 CCNCc1ccc(nc1)C(=O)O 21bfa9916b7d5d7ccb946d1687073769 [0,2,0,0,0,0|2,0,0]=4 2070 B13R1.74 CCOCc1ccc(cc1)C(=O)C 1d0889c2f8ff6e19a8ebb26c399db3c8 [0,2,0,0,0,0|0,0,0]=2 2071 B13R1.74 CCOCc1ccc(cc1)C(=O)N 1b434b3ec31c8fc4b24f847c0378a1fb [0,2,0,0,0,0|0,0,0]=2 2072 B13R1.74 CCOCc1ccc(cc1)C(=O)O 22c7a37e8096d83bc2261f3fc9014a61 [0,2,0,0,0,0|0,0,0]=2 2073 B13R1.74 CCOCc1ccc(cc1)C(C)C 747ef3d1399927eed4934abfa9f177f1 [0,2,0,0,0,0|1,0,1]=4 2074 B13R1.74 CCOCc1ccc(cc1)C(F)F 166de6d876f8c325fe168fd9f3847ec7 [0,2,0,0,0,0|1,0,1]=4 2075 B13R1.74 CCOCc1ccc(cc1)N(C)C d62d54f7ff4b97e30a830c3b192113ec [0,2,0,0,0,0|2,0,0]=4 2076 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] a4d149afcf1be672ed94a93b58fbe514 [0,2,0,0,0,0|1,0,0]=3 2077 B13R1.74 CCOCc1ccc(cn1)C(=O)N ffad13a27768902d3e36a767a0f3a1fb [0,2,0,0,0,0|1,0,0]=3 2078 B13R1.74 CCOCc1ccc(cn1)C(=O)O eaf860f65b46016f05f7c538bf264c0f [0,2,0,0,0,0|1,0,0]=3 2079 B13R1.74 CCOCc1ccc(cn1)[N+](=O)[O-] 7cc396d6de556399564ee83fe5060560 [0,2,0,0,0,0|2,0,0]=4 2080 B13R1.74 CCOCc1ccc(nc1)C(=O)N b026c32f6c3ceca52ae6429aa14875b5 [0,2,0,0,0,0|1,0,0]=3 2081 B13R1.74 CCOCc1ccc(nc1)C(=O)O 3eeb4f68bcfb22d17af6a439eb6e17ff [0,2,0,0,0,0|1,0,0]=3 2082 B13R1.74 CCOCc1ccc(nc1)[N+](=O)[O-] 848bc8301ad168f4bd167d297161d2aa [0,2,0,0,0,0|2,0,0]=4 2083 B13R1.74 CCOCc1cnc(cn1)C(=O)O e5fa2a66c70e4c8a902114a53fe6089c [0,2,0,0,0,0|2,0,0]=4 2084 B13R1.74 CN(C)c1ccc(cc1)OCCF b5f0d44cd3f4e97a58eb18178a18e7be [0,2,0,0,0,0|2,0,0]=4 2085 B13R1.74 CN(C)c1ccc(cc1)OCCS a1f3c19c52033d5ea2fd7978a6473d30 [0,2,0,0,0,0|2,0,0]=4 2086 B13R1.74 COCNc1ccc(cc1)C(=O)C 8af61c683a7341755578ba89b89e00cf [0,2,0,0,0,0|1,0,0]=3 2087 B13R1.74 COCNc1ccc(cc1)C(=O)N 5fb79787fa658ab0de5eb27a7da1048a [0,2,0,0,0,0|1,0,0]=3 2088 B13R1.74 COCNc1ccc(cc1)C(=O)O 53803a52bd74adbc9f460024ba34b410 [0,2,0,0,0,0|1,0,0]=3 2089 B13R1.74 COCNc1ccc(cc1)C(=S)N cea9b1026236a396c59ceed2a1d0ebe3 [0,2,0,0,0,0|1,1,0]=4 2090 B13R1.74 COCNc1ccc(cc1)S(=O)C a2b0fb188e5c4bdcc89e1a3df5aa58f4 [0,2,0,0,0,0|2,0,0]=4 2091 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] b6637b53a364068e98eeb12efe4d9b4f [0,2,0,0,0,0|2,0,0]=4 2092 B13R1.74 COCNc1ccc(cn1)C(=O)C b77a2538dd9d1749fa1d04be840f1a88 [0,2,0,0,0,0|2,0,0]=4 2093 B13R1.74 COCNc1ccc(cn1)C(=O)N 72c91a8140bc052c71a9d8b3f6ad7c08 [0,2,0,0,0,0|2,0,0]=4 2094 B13R1.74 COCNc1ccc(cn1)C(=O)O 894881be0a96c84e1cc6f1d37444c440 [0,2,0,0,0,0|2,0,0]=4 2095 B13R1.74 COCNc1ccc(nc1)C(=O)C d8fae6ff844d08261dc1f6e2d9c420ee [0,2,0,0,0,0|2,0,0]=4 2096 B13R1.74 COCNc1ccc(nc1)C(=O)N 13a6e5440f2967c4a8da780e59b0c30f [0,2,0,0,0,0|2,0,0]=4 2097 B13R1.74 COCNc1ccc(nc1)C(=O)O be4c3b466c7c0f999652136e136b4000 [0,2,0,0,0,0|2,0,0]=4 2098 B13R1.74 COCOc1ccc(cc1)C(=O)C cdab89ad69bc4aeaf45cbc37aafb0cdf [0,2,0,0,0,0|0,0,0]=2 2099 B13R1.74 COCOc1ccc(cc1)C(=O)N 8b4edececc13072830bf68bf2cb34326 [0,2,0,0,0,0|0,0,0]=2 2100 B13R1.74 COCOc1ccc(cc1)C(=O)O 232e0e8c5ee3d041143b1fc7e7dd56ed [0,2,0,0,0,0|0,0,0]=2 2101 B13R1.74 COCOc1ccc(cc1)C(=S)N 5db2953fd3174cbd5b4e017638fbe5a1 [0,2,0,0,0,0|0,1,0]=3 2102 B13R1.74 COCOc1ccc(cc1)C(C)C 172cc245da6e91fcf95eff4034178b2a [0,2,0,0,0,0|1,0,1]=4 2103 B13R1.74 COCOc1ccc(cc1)N(C)C 547436acd9ec2653248bbc97140fd359 [0,2,0,0,0,0|2,0,0]=4 2104 B13R1.74 COCOc1ccc(cc1)S(=O)C 1ecd2470c0ec98b36da7f0a05a01767d [0,2,0,0,0,0|1,0,0]=3 2105 B13R1.74 COCOc1ccc(cc1)[N+](=O)[O-] 183695e7bf0f7dbe9fbb2b6b9e1c967c [0,2,0,0,0,0|1,0,0]=3 2106 B13R1.74 COCOc1ccc(cn1)C(=O)C 5057e381a8876bd7d3a30fd7347615f4 [0,2,0,0,0,0|1,0,0]=3 2107 B13R1.74 COCOc1ccc(cn1)C(=O)N 1f3f2739e49423a6d749d7a4f4010612 [0,2,0,0,0,0|1,0,0]=3 2108 B13R1.74 COCOc1ccc(cn1)C(=O)O e9ff4a657906fc357fee40cc59268437 [0,2,0,0,0,0|1,0,0]=3 2109 B13R1.74 COCOc1ccc(cn1)C(=S)N 919baf2f619958b0abc0f3670b3658dc [0,2,0,0,0,0|1,1,0]=4 2110 B13R1.74 COCOc1ccc(nc1)C(=O)C 9cb8865d044c0c2b70dc5ba5ee03b1b2 [0,2,0,0,0,0|1,0,0]=3 2111 B13R1.74 COCOc1ccc(nc1)C(=O)N b25dac2f3346694a2dd62cdfa87c9276 [0,2,0,0,0,0|1,0,0]=3 2112 B13R1.74 COCOc1ccc(nc1)C(=O)O 1514eb778ec63d889640bbb212907d8a [0,2,0,0,0,0|1,0,0]=3 2113 B13R1.74 COCOc1ccc(nc1)[N+](=O)[O-] 3980fcf7ca0d1a4e01bf0cf76a426277 [0,2,0,0,0,0|2,0,0]=4 2114 B13R1.74 COCOc1cnc(cn1)C(=O)C 2b85a45f7744e9b9bb82013ff6857515 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.74 COCOc1cnc(cn1)C(=O)N f960ccc07c4b894de0060737e7eb78c9 [0,2,0,0,0,0|2,0,0]=4 2116 B13R1.74 COCOc1cnc(cn1)C(=O)O ee7c24b9936eaea9ccffe43dd9189712 [0,2,0,0,0,0|2,0,0]=4 2117 B13R1.74 COCOc1cnc(nc1)C(=O)O 37b9425149c28b12cbab330a4e39599e [0,2,0,0,0,0|2,0,0]=4 2118 B13R1.74 COCOc1ncc(cn1)C(=O)C dc0be8f4321aceeb4342b69b14f12b7a [0,2,0,0,0,0|2,0,0]=4 2119 B13R1.74 COCOc1ncc(cn1)C(=O)N cafcc8a285e25632b1196bf8e0075628 [0,2,0,0,0,0|2,0,0]=4 2120 B13R1.74 COCOc1ncc(cn1)C(=O)O 538f1a210ba2535ab602939635d7cf69 [0,2,0,0,0,0|2,0,0]=4 2121 B13R1.74 CS(=O)c1ccc(cc1)NCCBr 1d998c4cac73783be06dd2d6f5711e40 [0,2,0,0,0,0|2,0,0]=4 2122 B13R1.74 CS(=O)c1ccc(cc1)NCCF 03b8c4c1510eb4b109b3a8f957132b4e [0,2,0,0,0,0|2,0,0]=4 2123 B13R1.74 CS(=O)c1ccc(cc1)NCCI a3875c0c2a8bd79810c0f6df9205a4d4 [0,2,0,0,0,0|2,0,0]=4 2124 B13R1.74 CS(=O)c1ccc(cc1)NCCO d3a32e71956f53dfeb402d5986fbd337 [0,2,0,0,0,0|2,0,0]=4 2125 B13R1.74 CS(=O)c1ccc(cc1)NCCS 3054eec6e0fa452d1c8c95fd65347a72 [0,2,0,0,0,0|2,0,0]=4 2126 B13R1.74 CS(=O)c1ccc(cc1)OCC#N 04df66fcee4428488230cfe501ed6193 [0,2,0,0,0,0|1,0,1]=4 2127 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 98bf10ebab20689235fcd0c68364607a [0,2,0,0,0,0|1,0,1]=4 2128 B13R1.74 CS(=O)c1ccc(cc1)OCCF fcc57eff6c8a194a1f284adf4b77caea [0,2,0,0,0,0|1,0,0]=3 2129 B13R1.74 CS(=O)c1ccc(cc1)OCCS b97d9129fe13ec86e7ca4a81584cd23b [0,2,0,0,0,0|1,0,0]=3 2130 B13R1.74 CSCNc1ccc(cc1)C(=O)C 3a509e2567036c55cff3f54ccee4a5fc [0,2,0,0,0,0|1,0,0]=3 2131 B13R1.74 CSCNc1ccc(cc1)C(=O)N a0882f2dbee789a61d5f396cf560112e [0,2,0,0,0,0|1,0,0]=3 2132 B13R1.74 CSCNc1ccc(cc1)C(=O)O 554030e0a22b3d529d25b546a1056984 [0,2,0,0,0,0|1,0,0]=3 2133 B13R1.74 CSCNc1ccc(cc1)C(=S)N d52455b1e6a032c8147e22c7c53056b0 [0,2,0,0,0,0|1,1,0]=4 2134 B13R1.74 CSCNc1ccc(cc1)S(=O)C 0244e42d62ab0bfb4400afb641a84402 [0,2,0,0,0,0|2,0,0]=4 2135 B13R1.74 CSCNc1ccc(cn1)C(=O)C 48decc8c65528b18cacd40ac1a52745b [0,2,0,0,0,0|2,0,0]=4 2136 B13R1.74 CSCNc1ccc(cn1)C(=O)N 804944e5c9469ea443aae3885ea0bb13 [0,2,0,0,0,0|2,0,0]=4 2137 B13R1.74 CSCNc1ccc(cn1)C(=O)O 306066c37f1f8b5ff665849f8cec13f8 [0,2,0,0,0,0|2,0,0]=4 2138 B13R1.74 CSCNc1ccc(nc1)C(=O)C 2e321bc58d810ba0ed59e713f4837b3d [0,2,0,0,0,0|2,0,0]=4 2139 B13R1.74 CSCNc1ccc(nc1)C(=O)N 59eab4b7b766de159c6f24d90ff63cb1 [0,2,0,0,0,0|2,0,0]=4 2140 B13R1.74 CSCNc1ccc(nc1)C(=O)O 8c623b24f2b06206a90be4f1b30f2b58 [0,2,0,0,0,0|2,0,0]=4 2141 B13R1.74 CSCOc1ccc(cc1)C(=O)C fc5cb2c7dda29a4a272c0869a9ba9948 [0,2,0,0,0,0|0,0,0]=2 2142 B13R1.74 CSCOc1ccc(cc1)C(=O)N 9fc8815100b379eac0c3284a4945cad6 [0,2,0,0,0,0|0,0,0]=2 2143 B13R1.74 CSCOc1ccc(cc1)C(=O)O 1cdb63aaf234af12106a2c0c7037c19b [0,2,0,0,0,0|0,0,0]=2 2144 B13R1.74 CSCOc1ccc(cc1)C(=S)N c01c361fe16e389d05efec4c586bce67 [0,2,0,0,0,0|0,1,0]=3 2145 B13R1.74 CSCOc1ccc(cc1)C(C)C 9541b5b324300c980e02e0dcd9aa16b9 [0,2,0,0,0,0|1,0,1]=4 2146 B13R1.74 CSCOc1ccc(cc1)N(C)C dfb67b27a0834adec3fc5743dd555dc2 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.74 CSCOc1ccc(cc1)S(=O)C 1307c4b467256bdfb592a32db0affd95 [0,2,0,0,0,0|1,0,0]=3 2148 B13R1.74 CSCOc1ccc(cn1)C(=O)C 758ac9d41a0b8d7dbd6056147534f6d0 [0,2,0,0,0,0|1,0,0]=3 2149 B13R1.74 CSCOc1ccc(cn1)C(=O)N f4caa91b51cb32598f9f997a97fe9a94 [0,2,0,0,0,0|1,0,0]=3 2150 B13R1.74 CSCOc1ccc(cn1)C(=O)O 9534b7498485a688938e37e2df0e5ccb [0,2,0,0,0,0|1,0,0]=3 2151 B13R1.74 CSCOc1ccc(cn1)C(=S)N 710976353d30b6f02eab4740f21406cd [0,2,0,0,0,0|1,1,0]=4 2152 B13R1.74 CSCOc1ccc(nc1)C(=O)C bbdfc89bb7673373d967b459458e9c73 [0,2,0,0,0,0|1,0,0]=3 2153 B13R1.74 CSCOc1ccc(nc1)C(=O)N f81bff6ebf432c901f29ffa3b1f3afcd [0,2,0,0,0,0|1,0,0]=3 2154 B13R1.74 CSCOc1ccc(nc1)C(=O)O 20695ad3507470c14743c45d8aec325f [0,2,0,0,0,0|1,0,0]=3 2155 B13R1.74 CSCOc1ccc(nc1)[N+](=O)[O-] fdf65ff087e6d86d929716597fd07191 [0,2,0,0,0,0|2,0,0]=4 2156 B13R1.74 CSCOc1cnc(cn1)C(=O)C 5cd13d83e9f8d163a046f36fec07a8ea [0,2,0,0,0,0|2,0,0]=4 2157 B13R1.74 CSCOc1cnc(cn1)C(=O)N 56c1bb46b76234d759840f92ce12f522 [0,2,0,0,0,0|2,0,0]=4 2158 B13R1.74 CSCOc1cnc(cn1)C(=O)O 0bf22f11b957d2426ff64516cce41b77 [0,2,0,0,0,0|2,0,0]=4 2159 B13R1.74 CSCOc1cnc(nc1)C(=O)O 7d6b2edb34e628b6ffce52b69e565503 [0,2,0,0,0,0|2,0,0]=4 2160 B13R1.74 CSCOc1ncc(cn1)C(=O)C d133481a3aa08ebb8a3550f4a83bc8f9 [0,2,0,0,0,0|2,0,0]=4 2161 B13R1.74 CSCOc1ncc(cn1)C(=O)N 0f863b37cf29dc8938aae8b436ae448a [0,2,0,0,0,0|2,0,0]=4 2162 B13R1.74 CSCOc1ncc(cn1)C(=O)O 15dd32f2354c93d41859850880309eff [0,2,0,0,0,0|2,0,0]=4 2163 B13R1.74 N#CCNc1ccc(cc1)C(=O)N 554be6adcd7f5578cd1f06149231a2df [0,2,0,0,0,0|1,0,1]=4 2164 B13R1.74 N#CCNc1ccc(cc1)C(=O)O 3d14791f5eee244f0d2a92b19e8f9540 [0,2,0,0,0,0|1,0,1]=4 2165 B13R1.74 N#CCOc1ccc(cc1)C(=O)N 62e399692354c5ce38473eef36ae4ad6 [0,2,0,0,0,0|0,0,1]=3 2166 B13R1.74 N#CCOc1ccc(cc1)C(=O)O 710f859e892aeb08397581b9ac175a03 [0,2,0,0,0,0|0,0,1]=3 2167 B13R1.74 N#CCOc1ccc(cc1)C(=S)N 11e49c82cde0b51cce550b8025ee48e3 [0,2,0,0,0,0|0,1,1]=4 2168 B13R1.74 N#CCOc1ccc(cc1)[N+](=O)[O-] a97212eb7bc306a4a0454ae03177b68b [0,2,0,0,0,0|1,0,1]=4 2169 B13R1.74 N#CCOc1ccc(cn1)C(=O)N ec2093bf294c3bfb7d6ec2f07c74da7b [0,2,0,0,0,0|1,0,1]=4 2170 B13R1.74 N#CCOc1ccc(cn1)C(=O)O 9ba8a6dbe1235532d03634a020d04582 [0,2,0,0,0,0|1,0,1]=4 2171 B13R1.74 N#CCOc1ccc(nc1)C(=O)N bcec469172ffcff736d7ec6054843f22 [0,2,0,0,0,0|1,0,1]=4 2172 B13R1.74 N#CCOc1ccc(nc1)C(=O)O 93e144f2a9ad49b3e1fb146d2ae0cbc2 [0,2,0,0,0,0|1,0,1]=4 2173 B13R1.74 NC(=O)c1ccc(cc1)CNCF 0af2dcb1f920d9e6ef103a988de889e8 [0,2,0,0,0,0|2,0,0]=4 2174 B13R1.74 NC(=O)c1ccc(cc1)CNCO 3d220b9d59686b8e1cfa1eb7e6099194 [0,2,0,0,0,0|2,0,0]=4 2175 B13R1.74 NC(=O)c1ccc(cc1)COCF 0598f47f535320fe7144cc43e73d4c7e [0,2,0,0,0,0|1,0,0]=3 2176 B13R1.74 NC(=O)c1ccc(cc1)NCC=O fccf3dfa34cc713b3f03b578e72cc813 [0,2,0,0,0,0|1,0,1]=4 2177 B13R1.74 NC(=O)c1ccc(cc1)NCCBr 8ff9891d9ed0948166afcbc31191b4ab [0,2,0,0,0,0|1,0,0]=3 2178 B13R1.74 NC(=O)c1ccc(cc1)NCCF 06cb6ece867d2336b9c5b96ba7324bf6 [0,2,0,0,0,0|1,0,0]=3 2179 B13R1.74 NC(=O)c1ccc(cc1)NCCO e35367d7bec2798731be1f0b8505943f [0,2,0,0,0,0|1,0,0]=3 2180 B13R1.74 NC(=O)c1ccc(cc1)NCCS cac26b780663abc7d2f61a0f4e37436b [0,2,0,0,0,0|1,0,0]=3 2181 B13R1.74 NC(=O)c1ccc(cc1)OCC=O aaf6ec42e28e37ce9163dbaa9f9a4796 [0,2,0,0,0,0|0,0,1]=3 2182 B13R1.74 NC(=O)c1ccc(cc1)OCCF 28864cd516adb5451e176b898da182f4 [0,2,0,0,0,0|0,0,0]=2 2183 B13R1.74 NC(=O)c1ccc(cc1)OCCS 71ad72613ff87d1b409efec9c286072d [0,2,0,0,0,0|0,0,0]=2 2184 B13R1.74 NC(=O)c1ccc(cn1)COCF f61a2ed16a15fa74f08f223c93eb78c3 [0,2,0,0,0,0|2,0,0]=4 2185 B13R1.74 NC(=O)c1ccc(cn1)NCCBr d6c1d2677cbc4a5643bb05620ffa9e5f [0,2,0,0,0,0|2,0,0]=4 2186 B13R1.74 NC(=O)c1ccc(cn1)NCCF 5e7bfd61d13656c5199b6ac42a1a4ee2 [0,2,0,0,0,0|2,0,0]=4 2187 B13R1.74 NC(=O)c1ccc(cn1)NCCO eb6447b24cb2027932b16b976a3b61c0 [0,2,0,0,0,0|2,0,0]=4 2188 B13R1.74 NC(=O)c1ccc(cn1)NCCS eca23ae160979a0f99805a0e2d5ae7eb [0,2,0,0,0,0|2,0,0]=4 2189 B13R1.74 NC(=O)c1ccc(cn1)OCC=O 672c5c0e7b34f3e1bb30a074296d32db [0,2,0,0,0,0|1,0,1]=4 2190 B13R1.74 NC(=O)c1ccc(cn1)OCCF 09ccd4174a3d13ef557b0865fd8cc378 [0,2,0,0,0,0|1,0,0]=3 2191 B13R1.74 NC(=O)c1ccc(cn1)OCCS 1396548b8c76ef5b17d4e7117b234ad1 [0,2,0,0,0,0|1,0,0]=3 2192 B13R1.74 NC(=O)c1ccc(nc1)COCF 37bb0f0c7941b8880f906406b11ab49c [0,2,0,0,0,0|2,0,0]=4 2193 B13R1.74 NC(=O)c1ccc(nc1)NCCBr 8db9b4ae5efa735e460a1552946a1975 [0,2,0,0,0,0|2,0,0]=4 2194 B13R1.74 NC(=O)c1ccc(nc1)NCCF e3f1ae9216543520ea1a98f1e8a59778 [0,2,0,0,0,0|2,0,0]=4 2195 B13R1.74 NC(=O)c1ccc(nc1)NCCO 2653bed32efb6c3b024931d5ffd4adcb [0,2,0,0,0,0|2,0,0]=4 2196 B13R1.74 NC(=O)c1ccc(nc1)NCCS 67fae6a838b1290ab90031b9ec093e02 [0,2,0,0,0,0|2,0,0]=4 2197 B13R1.74 NC(=O)c1ccc(nc1)OCC=O f96a017f287a5bef8852fca15fe03574 [0,2,0,0,0,0|1,0,1]=4 2198 B13R1.74 NC(=O)c1ccc(nc1)OCCF 16cc72d979320386f74dfb6fd8f79eb1 [0,2,0,0,0,0|1,0,0]=3 2199 B13R1.74 NC(=O)c1ccc(nc1)OCCS 27cff4c4d39bfb7b8f54b2e8a1a7060a [0,2,0,0,0,0|1,0,0]=3 2200 B13R1.74 NC(=O)c1cnc(cn1)OCCF d923e56d81c0eaa82669b03de5f532cd [0,2,0,0,0,0|2,0,0]=4 2201 B13R1.74 NC(=O)c1cnc(cn1)OCCS 3e88307208f0d03d5fc731332e0181f4 [0,2,0,0,0,0|2,0,0]=4 2202 B13R1.74 NC(=O)c1cnc(nc1)OCCF fb61bb55ab0bc80948cb214b2637fd89 [0,2,0,0,0,0|2,0,0]=4 2203 B13R1.74 NC(=O)c1cnc(nc1)OCCS 60dd5c436b344a895bb9fb1772a0061c [0,2,0,0,0,0|2,0,0]=4 2204 B13R1.74 NC(=S)c1ccc(cc1)NCCBr aa2f80fb1d7d976d9a0b3321dc9bf3fa [0,2,0,0,0,0|1,1,0]=4 2205 B13R1.74 NC(=S)c1ccc(cc1)NCCF 055caaa581ac8f82611a8bbefa9541f6 [0,2,0,0,0,0|1,1,0]=4 2206 B13R1.74 NC(=S)c1ccc(cc1)NCCI 984b68c8ee23a2804bc69cbd5fecf221 [0,2,0,0,0,0|1,1,0]=4 2207 B13R1.74 NC(=S)c1ccc(cc1)NCCO c4a3f19a427cc79ec6c7e4cd1fa730d9 [0,2,0,0,0,0|1,1,0]=4 2208 B13R1.74 NC(=S)c1ccc(cc1)NCCS b3345e23d6e26c857820176f53d302bc [0,2,0,0,0,0|1,1,0]=4 2209 B13R1.74 NC(=S)c1ccc(cc1)OCC=O c5ae87b75a605ab454c70859acd42b85 [0,2,0,0,0,0|0,1,1]=4 2210 B13R1.74 NC(=S)c1ccc(cc1)OCCF 1ecd75244378ca562c0886b971cf38a5 [0,2,0,0,0,0|0,1,0]=3 2211 B13R1.74 NC(=S)c1ccc(cc1)OCCS af61e49499eb3011a54a99de9fc25bd3 [0,2,0,0,0,0|0,1,0]=3 2212 B13R1.74 NC(=S)c1ccc(nc1)OCCF 1d0db40ed25a7089f9cc3ee133909d57 [0,2,0,0,0,0|1,1,0]=4 2213 B13R1.74 NC(=S)c1ccc(nc1)OCCS 5d094f03bb43563e6ded1ae11a0790f6 [0,2,0,0,0,0|1,1,0]=4 2214 B13R1.74 O=C(F)c1ccc(cc1)NCCBr 9c3bcd2cd09a0f080002d60ca7a36c64 [0,2,0,0,0,0|1,0,0]=3 2215 B13R1.74 O=C(F)c1ccc(cc1)NCCF b1232b7ad2ca0c9e76749c4a901c3d55 [0,2,0,0,0,0|1,0,0]=3 2216 B13R1.74 O=C(F)c1ccc(cc1)NCCI 7ec43ca26416d6cc1f7d5f4a3a37e177 [0,2,0,0,0,0|1,0,0]=3 2217 B13R1.74 O=C(F)c1ccc(cc1)NCCO 04238918edd38ab154634fc7c0bcc095 [0,2,0,0,0,0|1,0,0]=3 2218 B13R1.74 O=C(F)c1ccc(cc1)NCCS cdd4775cd3bf03c5fbbc05535943b8b5 [0,2,0,0,0,0|1,0,0]=3 2219 B13R1.74 O=C(O)c1ccc(cc1)CNCF fce6dc4ef91bf171a927a0870ec8a119 [0,2,0,0,0,0|2,0,0]=4 2220 B13R1.74 O=C(O)c1ccc(cc1)CNCO 22e2e2355359955e97d4c429bd3d0f01 [0,2,0,0,0,0|2,0,0]=4 2221 B13R1.74 O=C(O)c1ccc(cc1)COCF 934898ad9bb77a914bed33c94c0892d7 [0,2,0,0,0,0|1,0,0]=3 2222 B13R1.74 O=C(O)c1ccc(cc1)NCCF a22eabc319ea0c02b0bd0a0ec87f8013 [0,2,0,0,0,0|1,0,0]=3 2223 B13R1.74 O=C(O)c1ccc(cc1)NCCO c6e149b9633e15887cb68acce64a375b [0,2,0,0,0,0|1,0,0]=3 2224 B13R1.74 O=C(O)c1ccc(cc1)NCCS 57cfc73905de0966d2d9fa4841b6e0bb [0,2,0,0,0,0|1,0,0]=3 2225 B13R1.74 O=C(O)c1ccc(cc1)OCCF 5f2f07081719d85a5d6d480a4d29165b [0,2,0,0,0,0|0,0,0]=2 2226 B13R1.74 O=C(O)c1ccc(cc1)OCCS 66c139ec3e1cb93bbd22641fbccea8eb [0,2,0,0,0,0|0,0,0]=2 2227 B13R1.74 O=C(O)c1ccc(cn1)COCF 9e7651a15b36357f16c0c5146113bbe5 [0,2,0,0,0,0|2,0,0]=4 2228 B13R1.74 O=C(O)c1ccc(cn1)NCCF 3383568190e9142d690abe3ce1c94d49 [0,2,0,0,0,0|2,0,0]=4 2229 B13R1.74 O=C(O)c1ccc(cn1)NCCO d8454765853ae4ea35fd0158b9f7ab5c [0,2,0,0,0,0|2,0,0]=4 2230 B13R1.74 O=C(O)c1ccc(cn1)NCCS 1b714c248456661585b0ebf68335e3d1 [0,2,0,0,0,0|2,0,0]=4 2231 B13R1.74 O=C(O)c1ccc(cn1)OCCF 846646c2cfc6f6ef14c85f37785a98b9 [0,2,0,0,0,0|1,0,0]=3 2232 B13R1.74 O=C(O)c1ccc(cn1)OCCS 62decc4138def1463bc4c750234fa375 [0,2,0,0,0,0|1,0,0]=3 2233 B13R1.74 O=C(O)c1ccc(nc1)COCF 62d2db39988178d5ced85670e11f1018 [0,2,0,0,0,0|2,0,0]=4 2234 B13R1.74 O=C(O)c1ccc(nc1)NCCF 279ebb9cc0623888bb667e6b51504ecb [0,2,0,0,0,0|2,0,0]=4 2235 B13R1.74 O=C(O)c1ccc(nc1)NCCO d090cc184c5020cc46da05c6c835cd7f [0,2,0,0,0,0|2,0,0]=4 2236 B13R1.74 O=C(O)c1ccc(nc1)NCCS 5621f5768dfd7898bf046374f4ee3143 [0,2,0,0,0,0|2,0,0]=4 2237 B13R1.74 O=C(O)c1ccc(nc1)OCCF 0cd357f99a6020df3fbeb915f71443e0 [0,2,0,0,0,0|1,0,0]=3 2238 B13R1.74 O=C(O)c1ccc(nc1)OCCS 073740f370758ef8208477d5657175b6 [0,2,0,0,0,0|1,0,0]=3 2239 B13R1.74 O=C(O)c1cnc(cn1)OCCF 681a8dd6b39e3c4096d0bcd87bf6dcdf [0,2,0,0,0,0|2,0,0]=4 2240 B13R1.74 O=C(O)c1cnc(cn1)OCCS 385c189637cc5107b8d27d2a79d62c1c [0,2,0,0,0,0|2,0,0]=4 2241 B13R1.74 O=C(O)c1cnc(nc1)OCCF 19af17fd75b6ffb03ea68bde68cc9d15 [0,2,0,0,0,0|2,0,0]=4 2242 B13R1.74 O=C(O)c1cnc(nc1)OCCS f2531db5a289cbad7a26f90123288b8f [0,2,0,0,0,0|2,0,0]=4 2243 B13R1.74 O=C(O)c1ncc(cn1)OCCF f0b87a3e268d32a1e2c48241242dfb8f [0,2,0,0,0,0|2,0,0]=4 2244 B13R1.74 O=C(O)c1ncc(cn1)OCCS 05ee480dd310c760583f23d36b23aa51 [0,2,0,0,0,0|2,0,0]=4 2245 B13R1.74 O=CCNc1ccc(cc1)C(=O)O 874cf38ac0c94927e4b708b1d26e2c3d [0,2,0,0,0,0|1,0,1]=4 2246 B13R1.74 O=CCOc1ccc(cc1)C(=O)O ae7b4bd3bc5714152ce35f4e8f764ea4 [0,2,0,0,0,0|0,0,1]=3 2247 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] b6965956af3d2504161ff9632a5d8056 [0,2,0,0,0,0|1,0,1]=4 2248 B13R1.74 O=CCOc1ccc(cn1)C(=O)O 594451a505788a63e692d3cf644109ac [0,2,0,0,0,0|1,0,1]=4 2249 B13R1.74 O=CCOc1ccc(nc1)C(=O)O c8bedd93fabe03e38f7d52538d6c4f8e [0,2,0,0,0,0|1,0,1]=4 2250 B13R1.74 O=S(O)c1ccc(cc1)NCCBr 92befca1ec093bb3a7756963fb30f789 [0,2,0,0,0,0|2,0,0]=4 2251 B13R1.74 O=S(O)c1ccc(cc1)NCCF 34f7739aa266feb8b2563e2b800c65b2 [0,2,0,0,0,0|2,0,0]=4 2252 B13R1.74 O=S(O)c1ccc(cc1)NCCI 9c2661708941d4ca5b43e20b615c28bd [0,2,0,0,0,0|2,0,0]=4 2253 B13R1.74 O=S(O)c1ccc(cc1)NCCO e011855d1d2afbedd38ccebc3e696f53 [0,2,0,0,0,0|2,0,0]=4 2254 B13R1.74 O=S(O)c1ccc(cc1)NCCS 30ef1597f83972673ac49a9ee36b3851 [0,2,0,0,0,0|2,0,0]=4 2255 B13R1.74 O=[N+]([O-])c1ccc(cc1)COCF 66c16d3169c914644596e89c360bb401 [0,2,0,0,0,0|2,0,0]=4 2256 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCF 5d4f67b54fe3af1d1a36856489a10fdd [0,2,0,0,0,0|2,0,0]=4 2257 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO a37187fe126a2b684712152c586bed42 [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCS 00778b0c2b5045eeb363f4b3d87df8f7 [0,2,0,0,0,0|2,0,0]=4 2259 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCS 07f2fdebf7b82571774b0196eb113c63 [0,2,0,0,0,0|1,0,0]=3 2260 B13R1.74 O=[N+]([O-])c1ccc(cn1)OCCF a99eef2d8b8568abc90a039b36b38beb [0,2,0,0,0,0|2,0,0]=4 2261 B13R1.74 O=[N+]([O-])c1ccc(cn1)OCCS 5c73e06756737a96f5310ab0511383bd [0,2,0,0,0,0|2,0,0]=4 2262 B13R1.74 S=C(S)c1ccc(cc1)NCCBr 057a3d73917e6495304e8b7a705cb292 [0,2,0,0,0,0|1,1,0]=4 2263 B13R1.74 S=C(S)c1ccc(cc1)NCCS 33bd0b4c8c017135b37a9279798360e0 [0,2,0,0,0,0|1,1,0]=4 2264 B13R1.75 C#CCNc1ccc(cc1Br)C=O c7248c9a4e7819d014cbf9bfe663ea46 [0,2,0,0,0,0|1,0,1]=4 2265 B13R1.75 C#CCOc1ccc(cc1Br)C=O cb4d01bd637c5df7646bdd18891687f0 [0,2,0,0,0,0|0,0,1]=3 2266 B13R1.75 C#CCOc1ccc(cc1C)C=O 86d452a2915e9f45f2a9a0d2504cb39f [0,2,0,0,0,0|0,0,1]=3 2267 B13R1.75 C#CCOc1ccc(cc1Cl)C=O 128671ed7fc3fcd1b8e9d208496edb22 [0,2,0,0,0,0|0,0,1]=3 2268 B13R1.75 C#CCOc1ccc(cc1F)C=O 5928c57d23268057c2a9718d06a5a32e [0,2,0,0,0,0|0,0,1]=3 2269 B13R1.75 C#CCOc1ccc(cc1I)C=C d18e2ac131875e554c4c83bb8f25b168 [0,2,0,0,0,0|1,0,1]=4 2270 B13R1.75 C#CCOc1ccc(cc1I)C=O 1ca1f1015e3d0edb09da1669e21522c4 [0,2,0,0,0,0|0,0,1]=3 2271 B13R1.75 C#CCOc1ccc(nc1Br)C=O 33b9592d947dc9f085af20605710f23b [0,2,0,0,0,0|1,0,1]=4 2272 B13R1.75 C#CCOc1ncc(cc1C)C=O fa54653a4cf9a7d29ae88d66f4174557 [0,2,0,0,0,0|1,0,1]=4 2273 B13R1.75 C#CCOc1ncc(cc1Cl)C=O c0600182372f86dbea342e60c257c4f9 [0,2,0,0,0,0|1,0,1]=4 2274 B13R1.75 C#CCOc1ncc(cc1F)C=O 1514c3b52524a15ec879f5c4fd5cd4f2 [0,2,0,0,0,0|1,0,1]=4 2275 B13R1.75 C=CCNc1ccc(cc1Br)C=O ac082607d93fcc21c6618cb208940920 [0,2,0,0,0,0|1,0,1]=4 2276 B13R1.75 C=CCOc1ccc(cc1Br)C=O cdd3a6d5ddc20752e21307864b1b5dca [0,2,0,0,0,0|0,0,1]=3 2277 B13R1.75 C=CCOc1ccc(cc1C)C=O d1a54ada0cfe3b15b7acdc7bab63eed8 [0,2,0,0,0,0|0,0,1]=3 2278 B13R1.75 C=CCOc1ccc(cc1Cl)C=O b113b6c32a845ca6c7c93199d13abc64 [0,2,0,0,0,0|0,0,1]=3 2279 B13R1.75 C=CCOc1ccc(cc1F)C=O 8635ad3aa331de9e6ad6dc8560586890 [0,2,0,0,0,0|0,0,1]=3 2280 B13R1.75 C=CCOc1ccc(cc1I)C=C 9db693b60c9c2653889ce4fb46173d31 [0,2,0,0,0,0|1,0,1]=4 2281 B13R1.75 C=CCOc1ccc(cc1I)C=O 833877332ddf3f51ec2c8e92f0db7d20 [0,2,0,0,0,0|0,0,1]=3 2282 B13R1.75 C=CCOc1ccc(nc1Br)C=O 3fd981c01defadb2571c0d72b288df12 [0,2,0,0,0,0|1,0,1]=4 2283 B13R1.75 C=CCOc1ncc(cc1C)C=O 68ac028c9f0ef6b5d2ca9036f01ae94c [0,2,0,0,0,0|1,0,1]=4 2284 B13R1.75 C=CCOc1ncc(cc1Cl)C=O 7c93836a4e25bf00a84f3d97c960d3f4 [0,2,0,0,0,0|1,0,1]=4 2285 B13R1.75 C=CCOc1ncc(cc1F)C=O a99c4607f2e492c7c34f113524ec45cd [0,2,0,0,0,0|1,0,1]=4 2286 B13R1.75 C=Cc1ccc(c(c1)I)OCC#N 16e30e9456bd1871a8d4adfacd710fb3 [0,2,0,0,0,0|1,0,1]=4 2287 B13R1.75 C=Cc1ccc(c(c1)I)OCC=O 5fc97f13c390abfa238197082132cef4 [0,2,0,0,0,0|1,0,1]=4 2288 B13R1.75 C=Cc1ccc(c(c1)I)OCCC a3dda663a9970162881f57b8835b81fe [0,2,0,0,0,0|1,0,0]=3 2289 B13R1.75 C=Cc1ccc(c(c1)I)OCCF 52716a435281830d3b1d68684c347476 [0,2,0,0,0,0|1,0,0]=3 2290 B13R1.75 C=Cc1ccc(c(c1)I)OCCS 5ae99c7be9291a7bd2590e071a48e554 [0,2,0,0,0,0|1,0,0]=3 2291 B13R1.75 C=Cc1ccc(c(c1)I)OCOC 1626b442444682fb3d113d149d81bafc [0,2,0,0,0,0|1,0,0]=3 2292 B13R1.75 C=Cc1ccc(c(c1)I)OCSC a287d279aee95ad0ab3a4bae5166caf4 [0,2,0,0,0,0|1,0,0]=3 2293 B13R1.75 CCCNc1ccc(cc1Br)C=O 3e2b54f9f675246e1e93776f20be1086 [0,2,0,0,0,0|1,0,0]=3 2294 B13R1.75 CCCNc1ccc(nc1C)C=O dd339600092b147cd3300b08d90cc5d7 [0,2,0,0,0,0|2,0,0]=4 2295 B13R1.75 CCCNc1ccc(nc1F)C=O a2b13d1d394f5c90e10c445d9698232c [0,2,0,0,0,0|2,0,0]=4 2296 B13R1.75 CCCNc1ncc(cc1Br)C=O 6d6154e2a049eb7c047b5334eb4cf1e1 [0,2,0,0,0,0|2,0,0]=4 2297 B13R1.75 CCCNc1ncc(cc1C)C=O ef430395b6bde4ef6d2233c3a5ae522e [0,2,0,0,0,0|2,0,0]=4 2298 B13R1.75 CCCNc1ncc(cc1F)C=O 69a28cd63c72679bca9484683c700321 [0,2,0,0,0,0|2,0,0]=4 2299 B13R1.75 CCCNc1ncc(cc1O)C=O a66cd5934ba73ea51ecb8ea18f122a12 [0,2,0,0,0,0|2,0,0]=4 2300 B13R1.75 CCCOc1ccc(cc1Br)C#N ad3bc73fb4619085bce5a1b5788f4554 [0,2,0,0,0,0|1,0,1]=4 2301 B13R1.75 CCCOc1ccc(cc1Br)CC 0787247a678d67e4be2eb656e9a200d0 [0,2,0,0,0,0|1,0,1]=4 2302 B13R1.75 CCCOc1ccc(cc1Br)OC b8405e1334725bccbb727685926336a5 [0,2,0,0,0,0|2,0,0]=4 2303 B13R1.75 CCCOc1ccc(cc1Br)SC 5db29063e679230fdb92fa1205103e91 [0,2,0,0,0,0|2,0,0]=4 2304 B13R1.75 CCCOc1ccc(cc1C)C#N 0e9038cca588580c0710fef6b22b8f97 [0,2,0,0,0,0|1,0,1]=4 2305 B13R1.75 CCCOc1ccc(cc1C)C=O 2c4b4732c3224131e1b191d5793f1d07 [0,2,0,0,0,0|0,0,0]=2 2306 B13R1.75 CCCOc1ccc(cc1C)CC 0527319f15cb62bc3eb7ac6482b12a8a [0,2,0,0,0,0|1,0,1]=4 2307 B13R1.75 CCCOc1ccc(cc1C)OC 19a9ae2e88745c8b860d93d212c66a4a [0,2,0,0,0,0|2,0,0]=4 2308 B13R1.75 CCCOc1ccc(cc1C)SC 47e164897951d3cad459bd05f3997daa [0,2,0,0,0,0|2,0,0]=4 2309 B13R1.75 CCCOc1ccc(cc1Cl)C#N 96b2d9bb3e85b99c482075c39c24d5af [0,2,0,0,0,0|1,0,1]=4 2310 B13R1.75 CCCOc1ccc(cc1Cl)C=O 5d8bc8cbd6186fc7d1e9efc43d282a66 [0,2,0,0,0,0|0,0,0]=2 2311 B13R1.75 CCCOc1ccc(cc1Cl)CC 7faadedeafb1519caaac3e9cae50179e [0,2,0,0,0,0|1,0,1]=4 2312 B13R1.75 CCCOc1ccc(cc1Cl)OC 6f55e345c2d01f9bec2b88d5289968b3 [0,2,0,0,0,0|2,0,0]=4 2313 B13R1.75 CCCOc1ccc(cc1F)C#N 5ef23554aad71a7170b3c9fafd9a277f [0,2,0,0,0,0|1,0,1]=4 2314 B13R1.75 CCCOc1ccc(cc1F)C=O c61a9680b9d9d9bc70aaee80a39e8956 [0,2,0,0,0,0|0,0,0]=2 2315 B13R1.75 CCCOc1ccc(cc1F)OC ed358506545f8966f3aa15a37aa91cb7 [0,2,0,0,0,0|2,0,0]=4 2316 B13R1.75 CCCOc1ccc(cc1I)C#N 9e3b8a6b026421c0efb3609826df2876 [0,2,0,0,0,0|1,0,1]=4 2317 B13R1.75 CCCOc1ccc(cc1I)C=O b4ec9c4d788af7ff51ffe42dc3992918 [0,2,0,0,0,0|0,0,0]=2 2318 B13R1.75 CCCOc1ccc(cc1I)OC 90994b78c1c14af62fc01bc852f4683e [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.75 CCCOc1ccc(nc1Br)C=O 510a01bc4b4ad644bbf9682c6c4e181e [0,2,0,0,0,0|1,0,0]=3 2320 B13R1.75 CCCOc1ncc(cc1C)C=O d099378426baf6d665dc90e4e42850fc [0,2,0,0,0,0|1,0,0]=3 2321 B13R1.75 CCCOc1ncc(cc1Cl)C=O 07ee3732c2d160f2e6893b9a05045b9f [0,2,0,0,0,0|1,0,0]=3 2322 B13R1.75 CCCOc1ncc(cc1F)C=O 0807746607411bc5f3cf1ac1aacccf52 [0,2,0,0,0,0|1,0,0]=3 2323 B13R1.75 CCOCc1ccc(cc1Br)C#N 6bbd0a15e9f7953c1a0da3ac87c401d7 [0,2,0,0,0,0|1,0,1]=4 2324 B13R1.75 CCOCc1ccc(cc1Br)CC b42538b00bfc84172e221b4d226a2a82 [0,2,0,0,0,0|1,0,1]=4 2325 B13R1.75 CCOCc1ccc(cc1Br)OC b8203bee705f2f1c67f26eccabbb1a0c [0,2,0,0,0,0|2,0,0]=4 2326 B13R1.75 CCOCc1ccc(cc1C)C#N 7a283397f61b73325c0804679af83ff1 [0,2,0,0,0,0|1,0,1]=4 2327 B13R1.75 CCOCc1ccc(cc1C)OC 8ca21e2dfaa200e91763381de45ed41c [0,2,0,0,0,0|2,0,0]=4 2328 B13R1.75 CCOCc1ccc(cc1C)SC fe9ca72c65a3e66009fe53eed5f4f64d [0,2,0,0,0,0|2,0,0]=4 2329 B13R1.75 CCOCc1ccc(cc1Cl)C#N 09995ac8a34a10c1510833736276f1a5 [0,2,0,0,0,0|1,0,1]=4 2330 B13R1.75 CCOCc1ccc(cc1Cl)OC 5ba124ef6f8225fe777f39500326f65a [0,2,0,0,0,0|2,0,0]=4 2331 B13R1.75 CCOCc1ccc(cc1F)C#N 3514cad44f8eac3876f587ff6fd43ca5 [0,2,0,0,0,0|1,0,1]=4 2332 B13R1.75 CCOCc1ccc(cc1F)OC c38a4c9e94e37e00fcd1f3c480ff1b8c [0,2,0,0,0,0|2,0,0]=4 2333 B13R1.75 CCc1ccc(c(c1)Br)OCCF 4e94241ae0105b6b7b75e93ded341a06 [0,2,0,0,0,0|1,0,1]=4 2334 B13R1.75 CCc1ccc(c(c1)Br)OCCS 9be9db02b2514c54b1791d3321470ca9 [0,2,0,0,0,0|1,0,1]=4 2335 B13R1.75 CCc1ccc(c(c1)Br)OCOC e6eb94912c79719a9382e844ffb62e6f [0,2,0,0,0,0|1,0,1]=4 2336 B13R1.75 CCc1ccc(c(c1)Br)OCSC bdb0eb28556964cd22896e41455dab74 [0,2,0,0,0,0|1,0,1]=4 2337 B13R1.75 CCc1ccc(c(c1)C)OCCF 780a59d9a51656c0f5ae1432661270e5 [0,2,0,0,0,0|1,0,1]=4 2338 B13R1.75 CCc1ccc(c(c1)C)OCCS 2177e3a8c40743a38fbfcdcf53ca5541 [0,2,0,0,0,0|1,0,1]=4 2339 B13R1.75 CCc1ccc(c(c1)C)OCOC 1dc81bb2faeb10f9f79104a7ceb00ab9 [0,2,0,0,0,0|1,0,1]=4 2340 B13R1.75 CCc1ccc(c(c1)C)OCSC c1606019a5f86372bded81dbe17a7c02 [0,2,0,0,0,0|1,0,1]=4 2341 B13R1.75 CCc1ccc(c(c1)Cl)OCCF 7cb73377dfb75fd3c472a5f3c1563583 [0,2,0,0,0,0|1,0,1]=4 2342 B13R1.75 CCc1ccc(c(c1)Cl)OCCS e9188334690bfcb21ea06fe8db95457d [0,2,0,0,0,0|1,0,1]=4 2343 B13R1.75 CCc1ccc(c(c1)Cl)OCOC 41629ddffcb91d476ea633b20a4eea95 [0,2,0,0,0,0|1,0,1]=4 2344 B13R1.75 CCc1ccc(c(c1)Cl)OCSC 87ff0fc9cfc2c8afb5925260b1ad9682 [0,2,0,0,0,0|1,0,1]=4 2345 B13R1.75 COCNc1ccc(cc1Br)C=O 7fa904e4c7748f8acda70f6c9b0331e5 [0,2,0,0,0,0|1,0,0]=3 2346 B13R1.75 COCNc1ccc(nc1C)C=O c3ff63e16fce7db4d8dab0122aae7a17 [0,2,0,0,0,0|2,0,0]=4 2347 B13R1.75 COCNc1ncc(cc1Br)C=O a7ac39a30b4bf8aba8d756260c22ee8e [0,2,0,0,0,0|2,0,0]=4 2348 B13R1.75 COCOc1ccc(cc1Br)C#N 25394b4eeb37f653f56c09ba2b13783e [0,2,0,0,0,0|1,0,1]=4 2349 B13R1.75 COCOc1ccc(cc1Br)C=O b39a6696089cbe8278b6bb2ed0030a9f [0,2,0,0,0,0|0,0,0]=2 2350 B13R1.75 COCOc1ccc(cc1Br)OC cba6436901fe5ff67e02c64f5552e61e [0,2,0,0,0,0|2,0,0]=4 2351 B13R1.75 COCOc1ccc(cc1C)C#N b7feb0829e065f1f804cca2f7f70a74d [0,2,0,0,0,0|1,0,1]=4 2352 B13R1.75 COCOc1ccc(cc1C)C=O 369a99ee127c0191296ac28948ea235e [0,2,0,0,0,0|0,0,0]=2 2353 B13R1.75 COCOc1ccc(cc1C)OC 3ce98d8d7e0e72e3ab4064dda7c599db [0,2,0,0,0,0|2,0,0]=4 2354 B13R1.75 COCOc1ccc(cc1C)SC 32bc9846611a1b7baad401811ab34bb2 [0,2,0,0,0,0|2,0,0]=4 2355 B13R1.75 COCOc1ccc(cc1Cl)C#N aa8f15f8859ce85f505a4ed189bb53a9 [0,2,0,0,0,0|1,0,1]=4 2356 B13R1.75 COCOc1ccc(cc1Cl)C=O c6350e0a4702ca5cf109135b7b53d564 [0,2,0,0,0,0|0,0,0]=2 2357 B13R1.75 COCOc1ccc(cc1Cl)OC 6ff8a7f55b744adec7645dc7b117edef [0,2,0,0,0,0|2,0,0]=4 2358 B13R1.75 COCOc1ccc(cc1F)C#N 7fee0fab1b89fc25a2be82ce8c84f1d0 [0,2,0,0,0,0|1,0,1]=4 2359 B13R1.75 COCOc1ccc(cc1F)C=O ab2fc415b445a9d6e3b24819be53036d [0,2,0,0,0,0|0,0,0]=2 2360 B13R1.75 COCOc1ccc(cc1F)OC 5e49d79f151a9cda5303a30180a546d0 [0,2,0,0,0,0|2,0,0]=4 2361 B13R1.75 COCOc1ccc(cc1I)C#N 25a0604588208eee16ee35c871886adb [0,2,0,0,0,0|1,0,1]=4 2362 B13R1.75 COCOc1ccc(cc1I)C=O 8074f7eea8f4ca788a36db42ad1c7594 [0,2,0,0,0,0|0,0,0]=2 2363 B13R1.75 COCOc1ccc(cc1I)OC d4179ef490ad5b942cd3a8c51e677544 [0,2,0,0,0,0|2,0,0]=4 2364 B13R1.75 COCOc1ccc(nc1Br)C=O 00d794d3a47cf340d60d56eab13fbe30 [0,2,0,0,0,0|1,0,0]=3 2365 B13R1.75 COCOc1ncc(cc1C)C=O 157b52fc0b5d697bf44218456838b661 [0,2,0,0,0,0|1,0,0]=3 2366 B13R1.75 COCOc1ncc(cc1Cl)C=O 480cbf1d0f1049bd04ae686127d32cd4 [0,2,0,0,0,0|1,0,0]=3 2367 B13R1.75 COCOc1ncc(cc1F)C=O 908f9f875a5eed1ca37965e9ab083caf [0,2,0,0,0,0|1,0,0]=3 2368 B13R1.75 COc1ccc(c(c1)Br)OCCF 05928ad7c075d9264c2b20c59653c799 [0,2,0,0,0,0|2,0,0]=4 2369 B13R1.75 COc1ccc(c(c1)Br)OCCS 299491efa19e595ddc6cb3207252909b [0,2,0,0,0,0|2,0,0]=4 2370 B13R1.75 COc1ccc(c(c1)Br)OCSC b4c4ac2d4c08aa8bd9497af42df75ddf [0,2,0,0,0,0|2,0,0]=4 2371 B13R1.75 COc1ccc(c(c1)C)OCCF fcf8450f900a294bd0f901668e702edd [0,2,0,0,0,0|2,0,0]=4 2372 B13R1.75 COc1ccc(c(c1)C)OCCS 1e76b68910a89b853737a2cf6045e54a [0,2,0,0,0,0|2,0,0]=4 2373 B13R1.75 COc1ccc(c(c1)C)OCSC 62967e8e72de4ca548d3fc75ed0fda1d [0,2,0,0,0,0|2,0,0]=4 2374 B13R1.75 COc1ccc(c(c1)Cl)OCCF 8341c48319cd7d79019ce3b0a1650231 [0,2,0,0,0,0|2,0,0]=4 2375 B13R1.75 COc1ccc(c(c1)Cl)OCCS d02111567bb2f5303de05ac1f16c8b3a [0,2,0,0,0,0|2,0,0]=4 2376 B13R1.75 COc1ccc(c(c1)Cl)OCSC 4e597c1b0260ab55d57f471b0cc3ff6b [0,2,0,0,0,0|2,0,0]=4 2377 B13R1.75 COc1ccc(c(c1)F)OCCF 28d9f65ddd35157d4094688e40216de9 [0,2,0,0,0,0|2,0,0]=4 2378 B13R1.75 COc1ccc(c(c1)F)OCCS 6455f81ca925e98135491de546ad9aa9 [0,2,0,0,0,0|2,0,0]=4 2379 B13R1.75 COc1ccc(c(c1)F)OCSC bd060b04785c6cf86a18518b62bee743 [0,2,0,0,0,0|2,0,0]=4 2380 B13R1.75 COc1ccc(c(c1)I)OCCF 97b6e73a2cb98b811118e453c7e31493 [0,2,0,0,0,0|2,0,0]=4 2381 B13R1.75 COc1ccc(c(c1)I)OCCS 3c6034ecce8a5e3cadfe6e0467bc7b84 [0,2,0,0,0,0|2,0,0]=4 2382 B13R1.75 COc1ccc(c(c1)I)OCSC 5d496b4f30675ad0dd6e82d76f625bec [0,2,0,0,0,0|2,0,0]=4 2383 B13R1.75 CSCNc1ccc(nc1C)C=O cbcf1b75b0a82b061113efad2e2383d0 [0,2,0,0,0,0|2,0,0]=4 2384 B13R1.75 CSCNc1ncc(cc1Br)C=O 9bbae4a6d5d3e7d48bdf0f1adbff0056 [0,2,0,0,0,0|2,0,0]=4 2385 B13R1.75 CSCOc1ccc(cc1Br)C#N e90eb0c40940777e94775a864a48db70 [0,2,0,0,0,0|1,0,1]=4 2386 B13R1.75 CSCOc1ccc(cc1Br)SC 0d373169841b92bc4d31e2f2a791ecd0 [0,2,0,0,0,0|2,0,0]=4 2387 B13R1.75 CSCOc1ccc(cc1C)C#N edc02b34f17d9ec0482b98b41e899576 [0,2,0,0,0,0|1,0,1]=4 2388 B13R1.75 CSCOc1ccc(cc1C)C=O beed488565e3076b318c150745ba0ae2 [0,2,0,0,0,0|0,0,0]=2 2389 B13R1.75 CSCOc1ccc(cc1C)SC 7a1a16808a21501b1e255a603eb6b559 [0,2,0,0,0,0|2,0,0]=4 2390 B13R1.75 CSCOc1ccc(cc1Cl)C#N cde1e31f248db16d8c7a91cdc188e419 [0,2,0,0,0,0|1,0,1]=4 2391 B13R1.75 CSCOc1ccc(cc1Cl)C=O 556c798c61feda1d20e87b0acd55a88a [0,2,0,0,0,0|0,0,0]=2 2392 B13R1.75 CSCOc1ccc(cc1F)C#N 3c7cd44aa9d121be67f9c7f641bfe3d7 [0,2,0,0,0,0|1,0,1]=4 2393 B13R1.75 CSCOc1ccc(cc1F)C=O a738f5605a3b26494ae0af2c2117df9d [0,2,0,0,0,0|0,0,0]=2 2394 B13R1.75 CSCOc1ccc(cc1I)C#N f01494a9234eb385350087b4e1b189c5 [0,2,0,0,0,0|1,0,1]=4 2395 B13R1.75 CSCOc1ccc(cc1I)C=O cff057775bf3310d1c53b5a7f8846651 [0,2,0,0,0,0|0,0,0]=2 2396 B13R1.75 CSCOc1ccc(nc1Br)C=O 7a477a42105773d9b874b06c6f8ca150 [0,2,0,0,0,0|1,0,0]=3 2397 B13R1.75 CSCOc1ncc(cc1C)C=O f0bb3ae915f8a7a500baef17f6f6e806 [0,2,0,0,0,0|1,0,0]=3 2398 B13R1.75 CSCOc1ncc(cc1Cl)C=O 26d9ba31cd3d254812c3047e73066c11 [0,2,0,0,0,0|1,0,0]=3 2399 B13R1.75 CSCOc1ncc(cc1F)C=O c5559a01e970c1452588e9111407f18f [0,2,0,0,0,0|1,0,0]=3 2400 B13R1.75 CSc1ccc(c(c1)Br)OCCF 62ebb2c6e303cbecf89019145af21b26 [0,2,0,0,0,0|2,0,0]=4 2401 B13R1.75 CSc1ccc(c(c1)Br)OCCS f8e4c273e7060e86f74dab173f15ba88 [0,2,0,0,0,0|2,0,0]=4 2402 B13R1.75 CSc1ccc(c(c1)C)OCCF d6a2ce2dfcc27604a48ab029bf8c6f39 [0,2,0,0,0,0|2,0,0]=4 2403 B13R1.75 CSc1ccc(c(c1)C)OCCS bf913df617d39b0f406dab6cce685963 [0,2,0,0,0,0|2,0,0]=4 2404 B13R1.75 Cc1cc(ccc1OCC#N)C=O 858d73cdbcd38d81929fe2550cd34cb1 [0,2,0,0,0,0|0,0,1]=3 2405 B13R1.75 Cc1cc(ccc1OCC=O)C=O 9d55c867c93e7bf85ed26219387e2e43 [0,2,0,0,0,0|0,0,1]=3 2406 B13R1.75 Cc1cc(ccc1OCCF)C#N 113114bd3221e0efdb1174f441fb8d0a [0,2,0,0,0,0|1,0,1]=4 2407 B13R1.75 Cc1cc(ccc1OCCF)C=O b8f2cb69b80f4d21003f7b7624034f63 [0,2,0,0,0,0|0,0,0]=2 2408 B13R1.75 Cc1cc(ccc1OCCS)C#N 26acde82edc827781be8c2e083c07003 [0,2,0,0,0,0|1,0,1]=4 2409 B13R1.75 Cc1cc(ccc1OCCS)C=O 2b300788b046469361da06610ae5c2d0 [0,2,0,0,0,0|0,0,0]=2 2410 B13R1.75 Cc1cc(cnc1NCCBr)C=O 95eafd10fb145a243e0ad6fdbc051dbb [0,2,0,0,0,0|2,0,0]=4 2411 B13R1.75 Cc1cc(cnc1NCCF)C=O 037c0cf342ae6f8fc337a75e0cd2833e [0,2,0,0,0,0|2,0,0]=4 2412 B13R1.75 Cc1cc(cnc1NCCI)C=O fc1a2de04187a4bd37df2f8f4930ad95 [0,2,0,0,0,0|2,0,0]=4 2413 B13R1.75 Cc1cc(cnc1NCCO)C=O 2a4f0224fcdfa082a358cf9e65dc35e6 [0,2,0,0,0,0|2,0,0]=4 2414 B13R1.75 Cc1cc(cnc1NCCS)C=O de8b00776e1a0f9f2500cfd6a006549b [0,2,0,0,0,0|2,0,0]=4 2415 B13R1.75 Cc1cc(cnc1OCC#N)C=O 4c1072a7b96bf87f143f22de5773a5df [0,2,0,0,0,0|1,0,1]=4 2416 B13R1.75 Cc1cc(cnc1OCC=O)C=O 818e2832d1c525c88d2d98de965edbef [0,2,0,0,0,0|1,0,1]=4 2417 B13R1.75 Cc1cc(cnc1OCCF)C=O 77bdee45522c0dc68d9a84c37922e2d0 [0,2,0,0,0,0|1,0,0]=3 2418 B13R1.75 Cc1cc(cnc1OCCS)C=O 05b24711279f4f03adc637d167784666 [0,2,0,0,0,0|1,0,0]=3 2419 B13R1.75 Cc1nc(ccc1NCCBr)C=O 2e95495a62517b18dd958c52d6e86433 [0,2,0,0,0,0|2,0,0]=4 2420 B13R1.75 Cc1nc(ccc1NCCF)C=O bc092fcf82978bd3f72b22de466ad5bc [0,2,0,0,0,0|2,0,0]=4 2421 B13R1.75 Cc1nc(ccc1NCCO)C=O 5d5f5723ea6d367ce96a93da64f9b6d4 [0,2,0,0,0,0|2,0,0]=4 2422 B13R1.75 Cc1nc(ccc1NCCS)C=O de1c3a9080f67e701591307a6fdaa17b [0,2,0,0,0,0|2,0,0]=4 2423 B13R1.75 N#CCNc1ccc(cc1Br)C=O 0dc22de8e49f207d5a90af809e0a054a [0,2,0,0,0,0|1,0,1]=4 2424 B13R1.75 N#CCOc1ccc(cc1Br)C=O fb2ee94256e08d4c96b3f49da97cce5e [0,2,0,0,0,0|0,0,1]=3 2425 B13R1.75 N#CCOc1ccc(cc1Cl)C=O 005da718b89360cbb4139841c3454d0e [0,2,0,0,0,0|0,0,1]=3 2426 B13R1.75 N#CCOc1ccc(cc1F)C=O 656f62d468fca579c84ca0e00b3a24d2 [0,2,0,0,0,0|0,0,1]=3 2427 B13R1.75 N#CCOc1ccc(cc1I)C=O 2b975f4039e749e81fe873ebc056a00e [0,2,0,0,0,0|0,0,1]=3 2428 B13R1.75 N#CCOc1ccc(nc1Br)C=O 1dd233be4394d3176bf555ba83ef7142 [0,2,0,0,0,0|1,0,1]=4 2429 B13R1.75 N#CCOc1ncc(cc1Cl)C=O 8b168f75aa160672d35734e4557c7855 [0,2,0,0,0,0|1,0,1]=4 2430 B13R1.75 N#CCOc1ncc(cc1F)C=O 40031c12b8e01d93cc1f1e022afd4b46 [0,2,0,0,0,0|1,0,1]=4 2431 B13R1.75 N#Cc1ccc(c(c1)Br)OCCF 1d4f966530f4fc2de9adcdc8e38a3a3f [0,2,0,0,0,0|1,0,1]=4 2432 B13R1.75 N#Cc1ccc(c(c1)Br)OCCS 10eb57975c60a79bc3a9221512695f77 [0,2,0,0,0,0|1,0,1]=4 2433 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCF 4d7db4bc10f238ec831daee1a144315b [0,2,0,0,0,0|1,0,1]=4 2434 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCS 72b47546831bb379376847f7f834c90f [0,2,0,0,0,0|1,0,1]=4 2435 B13R1.75 N#Cc1ccc(c(c1)F)OCCF 7e946fa0912d21336219527613d583d0 [0,2,0,0,0,0|1,0,1]=4 2436 B13R1.75 N#Cc1ccc(c(c1)F)OCCS 729e152715cbba2cc2ed178965f8e1c4 [0,2,0,0,0,0|1,0,1]=4 2437 B13R1.75 N#Cc1ccc(c(c1)I)OCCF aec1b3ee8bbdadb5724bd3aa89286e5d [0,2,0,0,0,0|1,0,1]=4 2438 B13R1.75 N#Cc1ccc(c(c1)I)OCCS 68997624d7a8817cfac02cecb31135d7 [0,2,0,0,0,0|1,0,1]=4 2439 B13R1.75 O=CCNc1ccc(cc1Br)C=O 98ecc222b3425eece9e96ce80462c2c9 [0,2,0,0,0,0|1,0,1]=4 2440 B13R1.75 O=CCOc1ccc(cc1Br)C=O b37b3d656929000db12574febb287a1e [0,2,0,0,0,0|0,0,1]=3 2441 B13R1.75 O=CCOc1ccc(cc1Cl)C=O 29d624c03a3a7a64dcb9ac1442267399 [0,2,0,0,0,0|0,0,1]=3 2442 B13R1.75 O=CCOc1ccc(cc1F)C=O 5763970ec5dd8efc087748a7f1b79ec6 [0,2,0,0,0,0|0,0,1]=3 2443 B13R1.75 O=CCOc1ccc(cc1I)C=O 6b8fbdda791f167d9c6f07fb8eea32fd [0,2,0,0,0,0|0,0,1]=3 2444 B13R1.75 O=CCOc1ccc(nc1Br)C=O 7b4f02f55a6292544a99d32ae5e31359 [0,2,0,0,0,0|1,0,1]=4 2445 B13R1.75 O=CCOc1ncc(cc1Cl)C=O 0332f3e8cd286197b81d3b14d0b731f3 [0,2,0,0,0,0|1,0,1]=4 2446 B13R1.75 O=CCOc1ncc(cc1F)C=O b1d423f91c93784616adef9e7960fdd8 [0,2,0,0,0,0|1,0,1]=4 2447 B13R1.75 O=Cc1ccc(c(c1)Br)NCCO d40ac461027aae145a8dfc37971620e4 [0,2,0,0,0,0|1,0,0]=3 2448 B13R1.75 O=Cc1ccc(c(c1)Br)NCCS 617f3d4648b0cdcff9aea51b8b33f55f [0,2,0,0,0,0|1,0,0]=3 2449 B13R1.75 O=Cc1ccc(c(c1)Br)OCCS 65da2e2d709504dc44303e242f4f49ab [0,2,0,0,0,0|0,0,0]=2 2450 B13R1.75 O=Cc1ccc(c(c1)Cl)OCCF 270114eed039fd9cafe336fb805471ce [0,2,0,0,0,0|0,0,0]=2 2451 B13R1.75 O=Cc1ccc(c(c1)Cl)OCCS 3af8c23418c2cb54ebb4dee2b3932463 [0,2,0,0,0,0|0,0,0]=2 2452 B13R1.75 O=Cc1ccc(c(c1)F)NCCO 22ef152f4785f5972c464ef486313a7d [0,2,0,0,0,0|1,0,0]=3 2453 B13R1.75 O=Cc1ccc(c(c1)F)OCCF d7e530bd47fa4151216bfdcb7e443bb4 [0,2,0,0,0,0|0,0,0]=2 2454 B13R1.75 O=Cc1ccc(c(c1)F)OCCS 69184f0390ae4645288b5f39e95bbf09 [0,2,0,0,0,0|0,0,0]=2 2455 B13R1.75 O=Cc1ccc(c(c1)I)OCCF ab2e2fdb52de1fd9e9ef6a4d47b6da08 [0,2,0,0,0,0|0,0,0]=2 2456 B13R1.75 O=Cc1ccc(c(c1)I)OCCS a958253d6d647de0d723206f4f742c6c [0,2,0,0,0,0|0,0,0]=2 2457 B13R1.75 O=Cc1ccc(c(n1)Br)OCCF aab8a8eea9f97bb082ba6a9f5a90b86b [0,2,0,0,0,0|1,0,0]=3 2458 B13R1.75 O=Cc1ccc(c(n1)Br)OCCS 2d069ee63b3dd766e2b0f8255176d24c [0,2,0,0,0,0|1,0,0]=3 2459 B13R1.75 O=Cc1ccc(c(n1)F)NCCBr 1bb3492979078d8b2694bf404b6a790f [0,2,0,0,0,0|2,0,0]=4 2460 B13R1.75 O=Cc1ccc(c(n1)F)NCCF 9e52dcd73d56899da5a4d4c7493c57d8 [0,2,0,0,0,0|2,0,0]=4 2461 B13R1.75 O=Cc1ccc(c(n1)F)NCCO e1d20e81a9441e2088072f2b11be334d [0,2,0,0,0,0|2,0,0]=4 2462 B13R1.75 O=Cc1ccc(c(n1)F)NCCS 2b6870a7de06787b36a390ed8716963b [0,2,0,0,0,0|2,0,0]=4 2463 B13R1.75 O=Cc1cnc(c(c1)Br)NCCF 17be2cabf29ab90813508a1037a3a1ae [0,2,0,0,0,0|2,0,0]=4 2464 B13R1.75 O=Cc1cnc(c(c1)Br)NCCO f9eb86986ec3b7cf787f00aa306fcbd1 [0,2,0,0,0,0|2,0,0]=4 2465 B13R1.75 O=Cc1cnc(c(c1)Br)NCCS 39ff955afa7e10f45301405dbe22db59 [0,2,0,0,0,0|2,0,0]=4 2466 B13R1.75 O=Cc1cnc(c(c1)Cl)OCCF ea45a105a05da893446e9b68aa036134 [0,2,0,0,0,0|1,0,0]=3 2467 B13R1.75 O=Cc1cnc(c(c1)Cl)OCCS d5bc0bf3115b1a4f849b69ba15f717b8 [0,2,0,0,0,0|1,0,0]=3 2468 B13R1.75 O=Cc1cnc(c(c1)F)NCCBr 66ec7757657a5d2edbe5b42eeaea139f [0,2,0,0,0,0|2,0,0]=4 2469 B13R1.75 O=Cc1cnc(c(c1)F)NCCF 31eb8ca7358d32767d6e4899d873ab33 [0,2,0,0,0,0|2,0,0]=4 2470 B13R1.75 O=Cc1cnc(c(c1)F)NCCI 0b77a29337cc54a807d0473c875b68f8 [0,2,0,0,0,0|2,0,0]=4 2471 B13R1.75 O=Cc1cnc(c(c1)F)NCCO 181ca778de951487793d61816ea25a9e [0,2,0,0,0,0|2,0,0]=4 2472 B13R1.75 O=Cc1cnc(c(c1)F)NCCS d9c6d180a182d167e194780a0d8e81e7 [0,2,0,0,0,0|2,0,0]=4 2473 B13R1.75 O=Cc1cnc(c(c1)F)OCCF 458fd8d2740c9e0ad9b51a9b7cb1f2b7 [0,2,0,0,0,0|1,0,0]=3 2474 B13R1.75 O=Cc1cnc(c(c1)F)OCCS 44b4ab895226ec7bdf05d18409dc6fd3 [0,2,0,0,0,0|1,0,0]=3 2475 B13R1.75 O=Cc1cnc(c(c1)O)NCCBr 7e66a4c8e4a9f84701a6057fd25fbccf [0,2,0,0,0,0|2,0,0]=4 2476 B13R1.75 O=Cc1cnc(c(c1)O)NCCF 2379ed3b6efff9c9b29bfec7cc6f0a80 [0,2,0,0,0,0|2,0,0]=4 2477 B13R1.75 O=Cc1cnc(c(c1)O)NCCI 0f7a7231c92d2cec0e93c4dbe4235a64 [0,2,0,0,0,0|2,0,0]=4 2478 B13R1.75 O=Cc1cnc(c(c1)O)NCCO bd6ad89cb559b4ecce7501265b3ebbe2 [0,2,0,0,0,0|2,0,0]=4 2479 B13R1.75 O=Cc1cnc(c(c1)O)NCCS 49af2c7a46556fe5dfda999827548c43 [0,2,0,0,0,0|2,0,0]=4 2480 B13R1.77 C#CCNc1ccc(cc1)OCC e999baa0776828708aa39518d367a8bc [0,2,0,0,0,0|1,0,1]=4 2481 B13R1.77 C#CCOc1ccc(cc1)CC=C ea0dffe660ba41d7aa00906e8eeb425b [0,2,0,0,0,0|1,0,1]=4 2482 B13R1.77 C#CCOc1ccc(cc1)CC=O d1b611d510fdf9c285637bdc40c1777a [0,2,0,0,0,0|0,0,1]=3 2483 B13R1.77 C#CCOc1ccc(cc1)NC=O c7cb97321381b3c0937d5c1f546eb9bb [0,2,0,0,0,0|0,0,1]=3 2484 B13R1.77 C#CCOc1ccc(cc1)OCC c213523b1fb6b42f2bb3fa5a4db077e8 [0,2,0,0,0,0|1,0,1]=4 2485 B13R1.77 C#CCc1ccc(cc1)COCC 336ce8cb4ce1887e28a52c3e8e8dbafd [0,2,0,0,0,0|1,0,1]=4 2486 B13R1.77 C#CCc1ccc(cc1)OCCC 0c89b4e29422de9d2c175d170da329cc [0,2,0,0,0,0|1,0,1]=4 2487 B13R1.77 C#CCc1ccc(cc1)OCCF d3bc66eaeaadf0c5574ccd3fd5225aa0 [0,2,0,0,0,0|1,0,1]=4 2488 B13R1.77 C#CCc1ccc(cc1)OCCS 7f54b0d2ddd3efe1f798e47db1a0711c [0,2,0,0,0,0|1,0,1]=4 2489 B13R1.77 C#CCc1ccc(cc1)OCOC 54da24b1107a4f114318822204de6e1e [0,2,0,0,0,0|1,0,1]=4 2490 B13R1.77 C#CCc1ccc(cc1)OCSC 55d35a2722c76afd62f891bf08e9b703 [0,2,0,0,0,0|1,0,1]=4 2491 B13R1.77 C=CCCc1ccc(cc1)OCC a2178d708dad6e384dd03790154b50ea [0,2,0,0,0,0|1,0,0]=3 2492 B13R1.77 C=CCCc1ccc(cc1)OCF b18dfb6a8fd158fdbc0857531bd6acf0 [0,2,0,0,0,0|2,0,0]=4 2493 B13R1.77 C=CCNc1ccc(cc1)CCC ab8f12e82a94dbbc0c04958df1ea26ff [0,2,0,0,0,0|2,0,0]=4 2494 B13R1.77 C=CCNc1ccc(cc1)OCC 9764297f99583ac7319e03251f76de7c [0,2,0,0,0,0|1,0,0]=3 2495 B13R1.77 C=CCNc1ccc(cc1)OCF 371d53fe4c769fe3d4503f47e88bf131 [0,2,0,0,0,0|2,0,0]=4 2496 B13R1.77 C=CCNc1ccc(cn1)OCC 12ac4069deb493cf3af3e13a2cbaae65 [0,2,0,0,0,0|2,0,0]=4 2497 B13R1.77 C=CCNc1ccc(nc1)OCC 6ff181be4dd8e03c9c90eafa1d932cf9 [0,2,0,0,0,0|2,0,0]=4 2498 B13R1.77 C=CCOc1ccc(cc1)CC=C 7563fecb36b3843d90e2a107a1573d4d [0,2,0,0,0,0|1,0,1]=4 2499 B13R1.77 C=CCOc1ccc(cc1)CC=O 866410ff39075ca2267f3654d7d969e3 [0,2,0,0,0,0|0,0,1]=3 2500 B13R1.77 C=CCOc1ccc(cc1)CCC d0e52fbdb23affe980829808e08e1c02 [0,2,0,0,0,0|2,0,0]=4 2501 B13R1.77 C=CCOc1ccc(cc1)NC=O 1afa163959eae4aa3dd8eb5f01509cfc [0,2,0,0,0,0|0,0,1]=3 2502 B13R1.77 C=CCOc1ccc(cc1)NCC e47f5456ac59d455bb47d81d9af0579a [0,2,0,0,0,0|2,0,0]=4 2503 B13R1.77 C=CCOc1ccc(cc1)OCC e9d5bd017066b959c7bf16ef0ffe8bf5 [0,2,0,0,0,0|1,0,0]=3 2504 B13R1.77 C=CCOc1ccc(cc1)OCF 5d67e4b5574a750ed3fd6d95b8ceb51d [0,2,0,0,0,0|2,0,0]=4 2505 B13R1.77 C=CCOc1ccc(cc1)SCC a63e9ab4729b2bf4f34a26a1c223ff27 [0,2,0,0,0,0|1,1,0]=4 2506 B13R1.77 C=CCOc1ccc(nc1)OCC 1f3708fa0fa7059092096f21ad34e989 [0,2,0,0,0,0|2,0,0]=4 2507 B13R1.77 C=CCc1ccc(cc1)NCCBr ed06768dc171f080ff7746600b7e6a9e [0,2,0,0,0,0|2,0,0]=4 2508 B13R1.77 C=CCc1ccc(cc1)NCCC b19e8134e99af6cadc3ffe772c566ec4 [0,2,0,0,0,0|2,0,0]=4 2509 B13R1.77 C=CCc1ccc(cc1)NCCF 28d95fd06bbd9b563d41d3db7b19f7bd [0,2,0,0,0,0|2,0,0]=4 2510 B13R1.77 C=CCc1ccc(cc1)NCCI f0947a9669936fcefe1b8f3a32811c37 [0,2,0,0,0,0|2,0,0]=4 2511 B13R1.77 C=CCc1ccc(cc1)NCCO cf57c34a7b78afa15e8097b92f9a221b [0,2,0,0,0,0|2,0,0]=4 2512 B13R1.77 C=CCc1ccc(cc1)NCCS 38b02f8b437f43f51b2866325365719b [0,2,0,0,0,0|2,0,0]=4 2513 B13R1.77 C=CCc1ccc(cc1)NCOC c5d5cc8c863772142c5dba6b33e140d4 [0,2,0,0,0,0|2,0,0]=4 2514 B13R1.77 C=CCc1ccc(cc1)NCSC 0c984dc283f148015e6dc6b983f05083 [0,2,0,0,0,0|2,0,0]=4 2515 B13R1.77 C=CCc1ccc(cc1)OCC#N 87b580075aff24cc925615bbcff7cc8c [0,2,0,0,0,0|1,0,1]=4 2516 B13R1.77 C=CCc1ccc(cc1)OCC=O 4eca52b63c7394415a34609f63a55fbd [0,2,0,0,0,0|1,0,1]=4 2517 B13R1.77 C=CCc1ccc(cc1)OCCC 6ef64ea209313e7dad11797f3be3d8ac [0,2,0,0,0,0|1,0,0]=3 2518 B13R1.77 C=CCc1ccc(cc1)OCCF 52e142f7e2988d2360acdf6f395d7abf [0,2,0,0,0,0|1,0,0]=3 2519 B13R1.77 C=CCc1ccc(cc1)OCCS abf67bcc6a566b48b0111943b6da65ec [0,2,0,0,0,0|1,0,0]=3 2520 B13R1.77 C=CCc1ccc(cc1)OCOC 9d0571c06fe57ccd511f8988b11e5f14 [0,2,0,0,0,0|1,0,0]=3 2521 B13R1.77 C=CCc1ccc(cc1)OCSC fe6bf0eb86d8da42873a5dd8e792562c [0,2,0,0,0,0|1,0,0]=3 2522 B13R1.77 C=COc1ccc(cc1)COCC 5f15455ee800755bed98ac017e2414b4 [0,2,0,0,0,0|1,0,0]=3 2523 B13R1.77 C=COc1ccc(cc1)COCF 3ab4d7b150d2bed92df645be9ebf135e [0,2,0,0,0,0|2,0,0]=4 2524 B13R1.77 C=COc1ccc(cc1)NCCI 6a8d028951bdee551c0f7f2bd2d6e051 [0,2,0,0,0,0|2,0,0]=4 2525 B13R1.77 C=COc1ccc(cc1)NCCO 5e83f50c7e80e417fb3435098d2f07c7 [0,2,0,0,0,0|2,0,0]=4 2526 B13R1.77 C=COc1ccc(cc1)NCCS cb67c52171d3b5a60a2ae2cb4510086b [0,2,0,0,0,0|2,0,0]=4 2527 B13R1.77 CCCCc1ccc(cc1)NC=O d3e3e5b9c22c0a083a324ef77935f34e [0,2,0,0,0,0|1,0,0]=3 2528 B13R1.77 CCCCc1ccc(cc1)OCC 747ca328e093f103f21b4fe8fa01e74c [0,2,0,0,0,0|1,0,1]=4 2529 B13R1.77 CCCNc1ccc(cc1)CC=O 010c3a4e679d81bdaee22a10403ef190 [0,2,0,0,0,0|1,0,0]=3 2530 B13R1.77 CCCNc1ccc(cc1)NC=O 0c5cb2a019f33e517bfdf34b4282bb6f [0,2,0,0,0,0|1,0,0]=3 2531 B13R1.77 CCCNc1ccc(cc1)OCC 7bd7b91a14d8c5ee8e771eebad1c536e [0,2,0,0,0,0|1,0,1]=4 2532 B13R1.77 CCCOc1ccc(cc1)CC#N 1cb702313b3bca938c7fbd4ddcd2a2c4 [0,2,0,0,0,0|1,0,1]=4 2533 B13R1.77 CCCOc1ccc(cc1)CC=O 55d9e6ebc77ab5681bd1a76124399f6d [0,2,0,0,0,0|0,0,0]=2 2534 B13R1.77 CCCOc1ccc(cc1)CCC f95fcb4c98da199ff6f4109ef485f690 [0,2,0,0,0,0|1,0,1]=4 2535 B13R1.77 CCCOc1ccc(cc1)CCF 5d640b38416e16bf14941cf3950067e2 [0,2,0,0,0,0|1,0,1]=4 2536 B13R1.77 CCCOc1ccc(cc1)COC 07e8206ea9a412c5ca73af3b3ce5c147 [0,2,0,0,0,0|0,0,2]=4 2537 B13R1.77 CCCOc1ccc(cc1)NC#N f1a879529754507f949540123628e0a6 [0,2,0,0,0,0|1,0,1]=4 2538 B13R1.77 CCCOc1ccc(cc1)NC=O 10941f62cdc3189343ec4ec61f19c53c [0,2,0,0,0,0|0,0,0]=2 2539 B13R1.77 CCCOc1ccc(cc1)NCC f5522ad8d61376d6042ebf9e3809099b [0,2,0,0,0,0|1,0,1]=4 2540 B13R1.77 CCCOc1ccc(cc1)NCF 47aec803e70b0a50b3d3c9aca276d9da [0,2,0,0,0,0|1,0,1]=4 2541 B13R1.77 CCCOc1ccc(cc1)NCO e40e778c52137109dce3f9f186ee5956 [0,2,0,0,0,0|0,0,2]=4 2542 B13R1.77 CCCOc1ccc(cc1)OCC 05168cee22117dfc2b9eb7ac9db2e1df [0,2,0,0,0,0|1,0,1]=4 2543 B13R1.77 CCCOc1ccc(cc1)OCF 1096b7e6b571a60badfc670448eba4cd [0,2,0,0,0,0|1,0,1]=4 2544 B13R1.77 CCCOc1ccc(cc1)SCC 6c06a2fdf760bb215f7e2f385feff28a [0,2,0,0,0,0|1,0,1]=4 2545 B13R1.77 CCCOc1ccc(nn1)NC=O b27a19ab0f392f0f6ccbf181fd42945c [0,2,0,0,0,0|2,0,0]=4 2546 B13R1.77 CCCOc1ncc(cn1)NC=O 39c2a2141a1fbf9973dbd7b847fa9150 [0,2,0,0,0,0|2,0,0]=4 2547 B13R1.77 CCCSc1ccc(cc1)OCC 78cc0907e1bc8a156c69520b1b58ff1e [0,2,0,0,0,0|1,0,1]=4 2548 B13R1.77 CCCc1ccc(cc1)CNC=O 842faaa658c70b99fb931ed3fa48e489 [0,2,0,0,0,0|1,0,0]=3 2549 B13R1.77 CCCc1ccc(cc1)NCC=O b4b54e46508217eefba78d6aad215a3f [0,2,0,0,0,0|1,0,0]=3 2550 B13R1.77 CCCc1ccc(cc1)OCC=O a55c0e222bc736e09bda630e5aef51ae [0,2,0,0,0,0|1,0,0]=3 2551 B13R1.77 CCCc1ccc(cc1)OCCF 30ab945458449c7ba797e8a20041a938 [0,2,0,0,0,0|1,0,1]=4 2552 B13R1.77 CCCc1ccc(cc1)OCSC 879c46792a7460717d58484d833618c9 [0,2,0,0,0,0|1,0,1]=4 2553 B13R1.77 CCNCc1ccc(cc1)OCC 1ae16c0c9464b73f17e002d0343d3e24 [0,2,0,0,0,0|1,0,1]=4 2554 B13R1.77 CCNc1ccc(cc1)OCCCl 3b66fdd5c6a2e7ca3056c31e7c97c18e [0,2,0,0,0,0|1,0,1]=4 2555 B13R1.77 CCNc1ccc(cc1)OCCF 97d4140fc953be09f6a059853800acb4 [0,2,0,0,0,0|1,0,1]=4 2556 B13R1.77 CCNc1ccc(cc1)OCCO cb344ad83b129181c52f06aa68bad6e5 [0,2,0,0,0,0|1,0,1]=4 2557 B13R1.77 CCOCc1ccc(cc1)CC#N c7ea89597412613c9c4fb0580de12bc6 [0,2,0,0,0,0|1,0,1]=4 2558 B13R1.77 CCOCc1ccc(cc1)COC 5ce4b5d1a8887e75b2626989237c4db9 [0,2,0,0,0,0|0,0,2]=4 2559 B13R1.77 CCOCc1ccc(cc1)OCC ac96f7972e126aa3ad5388597e3139c0 [0,2,0,0,0,0|0,0,2]=4 2560 B13R1.77 CCOCc1ccc(cc1)OCF ca086ee0e050000fd9cad5f94d28ba08 [0,2,0,0,0,0|1,0,1]=4 2561 B13R1.77 CCOCc1ccc(cc1)SCC 0a4beaf323e1caad17faeea6ac79b771 [0,2,0,0,0,0|1,0,1]=4 2562 B13R1.77 CCOc1ccc(cc1)/C=C/C=O 6eeaf384a49c25876d6bb46c1c0efdfc [0,2,0,0,0,0|0,0,0]=2 2563 B13R1.77 CCOc1ccc(cc1)CCC#N 1cf8a5ffffab40f1c9d418c992a3656d [0,2,0,0,0,0|1,0,1]=4 2564 B13R1.77 CCOc1ccc(cc1)CCC=O b379594cbce28fad2606cff6b30f6f30 [0,2,0,0,0,0|0,0,0]=2 2565 B13R1.77 CCOc1ccc(cc1)CCOC 7878c3f973763652d7216793baeb2db5 [0,2,0,0,0,0|0,0,2]=4 2566 B13R1.77 CCOc1ccc(cc1)CNC#N ef6203a943f4a81a6063753d2eda44ac [0,2,0,0,0,0|1,0,1]=4 2567 B13R1.77 CCOc1ccc(cc1)CNC=O 0e0ed90d119f75f02ef28481e0633c0d [0,2,0,0,0,0|0,0,0]=2 2568 B13R1.77 CCOc1ccc(cc1)CNCF c5b17f247fe11c6061f5f8f3b1205571 [0,2,0,0,0,0|1,0,1]=4 2569 B13R1.77 CCOc1ccc(cc1)CNCO bb79f77065727e393beb015d4516b335 [0,2,0,0,0,0|0,0,2]=4 2570 B13R1.77 CCOc1ccc(cc1)COCF 0f552afa6258318c4d5fa9db86aaf6f4 [0,2,0,0,0,0|0,0,2]=4 2571 B13R1.77 CCOc1ccc(cc1)NCC#N c54eae31bd848f425e2e5375ddd70c64 [0,2,0,0,0,0|1,0,1]=4 2572 B13R1.77 CCOc1ccc(cc1)NCC=O 137717a27a48a040f3e2938b8dab68db [0,2,0,0,0,0|0,0,0]=2 2573 B13R1.77 CCOc1ccc(cc1)NCCF 4bc9864044ad11c1420a40e3cd27868a [0,2,0,0,0,0|1,0,1]=4 2574 B13R1.77 CCOc1ccc(cc1)NCCI 5abee51e096284de85c8352b4b0a0d9c [0,2,0,0,0,0|1,0,1]=4 2575 B13R1.77 CCOc1ccc(cc1)NCCO b48dcf7ad8d70a170b833f794463bf9e [0,2,0,0,0,0|0,0,2]=4 2576 B13R1.77 CCOc1ccc(cc1)NCCS 42aec664a7d4040497bf0275af4b43ba [0,2,0,0,0,0|0,1,1]=4 2577 B13R1.77 CCOc1ccc(cc1)NCOC ec28fdf9e118b1549465155b55abcda2 [0,2,0,0,0,0|0,0,2]=4 2578 B13R1.77 CCOc1ccc(cc1)NCSC 1faba4435dab7d4da32075a75b22bece [0,2,0,0,0,0|0,1,1]=4 2579 B13R1.77 CCOc1ccc(cc1)OCC#N cca0ea5b36d034533d342cd9e641d99e [0,2,0,0,0,0|1,0,1]=4 2580 B13R1.77 CCOc1ccc(cc1)OCC=O 81207fd88aef16af24bab2ea926eee61 [0,2,0,0,0,0|0,0,0]=2 2581 B13R1.77 CCOc1ccc(cc1)OCCF 7df419943fa7e30295e3be5eb8c96b84 [0,2,0,0,0,0|1,0,1]=4 2582 B13R1.77 CCOc1ccc(cc1)OCCS 2dd972fbf82abefc404ecb1647e6d119 [0,2,0,0,0,0|0,1,1]=4 2583 B13R1.77 CCOc1ccc(cc1)OCOC 97fc6a2fcd12d4e502e799a5bd54ec49 [0,2,0,0,0,0|0,0,2]=4 2584 B13R1.77 CCOc1ccc(cc1)OCSC 1564a062e106efa597b867d9b9032881 [0,2,0,0,0,0|0,1,1]=4 2585 B13R1.77 CCOc1ccc(cn1)CNC=O 7a896d2118fcbb6df96a4ba7cc4fe328 [0,2,0,0,0,0|1,0,0]=3 2586 B13R1.77 CCOc1ccc(cn1)NCC=O 34cdd65e269c39774b3c8ae51091e8c9 [0,2,0,0,0,0|1,0,0]=3 2587 B13R1.77 CCOc1ccc(cn1)OCC=O 19d4b8d526eacbf9e237fe0158c23130 [0,2,0,0,0,0|1,0,0]=3 2588 B13R1.77 CCOc1ccc(nc1)NCC=O 68ca34ee6d60ed8e4f11214b306c652f [0,2,0,0,0,0|1,0,0]=3 2589 B13R1.77 CCOc1ccc(nn1)NCC=O 690155bf5a234a61177bab896d2cf78b [0,2,0,0,0,0|2,0,0]=4 2590 B13R1.77 CCOc1cnc(cn1)NCC=O c0176837ff42026bfa4a7c702bef6861 [0,2,0,0,0,0|2,0,0]=4 2591 B13R1.77 CCOc1cnc(nc1)NCC=O ee2794c65686fd476314eb04fa102709 [0,2,0,0,0,0|2,0,0]=4 2592 B13R1.77 CCOc1ncc(cn1)NCC=O a9af97e1dbedbb560d7f725a1496531a [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.77 CCSc1ccc(cc1)OCC=O d1ea7ccef7c9c679a4877298659375f1 [0,2,0,0,0,0|0,1,0]=3 2594 B13R1.77 CCSc1ccc(cc1)OCCF 8a8db18d5324a9279a82b57cf73e1b11 [0,2,0,0,0,0|1,0,1]=4 2595 B13R1.77 CCSc1ccc(cc1)OCCS e9a3bab03bdc95e9e0dd0da2933c78d7 [0,2,0,0,0,0|1,0,1]=4 2596 B13R1.77 CCSc1ccc(cc1)OCOC 9817d566996bdc150fbc446fbfaf32ee [0,2,0,0,0,0|1,0,1]=4 2597 B13R1.77 CCSc1ccc(cc1)OCSC 3f170f9db5770a41849af93d582c7ea6 [0,2,0,0,0,0|1,0,1]=4 2598 B13R1.77 COCOc1ccc(cc1)CC#N c2c0d51c7a3c9721d856ff16241dd5dd [0,2,0,0,0,0|1,0,1]=4 2599 B13R1.77 COCOc1ccc(cc1)CC=O 7a3709845e26fca77207edfa9d19edf5 [0,2,0,0,0,0|0,0,0]=2 2600 B13R1.77 COCOc1ccc(cc1)CCF 32f44791ddb7281692856033b0c3352c [0,2,0,0,0,0|1,0,1]=4 2601 B13R1.77 COCOc1ccc(cc1)COC 67c7be74fad4649a042087c13beba939 [0,2,0,0,0,0|0,0,2]=4 2602 B13R1.77 COCOc1ccc(cc1)NC=O 321675bf8418bd7749caf8ebc34d7525 [0,2,0,0,0,0|0,0,0]=2 2603 B13R1.77 COCOc1ccc(cc1)OCF 773add96be5eafa8c47b3d7c5037ab5d [0,2,0,0,0,0|1,0,1]=4 2604 B13R1.77 COCc1ccc(cc1)CNC=O d7f7cd0ee0e27c5ae94a82a1a0ad8f35 [0,2,0,0,0,0|2,0,0]=4 2605 B13R1.77 COCc1ccc(cc1)NCC=O 8fc3262b6503b06239e1289e3b1957a6 [0,2,0,0,0,0|2,0,0]=4 2606 B13R1.77 COCc1ccc(cc1)OCC=O 8e9ec5bcc9d941553174184d2dbdfa95 [0,2,0,0,0,0|2,0,0]=4 2607 B13R1.77 COCc1ccc(cc1)OCCF a36921e0fcaf38721efd65024a515cbb [0,2,0,0,0,0|0,0,2]=4 2608 B13R1.77 COCc1ccc(cc1)OCCS 9fc41ee378587c7420b5dab4326abc2f [0,2,0,0,0,0|0,0,2]=4 2609 B13R1.77 COCc1ccc(cc1)OCSC be45120b34fe6e173df6bb3e6254648d [0,2,0,0,0,0|0,0,2]=4 2610 B13R1.77 CSCCc1ccc(cc1)NC=O 9f93fe80dacd0d6bc35a2493c081e5f8 [0,2,0,0,0,0|1,0,0]=3 2611 B13R1.77 CSCOc1ccc(cc1)CC#N fa2270bb540e0f5df82a5a35f2a9e34a [0,2,0,0,0,0|1,0,1]=4 2612 B13R1.77 CSCOc1ccc(cc1)CC=O d3806c7f6835c343b9ca2621a50afd5e [0,2,0,0,0,0|0,0,0]=2 2613 B13R1.77 CSCOc1ccc(cc1)CCF 8aaa6e2874ecb7b9047e142a20c97774 [0,2,0,0,0,0|1,0,1]=4 2614 B13R1.77 CSCOc1ccc(cc1)NC=O d83008533bd9b10bb856cd9de739eb48 [0,2,0,0,0,0|0,0,0]=2 2615 B13R1.77 CSCc1ccc(cc1)NCC=O 29624752f7b739054454229ef11babaf [0,2,0,0,0,0|2,0,0]=4 2616 B13R1.77 FCCOc1ccc(cc1)CCF a4f3fa2124676f2763245f65dfe9c3f2 [0,2,0,0,0,0|1,0,1]=4 2617 B13R1.77 FCCOc1ccc(cc1)NCF adbfcc70b6f25702719d78a6f236c9f4 [0,2,0,0,0,0|1,0,1]=4 2618 B13R1.77 FCCc1ccc(cc1)OCCS fedcde12e9cb1d2a012bada39b8a2cfb [0,2,0,0,0,0|1,0,1]=4 2619 B13R1.77 FCNc1ccc(cc1)OCCCl 6d023793738cbd5af478ea81181f9824 [0,2,0,0,0,0|1,0,1]=4 2620 B13R1.77 N#CCCc1ccc(cc1)NC=O 5bb406242905a29c3b1fea259c87ecef [0,2,0,0,0,0|1,0,1]=4 2621 B13R1.77 N#CCNc1ccc(cc1)CC=O 8338286eda1f9fa81995dba48915f262 [0,2,0,0,0,0|1,0,1]=4 2622 B13R1.77 N#CCNc1ccc(cc1)NC=O 16aacaa849f727202819f21cb3c3a131 [0,2,0,0,0,0|1,0,1]=4 2623 B13R1.77 N#CCOc1ccc(cc1)CC=O 5cabed29201a77521c64d7986efebbf7 [0,2,0,0,0,0|0,0,1]=3 2624 B13R1.77 N#CCOc1ccc(cc1)NC=O 532c90ed7b80dcebcf4996eaa56b93c9 [0,2,0,0,0,0|0,0,1]=3 2625 B13R1.77 N#CCSc1ccc(cc1)NC=O 31dfd5eefc9c5def0279d68a83b66c66 [0,2,0,0,0,0|0,1,1]=4 2626 B13R1.77 N#CCc1ccc(cc1)OCCF 087327e4cc9159cf98123515a1b344db [0,2,0,0,0,0|1,0,1]=4 2627 B13R1.77 N#CCc1ccc(cc1)OCCS b889b4ed645123a3ba2e0d662a11d9d0 [0,2,0,0,0,0|1,0,1]=4 2628 B13R1.77 N#CNc1ccc(cc1)OCCO 1e4903c46d7ca1bfb977e541830e6b82 [0,2,0,0,0,0|1,0,1]=4 2629 B13R1.77 O=C/C=C/c1ccc(cc1)OCF f4cb8d615168bcdadf75146c95560bbf [0,2,0,0,0,0|1,0,0]=3 2630 B13R1.77 O=CCCc1ccc(cc1)OCF 008470cc78d677be29b7766749413f65 [0,2,0,0,0,0|1,0,0]=3 2631 B13R1.77 O=CCNc1ccc(cc1)CCBr 1054f27e5805002414f582f94439fdce [0,2,0,0,0,0|2,0,0]=4 2632 B13R1.77 O=CCNc1ccc(cc1)CCO 757f9d4bb110566b63eb1020efe3abf5 [0,2,0,0,0,0|2,0,0]=4 2633 B13R1.77 O=CCNc1ccc(cc1)OCF 954a5bee98f720d6bc5935ac4e9e14ba [0,2,0,0,0,0|1,0,0]=3 2634 B13R1.77 O=CCOc1ccc(cc1)CC=O 6bf0fc8188c488a7d490f2b6dac1b7b2 [0,2,0,0,0,0|0,0,1]=3 2635 B13R1.77 O=CCOc1ccc(cc1)CCF 9536aa5340c98e9e71478e20b283a0df [0,2,0,0,0,0|2,0,0]=4 2636 B13R1.77 O=CCOc1ccc(cc1)NC=O 1f79b314cb3f1bb0c5c4aafb27104745 [0,2,0,0,0,0|0,0,1]=3 2637 B13R1.77 O=CCc1ccc(cc1)NCCBr 6eff611c08199687e94a64dfa43cbf2d [0,2,0,0,0,0|1,0,0]=3 2638 B13R1.77 O=CCc1ccc(cc1)NCCF d13904bf7bf04ad1455e9a8660b6a34a [0,2,0,0,0,0|1,0,0]=3 2639 B13R1.77 O=CCc1ccc(cc1)NCCI 955e385762c9563549cb0f732a63e249 [0,2,0,0,0,0|1,0,0]=3 2640 B13R1.77 O=CCc1ccc(cc1)NCCO 292d4919a6b2a93c5cb2ef2a9894e35b [0,2,0,0,0,0|1,0,0]=3 2641 B13R1.77 O=CCc1ccc(cc1)NCCS f5f17fb6af5f019c35648b37d82af7c0 [0,2,0,0,0,0|1,0,0]=3 2642 B13R1.77 O=CCc1ccc(cc1)OCCF 8d102af81bb84b3d624cb3f68b8bf0ac [0,2,0,0,0,0|0,0,0]=2 2643 B13R1.77 O=CCc1ccc(cc1)OCCS 75a5137457336836215e1fb204a6cb23 [0,2,0,0,0,0|0,0,0]=2 2644 B13R1.77 O=CNCc1ccc(cc1)CCO 355b9df8f8f06a0ab82a4e85bf40aa51 [0,2,0,0,0,0|2,0,0]=4 2645 B13R1.77 O=CNc1ccc(cc1)CCCO 512f8be67d8157c92b17a0fef30a7a8f [0,2,0,0,0,0|1,0,0]=3 2646 B13R1.77 O=CNc1ccc(cc1)NCCBr 606e21cd5f169a31c29ac07cd25f343c [0,2,0,0,0,0|1,0,0]=3 2647 B13R1.77 O=CNc1ccc(cc1)NCCF 78f3645cff2f60af86d83acf2ed9dd4f [0,2,0,0,0,0|1,0,0]=3 2648 B13R1.77 O=CNc1ccc(cc1)NCCI ab08abcca3c7b69463a92daa9d3a071f [0,2,0,0,0,0|1,0,0]=3 2649 B13R1.77 O=CNc1ccc(cc1)NCCO debc4bcd4b33b0c41b2b6cc4883b63f4 [0,2,0,0,0,0|1,0,0]=3 2650 B13R1.77 O=CNc1ccc(cc1)NCCS 3b61f52cedca78e062aa2ac865d00ee8 [0,2,0,0,0,0|1,0,0]=3 2651 B13R1.77 O=CNc1ccc(cc1)OCCCl e9fd962bab7f44d825f896c108a3a761 [0,2,0,0,0,0|0,0,0]=2 2652 B13R1.77 O=CNc1ccc(cc1)OCCF 49bb97e949346c86acc01bbb58c42c1a [0,2,0,0,0,0|0,0,0]=2 2653 B13R1.77 O=CNc1ccc(cc1)OCCO a0357f6807696623eb7a8db6ec6dc84b [0,2,0,0,0,0|0,0,0]=2 2654 B13R1.77 O=CNc1ccc(cc1)OCCS bccca7feab52a1121f9b4bb79baaf08d [0,2,0,0,0,0|0,0,0]=2 2655 B13R1.77 O=CNc1ccc(nc1)OCCO 93fac178f79dec8ee4bf4524bce34e21 [0,2,0,0,0,0|1,0,0]=3 2656 B13R1.77 O=CNc1cnc(nc1)OCCO 29ed4d9bae764dbc19dfab6b2169a80b [0,2,0,0,0,0|2,0,0]=4 2657 B13R1.77 O=S=Nc1ccc(cc1)NCCBr 010cb72359a8fda2ba2c2ffd723fc06f [0,2,0,0,0,0|2,0,0]=4 2658 B13R1.77 O=S=Nc1ccc(cc1)NCCF dd038ea8427f3ae3d20605d2fb4ebe6a [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.77 O=S=Nc1ccc(cc1)NCCI c0534dff2880b1000ddb297283967dcd [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.77 O=S=Nc1ccc(cc1)NCCO 1cf6c231b9140e738a768c0adfc38098 [0,2,0,0,0,0|2,0,0]=4 2661 B13R1.77 O=S=Nc1ccc(cc1)NCCS f57aad1131d40b54479230d9780ee7a9 [0,2,0,0,0,0|2,0,0]=4 2662 B13R1.77 OCCOc1ccc(cc1)NCF 1967f018f531bb952b29ed41163008ef [0,2,0,0,0,0|1,0,1]=4 2663 B13R1.77 OCCOc1ccc(cc1)NCO a6655d1c81784d73c33a21b6d26c8aae [0,2,0,0,0,0|0,0,2]=4 2664 B13R1.77 OCNc1ccc(cc1)OCCCl 385d03e8f6cd3baaf08e0bffd4a82221 [0,2,0,0,0,0|0,0,2]=4 2665 B13R1.77 OCNc1ccc(cc1)OCCF 40261a66c8123f3802364f7e8bfc1fa1 [0,2,0,0,0,0|0,0,2]=4 2666 B13R1.371 C#CCCNc1ccc(cc1)C=C 2035385fb506def7e52b8b41771968d3 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.371 C#CCCNc1ccc(cc1)C=O f7cba1b37a588555bffcdc978f055ce7 [0,2,0,0,0,0|1,0,0]=3 2668 B13R1.371 C#CCCNc1ccc(cn1)C=O 611c97c0727449aa93130cc9016536a4 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.371 C#CCCNc1ccc(nc1)C=O 62b0b200f16d2c4575663c5067897da8 [0,2,0,0,0,0|2,0,0]=4 2670 B13R1.371 C#CCCOc1ccc(cc1)C#C 2d059d6849fe2e562b7d82e8be367e2b [0,2,0,0,0,0|1,0,1]=4 2671 B13R1.371 C#CCCOc1ccc(cc1)C#N ea3a4421029286134f3b8b823a5381ca [0,2,0,0,0,0|1,0,1]=4 2672 B13R1.371 C#CCCOc1ccc(cc1)C=C 3e0c561eca756132944e851fa26b52ba [0,2,0,0,0,0|1,0,0]=3 2673 B13R1.371 C#CCCOc1ccc(cc1)C=O 585b557e36f47149538c3bc30245b81a [0,2,0,0,0,0|0,0,0]=2 2674 B13R1.371 C#CCCOc1ccc(cc1)CC 8fd8693b5e38e42602f09554db4cd8b4 [0,2,0,0,0,0|1,0,1]=4 2675 B13R1.371 C#CCCOc1ccc(cc1)N=O 334ce8c63d20cbb89af9e967d69c2198 [0,2,0,0,0,0|1,0,0]=3 2676 B13R1.371 C#CCCOc1ccc(cc1)OC 5c431cb6153299ecc4f82e1f7ba27468 [0,2,0,0,0,0|2,0,0]=4 2677 B13R1.371 C#CCCOc1ccc(cc1)SC a0e9fb27026734058317489f1d10252e [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.371 C#CCCOc1ccc(cn1)C=O 0e23ece18f9be7c7c0e6aff210ad578d [0,2,0,0,0,0|1,0,0]=3 2679 B13R1.371 C#CCCOc1ccc(nc1)C=O 8363d21b0e134561e9f45dcbe7a8d617 [0,2,0,0,0,0|1,0,0]=3 2680 B13R1.371 C#CCCOc1ccc(nn1)C=O b3399086dd5256a53fe88c109aa3205a [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.371 C#CCCOc1ncc(cn1)C=O 174fd7e87a9540b07918f2872633b4dc [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.371 C#CCNCc1ccc(cc1)C=O e6e42273a24d7ace5ddf660519dbd1a9 [0,2,0,0,0,0|1,0,1]=4 2683 B13R1.371 C#CCOCc1ccc(cc1)C=C edc4303b5612d80e5d4df4fba65ccb2e [0,2,0,0,0,0|1,0,1]=4 2684 B13R1.371 C#CCOCc1ccc(cc1)C=O 1fd4326267661d2e2407aff49c38aacc [0,2,0,0,0,0|0,0,1]=3 2685 B13R1.371 C#CCOCc1ccc(nc1)C=O 157ab5ee00493801c9401638d08bd7bc [0,2,0,0,0,0|1,0,1]=4 2686 B13R1.371 C#Cc1ccc(cc1)COCCC 77760a109054b2ee26ff03cfbd977785 [0,2,0,0,0,0|1,0,1]=4 2687 B13R1.371 C#Cc1ccc(cc1)COCCF 43f0532fecb74b8cef8df36f8085f2f9 [0,2,0,0,0,0|1,0,1]=4 2688 B13R1.371 C#Cc1ccc(cc1)COCCS 4368c3dab553b2e4b506e686cfbedeaf [0,2,0,0,0,0|1,0,1]=4 2689 B13R1.371 C#Cc1ccc(cc1)COCOC aa2b274fcfb286dd755810a090f44e0d [0,2,0,0,0,0|1,0,1]=4 2690 B13R1.371 C#Cc1ccc(cc1)COCSC 88d4cfdd86aae78006932161bcdb96c7 [0,2,0,0,0,0|1,0,1]=4 2691 B13R1.371 C#Cc1ccc(cc1)OC/C=C/C 7538d693f705aeb974ccdd977dfa0f6c [0,2,0,0,0,0|1,0,1]=4 2692 B13R1.371 C#Cc1ccc(cc1)OC/C=C\C 97edc546c1e354256679b2e28513d6cc [0,2,0,0,0,0|1,0,1]=4 2693 B13R1.371 C#Cc1ccc(cc1)OCCC#N 3145e0bc84d423be65e3b99452fea9a5 [0,2,0,0,0,0|1,0,1]=4 2694 B13R1.371 C#Cc1ccc(cc1)OCCC=C 863dd6bc80c49b0337245efabf25eef1 [0,2,0,0,0,0|1,0,1]=4 2695 B13R1.371 C#Cc1ccc(cc1)OCCC=O 1002256d7ef5e538229135f5a7c00839 [0,2,0,0,0,0|1,0,1]=4 2696 B13R1.371 C#Cc1ccc(cc1)OCCCC 881ae4359c2190728e27fd1ff61f4ff2 [0,2,0,0,0,0|1,0,1]=4 2697 B13R1.371 C#Cc1ccc(cc1)OCCCF d8840e32ae45521113af5885fb60fc9c [0,2,0,0,0,0|1,0,1]=4 2698 B13R1.371 C#Cc1ccc(cc1)OCCCS 316c1dbe5beca4d9a908bbd9d14b39d6 [0,2,0,0,0,0|1,0,1]=4 2699 B13R1.371 C#Cc1ccc(cc1)OCCOC 57cf7b8a6f8ffcccb20a6fe4f684e61e [0,2,0,0,0,0|1,0,1]=4 2700 B13R1.371 C#Cc1ccc(cc1)OCCSC 81deab46ec0c49dfa8765298668d5985 [0,2,0,0,0,0|1,0,1]=4 2701 B13R1.371 C/C=C/CNc1ccc(cc1)C=O 74a7db74685635cb545a03f91fcde42f [0,2,0,0,0,0|1,0,0]=3 2702 B13R1.371 C/C=C/CNc1ccc(cn1)C=O e940d33acf3300de72a4fd7707caf7e6 [0,2,0,0,0,0|2,0,0]=4 2703 B13R1.371 C/C=C/CNc1ccc(nc1)C=O 35ad7bec5963ac2b9d91ae28e9eea2b2 [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.371 C/C=C/COc1ccc(cc1)C#N 66f9ff36faa2bccaca40643030359f9b [0,2,0,0,0,0|1,0,1]=4 2705 B13R1.371 C/C=C/COc1ccc(cc1)C=O c8dcc6d0de4908882b588b052084f5ac [0,2,0,0,0,0|0,0,0]=2 2706 B13R1.371 C/C=C/COc1ccc(cc1)CC 798f718f017f089ac24bfdbfe2e8d48c [0,2,0,0,0,0|1,0,1]=4 2707 B13R1.371 C/C=C/COc1ccc(cc1)N=O 34e908ba927e1912005b648db24b0d17 [0,2,0,0,0,0|1,0,0]=3 2708 B13R1.371 C/C=C/COc1ccc(cc1)OC 3cb73a84caeb8c146e58c4fc6249eb9a [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.371 C/C=C/COc1ccc(cc1)SC a893ea71a09f2948e4ea1739357776f5 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.371 C/C=C/COc1ccc(cn1)C=O a4ab19614547ec945600d2e237cd6859 [0,2,0,0,0,0|1,0,0]=3 2711 B13R1.371 C/C=C/COc1ccc(nc1)C=O 84f417a4b2794dd00341f2d4036d11fa [0,2,0,0,0,0|1,0,0]=3 2712 B13R1.371 C/C=C/COc1ccc(nn1)C=O a7f9d3b65292162a05442a0cb84c9a2c [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.371 C/C=C/COc1ncc(cn1)C=O 486f1379dcafccef63a085b78b371c85 [0,2,0,0,0,0|2,0,0]=4 2714 B13R1.371 C/C=C\CNc1ccc(cc1)C=O 3cf38fb7649289cc9dbdf137e3458fab [0,2,0,0,0,0|1,0,0]=3 2715 B13R1.371 C/C=C\CNc1ccc(cn1)C=O 25269286a533dc282d2a7ec697d9c9a8 [0,2,0,0,0,0|2,0,0]=4 2716 B13R1.371 C/C=C\CNc1ccc(nc1)C=O d37e9cb6bc8db6963fb95d319a4b3ef2 [0,2,0,0,0,0|2,0,0]=4 2717 B13R1.371 C/C=C\COc1ccc(cc1)C#N cf954238fd6de386658c35362002566a [0,2,0,0,0,0|1,0,1]=4 2718 B13R1.371 C/C=C\COc1ccc(cc1)C=O 6a2e168aca4898d03e101fa2629d9164 [0,2,0,0,0,0|0,0,0]=2 2719 B13R1.371 C/C=C\COc1ccc(cc1)CC 4c435d6762983a867a77ac735da25989 [0,2,0,0,0,0|1,0,1]=4 2720 B13R1.371 C/C=C\COc1ccc(cc1)N=O 614fb079520f8119ffdacdb51f6427b7 [0,2,0,0,0,0|1,0,0]=3 2721 B13R1.371 C/C=C\COc1ccc(cc1)OC f6e6fdd6e19bba806efb2abbd5527b87 [0,2,0,0,0,0|2,0,0]=4 2722 B13R1.371 C/C=C\COc1ccc(cc1)SC dd52878224386487589c7e345ca1950e [0,2,0,0,0,0|2,0,0]=4 2723 B13R1.371 C/C=C\COc1ccc(cn1)C=O 006aa6aba25498f7d86f4f6ef5d7e433 [0,2,0,0,0,0|1,0,0]=3 2724 B13R1.371 C/C=C\COc1ccc(nc1)C=O 96a9f89271a46f711104e75688611651 [0,2,0,0,0,0|1,0,0]=3 2725 B13R1.371 C/C=C\COc1ccc(nn1)C=O b030eee82df1e285325d44ecdf6b27a5 [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.371 C/C=C\COc1ncc(cn1)C=O 1fb91879da2ac8c498be57602e073343 [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.371 C=CCCNc1ccc(cc1)C=C b5e763cc999685c73ee09580ea2adc86 [0,2,0,0,0,0|2,0,0]=4 2728 B13R1.371 C=CCCNc1ccc(cc1)C=O b63efafdc45f70ba680f2cf7e0f5be45 [0,2,0,0,0,0|1,0,0]=3 2729 B13R1.371 C=CCCNc1ccc(cn1)C=O 3a6ed441d04ac82a1a4863d2de2077ae [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.371 C=CCCNc1ccc(nc1)C=O 4cb0ae551a16389797d8d033b2711582 [0,2,0,0,0,0|2,0,0]=4 2731 B13R1.371 C=CCCOc1ccc(cc1)C#N 1fd389643b04bd5e3021ad975fbe5167 [0,2,0,0,0,0|1,0,1]=4 2732 B13R1.371 C=CCCOc1ccc(cc1)C=C 79634185b4743bd5b7af2f4d62e5ee58 [0,2,0,0,0,0|1,0,0]=3 2733 B13R1.371 C=CCCOc1ccc(cc1)C=O 3274651132e1c551a7326c228c50b0da [0,2,0,0,0,0|0,0,0]=2 2734 B13R1.371 C=CCCOc1ccc(cc1)CC efe2c781f703fbf70b0146228993298e [0,2,0,0,0,0|1,0,1]=4 2735 B13R1.371 C=CCCOc1ccc(cc1)N=O 756266708b88cae55ce71df27432369c [0,2,0,0,0,0|1,0,0]=3 2736 B13R1.371 C=CCCOc1ccc(cc1)OC ecbbc4943e95e819e16004288661d67e [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.371 C=CCCOc1ccc(cc1)SC 7b4dd72908afd556a709088b01451242 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.371 C=CCCOc1ccc(cn1)C=O ee57955b9ecbb9220cb540ef9cb298f9 [0,2,0,0,0,0|1,0,0]=3 2739 B13R1.371 C=CCCOc1ccc(nc1)C=O c3f9cc846b9b98c8e4d7427825321982 [0,2,0,0,0,0|1,0,0]=3 2740 B13R1.371 C=CCCOc1ccc(nn1)C=O 72a02925189f5cbe6caf4461eb0bfb95 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.371 C=CCCOc1ncc(cn1)C=O 9299276f59a3b361c22f05d41ed166ab [0,2,0,0,0,0|2,0,0]=4 2742 B13R1.371 C=CCOCc1ccc(cc1)C=C 5974a1d70c3051e29b95ef2cfc672aa2 [0,2,0,0,0,0|1,0,1]=4 2743 B13R1.371 C=CCOCc1ccc(cc1)C=O 0345f1a4dfbe15e093f610aa4407c003 [0,2,0,0,0,0|0,0,1]=3 2744 B13R1.371 C=CCOCc1ccc(nc1)C=O b51eeda3d7d03996ad35a1e60e1387ea [0,2,0,0,0,0|1,0,1]=4 2745 B13R1.371 C=Cc1ccc(cc1)CCOCC a76bf6510b21922d5f4664e72feae61f [0,2,0,0,0,0|1,0,0]=3 2746 B13R1.371 C=Cc1ccc(cc1)CCOCF 3c0c87140afa6dcb0c45312f6ffd1b29 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.371 C=Cc1ccc(cc1)CNCCBr acff4ab6b0b8815dc0a4ccadd05a4f5a [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.371 C=Cc1ccc(cc1)CNCCC 6a86c585be5961b248fe9fc93567dd0f [0,2,0,0,0,0|2,0,0]=4 2749 B13R1.371 C=Cc1ccc(cc1)CNCCF a62d3dea9e755d3a13dfe6bf53e79f93 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.371 C=Cc1ccc(cc1)CNCCI 92acd4a6c826d4cbc7ec3760ce6680f5 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.371 C=Cc1ccc(cc1)CNCCO 64c1b93771015bb514206661b6a4a7c9 [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.371 C=Cc1ccc(cc1)CNCCS 9bb20f47950fa470027b4a581e24d68c [0,2,0,0,0,0|2,0,0]=4 2753 B13R1.371 C=Cc1ccc(cc1)CNCOC f32394b02990cb781a84e6c5a5a65987 [0,2,0,0,0,0|2,0,0]=4 2754 B13R1.371 C=Cc1ccc(cc1)CNCSC dbe182f3a982152f7e770d36212ec817 [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.371 C=Cc1ccc(cc1)COCC#N 675be00ad165aad9a911253e4448dac2 [0,2,0,0,0,0|1,0,1]=4 2756 B13R1.371 C=Cc1ccc(cc1)COCC=O 9a31a047d6c2a3993fef9c44c9072baf [0,2,0,0,0,0|1,0,1]=4 2757 B13R1.371 C=Cc1ccc(cc1)COCCC 5c0f6feeb96bd32e50cb6672d0dcf179 [0,2,0,0,0,0|1,0,0]=3 2758 B13R1.371 C=Cc1ccc(cc1)COCCF 7f5784cab0a7560df1583818a984a96b [0,2,0,0,0,0|1,0,0]=3 2759 B13R1.371 C=Cc1ccc(cc1)COCCS df477b8404e47b2041b3c2f7de4e4b86 [0,2,0,0,0,0|1,0,0]=3 2760 B13R1.371 C=Cc1ccc(cc1)COCOC 5eb3af343b9c983e52ac75cdf5468977 [0,2,0,0,0,0|1,0,0]=3 2761 B13R1.371 C=Cc1ccc(cc1)COCSC d2dd905f42fda67a396b2c74e1668c6a [0,2,0,0,0,0|1,0,0]=3 2762 B13R1.371 C=Cc1ccc(cc1)NC/C=C/C 2e99aec7d0e7496e4285643cbed6cf73 [0,2,0,0,0,0|2,0,0]=4 2763 B13R1.371 C=Cc1ccc(cc1)NC/C=C\C 74c069c7812f08f603fc6a24a6322650 [0,2,0,0,0,0|2,0,0]=4 2764 B13R1.371 C=Cc1ccc(cc1)NCC=CC b628dcd2b7791bdd748d94ca7f553ab9 [0,2,0,0,0,0|2,0,0]=4 2765 B13R1.371 C=Cc1ccc(cc1)NCCC#N bfb32675fb47cd0b06499a6b27654731 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.371 C=Cc1ccc(cc1)NCCC=O 54e33dcaff06cb1dfed0aa21a9ad32fc [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.371 C=Cc1ccc(cc1)NCCCC f98ab0061afe3c1e06d94b5d29817cb2 [0,2,0,0,0,0|2,0,0]=4 2768 B13R1.371 C=Cc1ccc(cc1)NCCCCl 57e123eeb211fed9db7ab813ab58b049 [0,2,0,0,0,0|2,0,0]=4 2769 B13R1.371 C=Cc1ccc(cc1)NCCCF be71ad2b035466986b623474ec23488d [0,2,0,0,0,0|2,0,0]=4 2770 B13R1.371 C=Cc1ccc(cc1)NCCCO fa2a73cfec87de2c2fa8ad933cad5f2b [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.371 C=Cc1ccc(cc1)NCCCS 85bbbbdf23034e0a2653f35f72c74730 [0,2,0,0,0,0|2,0,0]=4 2772 B13R1.371 C=Cc1ccc(cc1)NCCOC 5d4265eed80cbac46a85f92ce3fbd6e0 [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.371 C=Cc1ccc(cc1)NCCON bcc85756330314b1db4d2b3006fe7ccd [0,2,0,0,0,0|2,0,0]=4 2774 B13R1.371 C=Cc1ccc(cc1)NCCSC 28bde6685e762a0c3f83484907e05619 [0,2,0,0,0,0|2,0,0]=4 2775 B13R1.371 C=Cc1ccc(cc1)NCOCC cf158398c36afedeff0b8fd01a383307 [0,2,0,0,0,0|1,0,0]=3 2776 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 9d09e3a4df4447636e3feba67897d486 [0,2,0,0,0,0|1,0,0]=3 2777 B13R1.371 C=Cc1ccc(cc1)OC/C=C/Cl ddc16c071cc07e5ed0d0dd75841c2870 [0,2,0,0,0,0|1,0,1]=4 2778 B13R1.371 C=Cc1ccc(cc1)OC/C=C\C be281421d1d0cd748f96bf2750a9ba73 [0,2,0,0,0,0|1,0,0]=3 2779 B13R1.371 C=Cc1ccc(cc1)OC/C=C\Cl 19b0b0b7dd9133dce066a4291fe7f7bd [0,2,0,0,0,0|1,0,1]=4 2780 B13R1.371 C=Cc1ccc(cc1)OCCC#N 02fa9950d4f3691cbf9de572b8a7aea6 [0,2,0,0,0,0|1,0,0]=3 2781 B13R1.371 C=Cc1ccc(cc1)OCCC=O 0b2fb62997a001b7c7f3e781243c7a0d [0,2,0,0,0,0|1,0,0]=3 2782 B13R1.371 C=Cc1ccc(cc1)OCCCC 7096c01446aacc636656243c4badcaba [0,2,0,0,0,0|1,0,0]=3 2783 B13R1.371 C=Cc1ccc(cc1)OCCCF 563d89742689cdeb2dc91b26f0631f04 [0,2,0,0,0,0|1,0,0]=3 2784 B13R1.371 C=Cc1ccc(cc1)OCCCS 64ba84fa90a643d6ceb59fafa0e4a982 [0,2,0,0,0,0|1,0,0]=3 2785 B13R1.371 C=Cc1ccc(cc1)OCCOC 9ce1ef7afe8ec1622f759e187e7555db [0,2,0,0,0,0|1,0,0]=3 2786 B13R1.371 C=Cc1ccc(cc1)OCCSC 938f2142210ad3d6ba6f9f298c82ce7c [0,2,0,0,0,0|1,0,0]=3 2787 B13R1.371 C=Cc1ccc(cc1)OCOCC 73ec4cd51df546cdfea661c3ba47e577 [0,2,0,0,0,0|1,0,0]=3 2788 B13R1.371 C=Cc1ccc(cc1)OCSC#N 0509c99842b263279141532973eb9b42 [0,2,0,0,0,0|1,0,1]=4 2789 B13R1.371 C=Cc1ccc(nc1)NCOCC feb7d84a6838ba026e97900d20382837 [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.371 CC=CCNc1ccc(cc1)C=O b55ceed50969077f5a1dee2888199a1e [0,2,0,0,0,0|1,0,0]=3 2791 B13R1.371 CC=CCNc1ccc(cn1)C=O 18efa5ce696edc7e9866359e1bd1af5f [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.371 CC=CCNc1ccc(nc1)C=O 7fefd89d52023972f1da523fc6229cfd [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.371 CCCCNc1ccc(cc1)C=O aaa7188e90485cd193203bb10520a918 [0,2,0,0,0,0|1,0,0]=3 2794 B13R1.371 CCCCNc1ccc(cn1)C=O 92034e1858005792a11ae4b1fa227917 [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.371 CCCCNc1ccc(nc1)C=O d8b553258a15638ea354f25ce7c66d7f [0,2,0,0,0,0|2,0,0]=4 2796 B13R1.371 CCCCOc1ccc(cc1)C#N 6b7c9bbade4256018b069106a22a8e32 [0,2,0,0,0,0|1,0,1]=4 2797 B13R1.371 CCCCOc1ccc(cc1)C=O 22d5303bcf6ff78a696008d4b1bb0459 [0,2,0,0,0,0|0,0,0]=2 2798 B13R1.371 CCCCOc1ccc(cc1)CC ab59b73c46cf2c5eeeceb4e3c01c96e3 [0,2,0,0,0,0|1,0,1]=4 2799 B13R1.371 CCCCOc1ccc(cc1)N=O 32ed9bc06139f59105273813ff47aefe [0,2,0,0,0,0|1,0,0]=3 2800 B13R1.371 CCCCOc1ccc(cc1)OC 52400da5c0e7bccc480c16cdbb9df2b2 [0,2,0,0,0,0|2,0,0]=4 2801 B13R1.371 CCCCOc1ccc(cc1)SC 7a923f0313520610a9308cdd51c0727a [0,2,0,0,0,0|2,0,0]=4 2802 B13R1.371 CCCCOc1ccc(cn1)C=O 268028fcbc571578deec883eda5b5644 [0,2,0,0,0,0|1,0,0]=3 2803 B13R1.371 CCCCOc1ccc(nc1)C=O 84a354cee8e492e6062148e4e3188029 [0,2,0,0,0,0|1,0,0]=3 2804 B13R1.371 CCCCOc1ccc(nn1)C=O 36012e1aeaecf0ab18335a6cedded57c [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.371 CCCCOc1ncc(cn1)C=O 2e9af1fae6b3e8ba9086ce432afdc9c1 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.371 CCCNCc1ccc(cc1)C=O 25d1984269b6d63d3de874a36afc62ba [0,2,0,0,0,0|1,0,0]=3 2807 B13R1.371 CCCOCc1ccc(cc1)C#N d84cb44f5a0594e81985632ad73b4e67 [0,2,0,0,0,0|1,0,1]=4 2808 B13R1.371 CCCOCc1ccc(cc1)C=O 1ddd83e6f131c4321de92c0554aad1bd [0,2,0,0,0,0|0,0,0]=2 2809 B13R1.371 CCCOCc1ccc(cc1)CC 35e951057d7f611a6b7014c8dcd39250 [0,2,0,0,0,0|1,0,1]=4 2810 B13R1.371 CCCOCc1ccc(cc1)OC 606a55e8f1c25ebc8acf7a643c0903b2 [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.371 CCCOCc1ccc(cc1)SC 977aaefeb76807ff34c4ea7f810cfce0 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.371 CCCOCc1ccc(nc1)C=O f02c6ce37fcfc98b9a4fb7793fe1ab58 [0,2,0,0,0,0|1,0,0]=3 2813 B13R1.371 CCCOCc1cnc(nc1)C=O ba2e594f1b82ad49f44107962d076468 [0,2,0,0,0,0|2,0,0]=4 2814 B13R1.371 CCCOCc1ncc(cn1)C=O 97109e42b1e4a19b59ea437ea62bb5a2 [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.371 CCOCCc1ccc(cc1)C#N e511651edfcbcdbc55d70546c892afe4 [0,2,0,0,0,0|1,0,1]=4 2816 B13R1.371 CCOCCc1ccc(cc1)C=O d52a3858e2c994c30247ed242c17ba7b [0,2,0,0,0,0|0,0,0]=2 2817 B13R1.371 CCOCCc1ccc(cc1)OC 8a11d2af9f0deaf1e16b62be209b1bc6 [0,2,0,0,0,0|2,0,0]=4 2818 B13R1.371 CCOCNc1ccc(cc1)C#N 3bb9b4056b60e4eefbc12195f2c299cd [0,2,0,0,0,0|1,0,1]=4 2819 B13R1.371 CCOCNc1ccc(cc1)C=O c5b282f4dd1a591d0c9adb603057414a [0,2,0,0,0,0|0,0,0]=2 2820 B13R1.371 CCOCNc1ccc(cc1)CC 6836de4d37aa5bbd9af38aa5151655b4 [0,2,0,0,0,0|1,0,1]=4 2821 B13R1.371 CCOCNc1ccc(cc1)CO 73a4d8f4672e0699c7f32e8b1dcebd4d [0,2,0,0,0,0|0,0,2]=4 2822 B13R1.371 CCOCNc1ccc(cc1)OC 0c80b59097eefc22fac047ac9aee7e73 [0,2,0,0,0,0|2,0,0]=4 2823 B13R1.371 CCOCNc1ccc(cc1)SC dbe6be20913731309bb20e29e395841b [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.371 CCOCNc1ccc(cn1)C=O f8ef2c245be9f879b7302f91a57fa395 [0,2,0,0,0,0|1,0,0]=3 2825 B13R1.371 CCOCNc1ccc(nc1)C=O d1601730264d0592baa42ba6fa6e9679 [0,2,0,0,0,0|1,0,0]=3 2826 B13R1.371 CCOCNc1cnc(cn1)C=O 1eedd30d3553ff58efb85fdfe9967b5b [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.371 CCOCNc1ncc(cn1)C=O 0daa7528f844041dae061da078c99441 [0,2,0,0,0,0|2,0,0]=4 2828 B13R1.371 CCOCOc1ccc(cc1)C=O c90780b51299381f8f021aba3aa6aec8 [0,2,0,0,0,0|0,0,0]=2 2829 B13R1.371 CCOCOc1ccc(cc1)N=O 426ee164bf8b9718237300bb3d4f0470 [0,2,0,0,0,0|1,0,0]=3 2830 B13R1.371 CCOCOc1ccc(cc1)OC adf742897cd134d1086cde0ceba8c60d [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.371 CCOCOc1ccc(cc1)SC c11a8d7051a8e6bc747a3992846c5663 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.371 CCOCOc1ccc(cn1)C=O 97a8f38868ed28eca7e15fa62e2a42d6 [0,2,0,0,0,0|1,0,0]=3 2833 B13R1.371 CCOCOc1ccc(nc1)C=O 11776464d16df9de32a2f74e3799a4a9 [0,2,0,0,0,0|1,0,0]=3 2834 B13R1.371 CCOCOc1ccc(nn1)C=O 1ef713b36e38e5424212de30f6079084 [0,2,0,0,0,0|2,0,0]=4 2835 B13R1.371 CCOCOc1ncc(cn1)C=O 73bd27802959f1836d30d3670ad8cb68 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.371 CCc1ccc(cc1)COCCF 052cd45f3042f603079c64dc708e3743 [0,2,0,0,0,0|1,0,1]=4 2837 B13R1.371 CCc1ccc(cc1)COCCS d7eab65b24d292ec723fdb7466005f47 [0,2,0,0,0,0|1,0,1]=4 2838 B13R1.371 CCc1ccc(cc1)COCOC 4f4e796d20d66b47c1490d097ce2d491 [0,2,0,0,0,0|1,0,1]=4 2839 B13R1.371 CCc1ccc(cc1)COCSC d6926761ea49c7b87a0276d4d7e0cc0b [0,2,0,0,0,0|1,0,1]=4 2840 B13R1.371 CCc1ccc(cc1)OCCC#N 3439e7a227b844d07fda44fec33bbcb6 [0,2,0,0,0,0|1,0,1]=4 2841 B13R1.371 CCc1ccc(cc1)OCCC=O a2ade388fc5433ba64cd27dcbde75a15 [0,2,0,0,0,0|1,0,1]=4 2842 B13R1.371 CCc1ccc(cc1)OCCCF 589bb1ae878f2d52351f38b8cd347a7b [0,2,0,0,0,0|1,0,1]=4 2843 B13R1.371 CCc1ccc(cc1)OCCOC 47d311278dacd5ec079d468c74812c22 [0,2,0,0,0,0|1,0,1]=4 2844 B13R1.371 CCc1ccc(cc1)OCCSC 1d487a446980b3f5dc68cf207dd91530 [0,2,0,0,0,0|1,0,1]=4 2845 B13R1.371 COCCNc1ccc(cc1)C=O b7eac5f2393102c9d401efd7e9e5ede3 [0,2,0,0,0,0|1,0,0]=3 2846 B13R1.371 COCCNc1ccc(cn1)C=O 561c436c95eae0b3493bec9e96ff73b0 [0,2,0,0,0,0|2,0,0]=4 2847 B13R1.371 COCCNc1ccc(nc1)C=O 72dd56c81a0742bfd77354f4dbcf5b4f [0,2,0,0,0,0|2,0,0]=4 2848 B13R1.371 COCCOc1ccc(cc1)C#N 0f5ae91d7dfdb225de1599929d87e8e3 [0,2,0,0,0,0|1,0,1]=4 2849 B13R1.371 COCCOc1ccc(cc1)C=O ba6f1bef9973499ef8f5d68d4eb67883 [0,2,0,0,0,0|0,0,0]=2 2850 B13R1.371 COCCOc1ccc(cc1)N=O 3cef0d6661028ff39d532cab79a9f815 [0,2,0,0,0,0|1,0,0]=3 2851 B13R1.371 COCCOc1ccc(cc1)OC 081c91c9dbdbe331c94695285e05f78b [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.371 COCCOc1ccc(cc1)SC 60f1b0df0c12954df3ee8307836a4df3 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.371 COCCOc1ccc(cn1)C=O c365e08549d026101299229f5bd641d9 [0,2,0,0,0,0|1,0,0]=3 2854 B13R1.371 COCCOc1ccc(nc1)C=O 5c5b6717fcffe099a21a45ea9127f2c0 [0,2,0,0,0,0|1,0,0]=3 2855 B13R1.371 COCCOc1ccc(nn1)C=O 2db0d174298f2d5b872eb2e8147f0184 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.371 COCCOc1ncc(cn1)C=O 9a6607df5ba3ab30d0db34495fdc07c0 [0,2,0,0,0,0|2,0,0]=4 2857 B13R1.371 COCOCc1ccc(cc1)C#N 43bcc06566b77fb8a7d30bf90edd28e5 [0,2,0,0,0,0|1,0,1]=4 2858 B13R1.371 COCOCc1ccc(cc1)C=O 8dc8c0a7e637f809f8a65d2c0b26dfa5 [0,2,0,0,0,0|0,0,0]=2 2859 B13R1.371 COCOCc1ccc(cc1)OC b12b452d2748f080458998e2edabc008 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.371 COCOCc1ccc(cc1)SC b8e8287ac77acc33dfa59f656e78f075 [0,2,0,0,0,0|2,0,0]=4 2861 B13R1.371 COCOCc1ccc(nc1)C=O 5db903a2fe24b2829993fda5374109a0 [0,2,0,0,0,0|1,0,0]=3 2862 B13R1.371 COCOCc1cnc(nc1)C=O 75a7a1246fef75232f42dbf506b9e7b8 [0,2,0,0,0,0|2,0,0]=4 2863 B13R1.371 COCOCc1ncc(cn1)C=O 9aa11089187d3709a7810b70e1a0d838 [0,2,0,0,0,0|2,0,0]=4 2864 B13R1.371 COc1ccc(cc1)COCCF 63b880fde60224d64ace68d903ba6485 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.371 COc1ccc(cc1)COCCS fdd1d79b3aa2eec5b838354b2e7f652a [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.371 COc1ccc(cc1)COCSC da5de504d901a8cc8277e482aa84803b [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.371 COc1ccc(cc1)OCCC#N 39832d6f40b826058ad3434107e1475c [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.371 COc1ccc(cc1)OCCC=O a3ebe964beab952f2681d47fef4b6f4f [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.371 COc1ccc(cc1)OCCCF 551b68db9adef373a0394d1687f019d1 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.371 COc1ccc(cc1)OCCCS 4993d43a482a893eaeea0ae231773078 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.371 COc1ccc(cc1)OCCSC 97891ac234566bfc17a8352fd06fda1e [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.371 CSCCNc1ccc(cc1)C=O a17a89704a2e16a146b24b8401b5922c [0,2,0,0,0,0|1,0,0]=3 2873 B13R1.371 CSCCNc1ccc(cn1)C=O e7c8c15c55cda84482f060864dd3bced [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.371 CSCCNc1ccc(nc1)C=O d4f57dc70f023131f1e59324a79d9c99 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.371 CSCCOc1ccc(cc1)C#N daaa2cde287b35fc28b42b9bd4a439ca [0,2,0,0,0,0|1,0,1]=4 2876 B13R1.371 CSCCOc1ccc(cc1)C=O c763cc33f1ed89ac6ecdb23341e9d755 [0,2,0,0,0,0|0,0,0]=2 2877 B13R1.371 CSCCOc1ccc(cc1)N=O 1161963c5ee340ffae3baa1727fe3f5f [0,2,0,0,0,0|1,0,0]=3 2878 B13R1.371 CSCCOc1ccc(cc1)SC 108aad8db760a91ec54ac93639f16804 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.371 CSCCOc1ccc(cn1)C=O 5150f3cf5d350a6a1db6f62b239fcc72 [0,2,0,0,0,0|1,0,0]=3 2880 B13R1.371 CSCCOc1ccc(nc1)C=O 326917aada2e5a74437fa57b3dae8d4e [0,2,0,0,0,0|1,0,0]=3 2881 B13R1.371 CSCCOc1ccc(nn1)C=O 16234229d0d01ab7cc8e2f8596795325 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.371 CSCCOc1ncc(cn1)C=O 1926dcd6bb74d18f4d3b7fe9067055b0 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.371 CSCOCc1ccc(cc1)C#N a80104973cedd5e7dfb88eb78fb535a2 [0,2,0,0,0,0|1,0,1]=4 2884 B13R1.371 CSCOCc1ccc(cc1)C=O 1bbf028d7905f66ae210477ed0ae1d1f [0,2,0,0,0,0|0,0,0]=2 2885 B13R1.371 CSCOCc1ccc(cc1)SC 67b89db0dad83f010c918a2f50afc28f [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.371 CSCOCc1ccc(nc1)C=O 4bea1efae6a1523752bb23f3bca11e75 [0,2,0,0,0,0|1,0,0]=3 2887 B13R1.371 CSCOCc1cnc(nc1)C=O fb57d66aadb6d6fe04496091ca38c980 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.371 CSCOCc1ncc(cn1)C=O 5374a5b6dbb2d466ac4896e0fb50957e [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.371 CSc1ccc(cc1)COCCF 99d52da80e4fae654dd1ff4322d8f35e [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.371 CSc1ccc(cc1)COCCS d83ead18d2a186b38daa799db47d7b3d [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.371 CSc1ccc(cc1)OCCC#N 1f1d677e6e91abf2551f117297613033 [0,2,0,0,0,0|2,0,0]=4 2892 B13R1.371 CSc1ccc(cc1)OCCC=O 8c03ff4be02cce3adb47fdc547be1c7e [0,2,0,0,0,0|2,0,0]=4 2893 B13R1.371 CSc1ccc(cc1)OCCCF dd32dd9ce73d391d595700a3f641ce58 [0,2,0,0,0,0|2,0,0]=4 2894 B13R1.371 CSc1ccc(cc1)OCCCS 0df3377a8d4aa47ca0add0baf1972654 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.371 N#CCCNc1ccc(cc1)C=O 111dc30ac6d87f6c7f246c13098b3a75 [0,2,0,0,0,0|1,0,0]=3 2896 B13R1.371 N#CCCNc1ccc(cn1)C=O 0456d19e4d1d5ecb408b993e9e957680 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.371 N#CCCNc1ccc(nc1)C=O 26128566c2d84738dd82a7726a531268 [0,2,0,0,0,0|2,0,0]=4 2898 B13R1.371 N#CCCOc1ccc(cc1)C#N c29edc12419af3905a20faaa6d62a703 [0,2,0,0,0,0|1,0,1]=4 2899 B13R1.371 N#CCCOc1ccc(cc1)C=O 88daa8c99dd5fb76ae6aaaf4fcc2c6ac [0,2,0,0,0,0|0,0,0]=2 2900 B13R1.371 N#CCCOc1ccc(cc1)N=O 273a0ea0cb190e065d02216ecef6a07b [0,2,0,0,0,0|1,0,0]=3 2901 B13R1.371 N#CCCOc1ccc(cn1)C=O 86e61411bf26b58c4268caed4c20a78a [0,2,0,0,0,0|1,0,0]=3 2902 B13R1.371 N#CCCOc1ccc(nc1)C=O e3d36624779ea15c3e3b4bb34c9fc181 [0,2,0,0,0,0|1,0,0]=3 2903 B13R1.371 N#CCCOc1ccc(nn1)C=O 94e3a704132cf62e62d33d5c10c6c1d3 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.371 N#CCCOc1ncc(cn1)C=O cc20b8e24d1f08160e276d44503dfba2 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.371 N#CCNCc1ccc(cc1)C=O 31c266a442b2dfa484945f03ae9b279d [0,2,0,0,0,0|1,0,1]=4 2906 B13R1.371 N#CCOCc1ccc(cc1)C=O f1ca5a9eab525053efe81dc86b09b857 [0,2,0,0,0,0|0,0,1]=3 2907 B13R1.371 N#CCOCc1ccc(nc1)C=O 32dbf3b4361fcb6ce3bb9880fa71ca13 [0,2,0,0,0,0|1,0,1]=4 2908 B13R1.371 N#CNCCc1ccc(cc1)C=O 9ed1a65421428b1f8416a39704d38da0 [0,2,0,0,0,0|1,0,1]=4 2909 B13R1.371 N#CSCNc1ccc(cc1)C=O 4900e362a657661a4c43dd9a1fb959fd [0,2,0,0,0,0|1,0,1]=4 2910 B13R1.371 N#CSCOc1ccc(cc1)C=O bd406129a9809ae3156c46065de0c4b2 [0,2,0,0,0,0|0,0,1]=3 2911 B13R1.371 N#CSCOc1ccc(cn1)C=O d1d3d6a9b557d673bd5d7d3bd61ba31d [0,2,0,0,0,0|1,0,1]=4 2912 B13R1.371 N#CSCOc1ccc(nc1)C=O 327de78b55c57b84d96caa30496e649e [0,2,0,0,0,0|1,0,1]=4 2913 B13R1.371 N#Cc1ccc(cc1)COCCF 27ecc59af7105a88d65b213beed6f6f6 [0,2,0,0,0,0|1,0,1]=4 2914 B13R1.371 N#Cc1ccc(cc1)COCCS edabb3f2381f9cea2f6ab65436c52e24 [0,2,0,0,0,0|1,0,1]=4 2915 B13R1.371 N#Cc1ccc(cc1)OCCC=O d6e8627960f0d5d885a480d5488b9235 [0,2,0,0,0,0|1,0,1]=4 2916 B13R1.371 N#Cc1ccc(cc1)OCCCF e8b896d95c5bc048a85d249ab3a0b0fa [0,2,0,0,0,0|1,0,1]=4 2917 B13R1.371 N#Cc1ccc(cc1)OCCCS 7cc067ffd741d1b432ddd21c92dbd590 [0,2,0,0,0,0|1,0,1]=4 2918 B13R1.371 NOCCNc1ccc(cc1)C=O 6644770bdec1eedd281507b07b70fec3 [0,2,0,0,0,0|1,0,0]=3 2919 B13R1.371 NOCCNc1ccc(cn1)C=O d0a0d015b756289e78f65367a78f0592 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.371 NOCCNc1ccc(nc1)C=O 1b13f4b64874e25f7fd9407f3f2f0326 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.371 O=CCCNc1ccc(cc1)C=O e4cf6c9f66913675119aea1e11cfc6f1 [0,2,0,0,0,0|1,0,0]=3 2922 B13R1.371 O=CCCNc1ccc(cn1)C=O 7ddfdfeb50b0da96821c66fd9966e0f6 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.371 O=CCCNc1ccc(nc1)C=O 95687bc08b7d5e6fe76d936bdf3bd43a [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.371 O=CCCOc1ccc(cc1)C=O b6ebf556a5703a96825abff22dcfc53b [0,2,0,0,0,0|0,0,0]=2 2925 B13R1.371 O=CCCOc1ccc(cc1)N=O f2f648dd5c12be77d8624aa05c100e34 [0,2,0,0,0,0|1,0,0]=3 2926 B13R1.371 O=CCCOc1ccc(cn1)C=O 10f67577df953bb02eefbb5ea0609073 [0,2,0,0,0,0|1,0,0]=3 2927 B13R1.371 O=CCCOc1ccc(nc1)C=O eb0466214d18bbd63cfed57ab3ffb309 [0,2,0,0,0,0|1,0,0]=3 2928 B13R1.371 O=CCCOc1ccc(nn1)C=O a81fd0bf80d0d42a7588ebdeb1399307 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.371 O=CCCOc1ncc(cn1)C=O 232b3423883af080d115ddbe05987e24 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.371 O=CCOCc1ccc(cc1)C=O 5dadf4489b674b28d625d5ea53962130 [0,2,0,0,0,0|0,0,1]=3 2931 B13R1.371 O=CCOCc1ccc(nc1)C=O e8b668397188ae95fe07ba0406887cc6 [0,2,0,0,0,0|1,0,1]=4 2932 B13R1.371 O=Cc1ccc(cc1)CCOCF 6d02eb1194dfb5d05efaa2b19738d261 [0,2,0,0,0,0|1,0,0]=3 2933 B13R1.371 O=Cc1ccc(cc1)CNCCBr 47276b3a7a47b19a1dae04ed509d5950 [0,2,0,0,0,0|1,0,0]=3 2934 B13R1.371 O=Cc1ccc(cc1)CNCCF d05ec248c7adf862360e2afa50049278 [0,2,0,0,0,0|1,0,0]=3 2935 B13R1.371 O=Cc1ccc(cc1)CNCCI 68a5e556f012a68416e56478d07f7086 [0,2,0,0,0,0|1,0,0]=3 2936 B13R1.371 O=Cc1ccc(cc1)CNCCO ee0e9952965238111ba4ce2f3d6015ff [0,2,0,0,0,0|1,0,0]=3 2937 B13R1.371 O=Cc1ccc(cc1)CNCCS 15342a27d5201fdf2e6d91003ee198f6 [0,2,0,0,0,0|1,0,0]=3 2938 B13R1.371 O=Cc1ccc(cc1)COCCF 2794a78590ad5b00d435ef0987a3557c [0,2,0,0,0,0|0,0,0]=2 2939 B13R1.371 O=Cc1ccc(cc1)COCCS c2b718c97bda67ba19d15fcb3000fb6d [0,2,0,0,0,0|0,0,0]=2 2940 B13R1.371 O=Cc1ccc(cc1)NC/C=C/Cl fd9269d1ced0ebf8f38e5d58ea8d160d [0,2,0,0,0,0|1,0,1]=4 2941 B13R1.371 O=Cc1ccc(cc1)NC/C=C\Cl f110c9f4d68462a0205c72f93b5e6ac2 [0,2,0,0,0,0|1,0,1]=4 2942 B13R1.371 O=Cc1ccc(cc1)NC/C=C\O 8065af3f2cca6ba236c5f9f752bc9e31 [0,2,0,0,0,0|1,0,1]=4 2943 B13R1.371 O=Cc1ccc(cc1)NCCCCl fec5f84c1f22b974c8a3ff6d468c660a [0,2,0,0,0,0|1,0,0]=3 2944 B13R1.371 O=Cc1ccc(cc1)NCCCF e331b7600e4d87277463239074c8aa1f [0,2,0,0,0,0|1,0,0]=3 2945 B13R1.371 O=Cc1ccc(cc1)NCCCO f3cb61d69e9a51cb07c201ce295dff2d [0,2,0,0,0,0|1,0,0]=3 2946 B13R1.371 O=Cc1ccc(cc1)NCCCS a8d0211718c400827643aab73b376e8c [0,2,0,0,0,0|1,0,0]=3 2947 B13R1.371 O=Cc1ccc(cc1)OC/C=C/Cl 53d63b7009bd000de7607eec8f84fe86 [0,2,0,0,0,0|0,0,1]=3 2948 B13R1.371 O=Cc1ccc(cc1)OC/C=C\Cl d4275440ab2991bf87450ba132a2d502 [0,2,0,0,0,0|0,0,1]=3 2949 B13R1.371 O=Cc1ccc(cc1)OCCCF 27e4c7eda5c5eac49af4f09f0a84f47d [0,2,0,0,0,0|0,0,0]=2 2950 B13R1.371 O=Cc1ccc(cc1)OCCCS 4e08ebbf6cdae86f64990fafa5eae991 [0,2,0,0,0,0|0,0,0]=2 2951 B13R1.371 O=Cc1ccc(cn1)COCCF 20ab5ea60dfcd8a8736240ecacc3fadc [0,2,0,0,0,0|1,0,0]=3 2952 B13R1.371 O=Cc1ccc(cn1)COCCS df86befc19fee949150aaaa47510a2ad [0,2,0,0,0,0|1,0,0]=3 2953 B13R1.371 O=Cc1ccc(cn1)NCCCCl 5800bed944c9db50537fa2f7cbc97ec8 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.371 O=Cc1ccc(cn1)NCCCF f9f849ece3f1ac4c30b95e4f43ae6c5c [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.371 O=Cc1ccc(cn1)NCCCO 043c914ab15cec0daba7b4668b4aa807 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.371 O=Cc1ccc(cn1)NCCCS d66698fc994436a13707b734fd824dda [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.371 O=Cc1ccc(cn1)OC/C=C/Cl b17cde1047029666acb312699b17ab70 [0,2,0,0,0,0|1,0,1]=4 2958 B13R1.371 O=Cc1ccc(cn1)OC/C=C\Cl a26a1408c54bc013e1e5842876897ea4 [0,2,0,0,0,0|1,0,1]=4 2959 B13R1.371 O=Cc1ccc(cn1)OCCCF b32f12ef74ebd691af62b2079039e593 [0,2,0,0,0,0|1,0,0]=3 2960 B13R1.371 O=Cc1ccc(cn1)OCCCS 6b1d8257e34b0eaf505a2d9220b2ab8a [0,2,0,0,0,0|1,0,0]=3 2961 B13R1.371 O=Cc1ccc(nc1)NCCCCl abce9cdd652393864c0c474f46e9bf99 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.371 O=Cc1ccc(nc1)NCCCF 7556185b25df3876e7b4c406a718d5dd [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.371 O=Cc1ccc(nc1)NCCCO 45dff6379cfb93178d7ef987bfab1011 [0,2,0,0,0,0|2,0,0]=4 2964 B13R1.371 O=Cc1ccc(nc1)NCCCS b3961e3fdad99db1c9d8225a8bbb9562 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.371 O=Cc1ccc(nc1)OC/C=C/Cl d3451af0bbf5d8abb0c9163109c8da79 [0,2,0,0,0,0|1,0,1]=4 2966 B13R1.371 O=Cc1ccc(nc1)OC/C=C\Cl a2ef9e9f0a3b4bb56151c5f21bd11944 [0,2,0,0,0,0|1,0,1]=4 2967 B13R1.371 O=Cc1ccc(nc1)OCCCF 66284920aad71d578b09d6727fbc9688 [0,2,0,0,0,0|1,0,0]=3 2968 B13R1.371 O=Cc1ccc(nc1)OCCCS a4f77b5482e6190f1b99ad3d91d68056 [0,2,0,0,0,0|1,0,0]=3 2969 B13R1.371 O=Cc1ccc(nn1)OCCCF 04bf7da019b9bed71052289c1ffe0b1e [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.371 O=Cc1ccc(nn1)OCCCS 56ab11fcfa21499dd55ff3fc4ff482b9 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.371 O=Cc1cnc(nc1)COCCF 41e2e380d6edd2a666fe0a70b0821dfe [0,2,0,0,0,0|2,0,0]=4 2972 B13R1.371 O=Cc1cnc(nc1)COCCS a7f5a8d1f7e972869ff3a57df2e3e580 [0,2,0,0,0,0|2,0,0]=4 2973 B13R1.371 O=Cc1cnc(nc1)OCCCF 31a933f3304d0166cd8e6a5d63666387 [0,2,0,0,0,0|2,0,0]=4 2974 B13R1.371 O=Cc1cnc(nc1)OCCCS 8992f3ae248fc29bfc07aa600bc38045 [0,2,0,0,0,0|2,0,0]=4 2975 B13R1.371 O=Cc1ncc(cn1)COCCF 50a249ac252bc7c38033ffa7ccbe7257 [0,2,0,0,0,0|2,0,0]=4 2976 B13R1.371 O=Cc1ncc(cn1)COCCS a9f571b978a47671ff82486cc6491595 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.371 O=Nc1ccc(cc1)OC/C=C/Cl e0cdd3e6232e899c5509f8f31975fe8f [0,2,0,0,0,0|1,0,1]=4 2978 B13R1.371 O=Nc1ccc(cc1)OC/C=C\Cl defb3ce67b29745bd7a39f596bde06bf [0,2,0,0,0,0|1,0,1]=4 2979 B13R1.371 O=Nc1ccc(cc1)OCCCF d9db2ca778beb0da40a6f94ee7b9efd7 [0,2,0,0,0,0|1,0,0]=3 2980 B13R1.371 O=Nc1ccc(cc1)OCCCS a644a6164d22af1c85530a9dc6b00dc3 [0,2,0,0,0,0|1,0,0]=3 2981 B13R1.577 C#CCNc1ccc(c(c1)Br)C=O 1ca7ea9e583238427adab4f1faca772c [0,2,0,0,0,0|1,0,1]=4 2982 B13R1.577 C#CCNc1ccc(c(c1)Cl)C=O a7f1f48d05299c52c8d0b3f491c8f86f [0,2,0,0,0,0|1,0,1]=4 2983 B13R1.577 C#CCNc1ccc(c(c1)F)C=O 9059fb7e5678d1892f1d8df5045452f0 [0,2,0,0,0,0|1,0,1]=4 2984 B13R1.577 C#CCOc1ccc(c(c1)Br)C=O a2b3e09ecd2979285195eabaa91f074a [0,2,0,0,0,0|0,0,1]=3 2985 B13R1.577 C#CCOc1ccc(c(c1)C)C=O 5f14c52e777875ab3e6f70c7cd119c87 [0,2,0,0,0,0|0,0,1]=3 2986 B13R1.577 C#CCOc1ccc(c(c1)Cl)C=O 5bfd53d9740795ac58802a368a954986 [0,2,0,0,0,0|0,0,1]=3 2987 B13R1.577 C#CCOc1ccc(c(c1)F)C=O 16cbee26bec89070d8527de10af7d88c [0,2,0,0,0,0|0,0,1]=3 2988 B13R1.577 C#CCOc1ccc(c(c1)I)C=O 9c1a54eb912a3b212514f3de240b165e [0,2,0,0,0,0|0,0,1]=3 2989 B13R1.577 C#CCOc1cnc(c(c1)Cl)C=O 671e41f1538a990616542485005ed97d [0,2,0,0,0,0|1,0,1]=4 2990 B13R1.577 C#CCOc1cnc(c(c1)F)C=O 38f564a242781a1f4e9508231b0465b1 [0,2,0,0,0,0|1,0,1]=4 2991 B13R1.577 C=CCNc1ccc(c(c1)Br)C=O d33adfad55cd70f3a8135ea6f2d65da9 [0,2,0,0,0,0|1,0,1]=4 2992 B13R1.577 C=CCNc1ccc(c(c1)Cl)C=O a6d12ae3766ccebf6c28cc1c0721217d [0,2,0,0,0,0|1,0,1]=4 2993 B13R1.577 C=CCNc1ccc(c(c1)F)C=O 7fb00ed2f3924471a2b27c9504511a84 [0,2,0,0,0,0|1,0,1]=4 2994 B13R1.577 C=CCOc1ccc(c(c1)Br)C=O cee6ff85143e3f7c50cedfea17b813e6 [0,2,0,0,0,0|0,0,1]=3 2995 B13R1.577 C=CCOc1ccc(c(c1)C)C=O fbf4bd1bf84722bdc2fa31e6f95629a4 [0,2,0,0,0,0|0,0,1]=3 2996 B13R1.577 C=CCOc1ccc(c(c1)Cl)C=O 07b5151f9577be574a250179e0d7786d [0,2,0,0,0,0|0,0,1]=3 2997 B13R1.577 C=CCOc1ccc(c(c1)F)C=O d427957f33a6dadf6ec9db5b5e6f2273 [0,2,0,0,0,0|0,0,1]=3 2998 B13R1.577 C=CCOc1ccc(c(c1)I)C=O c83f043653d541e235962c49a179b1d5 [0,2,0,0,0,0|0,0,1]=3 2999 B13R1.577 C=CCOc1cnc(c(c1)Cl)C=O 57436225fa97749020231d1edb0a545b [0,2,0,0,0,0|1,0,1]=4 3000 B13R1.577 C=CCOc1cnc(c(c1)F)C=O a9484a320b744b86208b1098d5e72d3e [0,2,0,0,0,0|1,0,1]=4 3001 B13R1.577 C=Cc1ccc(cc1F)NCCBr 533692711f1b73d272d1c04f67da61ca [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.577 C=Cc1ccc(cc1F)NCCC 01592893b6a69062b9970b1229c61b93 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.577 C=Cc1ccc(cc1F)NCCF af0b2825dbfdd90d69f2c50f66aec0c2 [0,2,0,0,0,0|2,0,0]=4 3004 B13R1.577 C=Cc1ccc(cc1F)NCCI 78e86665cf1213909309a397ebacdf7a [0,2,0,0,0,0|2,0,0]=4 3005 B13R1.577 C=Cc1ccc(cc1F)NCCO 18b2119bf55136ed91bbf99ef48d0486 [0,2,0,0,0,0|2,0,0]=4 3006 B13R1.577 C=Cc1ccc(cc1F)NCCS 0d39a206d37bb3ad5da532eea92d208f [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.577 C=Cc1ccc(cc1O)NCCBr 6980550f4c860df24c9928d95f4aad66 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.577 C=Cc1ccc(cc1O)NCCC a69e2428827c6428790912279b17af2d [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.577 C=Cc1ccc(cc1O)NCCI f8d552e7a5764f8e1ad8de970032db71 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.577 C=Cc1ccc(cc1O)NCCO 0a0e4979f4f435ecd02ba46d2657dc75 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.577 C=Cc1ccc(cc1O)NCCS 55ccfd2ca462ba5b7f003d7c4df5313b [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.577 CCCNc1ccc(c(c1)Br)C=O 3e67d97abac8a654fdc5c60295ea0d0e [0,2,0,0,0,0|1,0,0]=3 3013 B13R1.577 CCCNc1ccc(c(c1)C)C=O 3218d55012ff8f49195ef879a5da1a6c [0,2,0,0,0,0|1,0,0]=3 3014 B13R1.577 CCCNc1ccc(c(c1)Cl)C=O e2bc446d8513eb1204d8ebcbb1697ab8 [0,2,0,0,0,0|1,0,0]=3 3015 B13R1.577 CCCNc1ccc(c(c1)F)C=O 6f2512064d5a3e02c2c41abe9dee1a47 [0,2,0,0,0,0|1,0,0]=3 3016 B13R1.577 CCCNc1ccc(c(n1)C)C=O 4bb21dd9a3ee2aeaff445355f976929e [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 52b7d13f9c660f05368848e5349bb663 [0,2,0,0,0,0|1,0,1]=4 3018 B13R1.577 CCCOc1ccc(c(c1)Br)C=O 8e9f4ce66fa4b405b36f467a2d02e3f7 [0,2,0,0,0,0|0,0,0]=2 3019 B13R1.577 CCCOc1ccc(c(c1)Br)CC aa2d6766dbd2f3ee5a1536b8829eb7cf [0,2,0,0,0,0|1,0,1]=4 3020 B13R1.577 CCCOc1ccc(c(c1)Br)OC 8de8ddd67baa47c7c9413df550205abc [0,2,0,0,0,0|2,0,0]=4 3021 B13R1.577 CCCOc1ccc(c(c1)C)C#N 983ea114129dadcc6c034ff50d921f79 [0,2,0,0,0,0|1,0,1]=4 3022 B13R1.577 CCCOc1ccc(c(c1)C)C=O a577c6a9728af0e42bb6c8686d46336a [0,2,0,0,0,0|0,0,0]=2 3023 B13R1.577 CCCOc1ccc(c(c1)C)OC 037206438c1e3879a701ec2428909fb8 [0,2,0,0,0,0|2,0,0]=4 3024 B13R1.577 CCCOc1ccc(c(c1)C)SC f90c0d092e3f4fb33e7d07d605aaa528 [0,2,0,0,0,0|2,0,0]=4 3025 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N ebcbd9e6ee12276a148ed4ced00db19c [0,2,0,0,0,0|1,0,1]=4 3026 B13R1.577 CCCOc1ccc(c(c1)Cl)C=O 5b45b90bb448669435ba17a46da55081 [0,2,0,0,0,0|0,0,0]=2 3027 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 810f5fb566ab68ed72ac46f434a56850 [0,2,0,0,0,0|1,0,1]=4 3028 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 3a415dbb5222d12919535da1a615c297 [0,2,0,0,0,0|2,0,0]=4 3029 B13R1.577 CCCOc1ccc(c(c1)Cl)SC 2e1aae38f630ef34a395f1081e5133ed [0,2,0,0,0,0|2,0,0]=4 3030 B13R1.577 CCCOc1ccc(c(c1)F)C#N c25d41db67d88fd4c486c7fa624b77c0 [0,2,0,0,0,0|1,0,1]=4 3031 B13R1.577 CCCOc1ccc(c(c1)F)C=O 9581737faf3da34ce82e3f825f6a5427 [0,2,0,0,0,0|0,0,0]=2 3032 B13R1.577 CCCOc1ccc(c(c1)F)CC 6c3349225f6dc532b991864ad125a7a7 [0,2,0,0,0,0|1,0,1]=4 3033 B13R1.577 CCCOc1ccc(c(c1)F)OC 6105557333b186c93cc0f6cc0df17d08 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.577 CCCOc1ccc(c(c1)F)SC 16420a970776e5015e060d6f1c81e3cf [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.577 CCCOc1ccc(c(c1)I)C#N 59880ccb3953a325b09becaaf3fd0b3f [0,2,0,0,0,0|1,0,1]=4 3036 B13R1.577 CCCOc1ccc(c(c1)I)C=O aea2214f91ec8c4ae9e5538655ce5067 [0,2,0,0,0,0|0,0,0]=2 3037 B13R1.577 CCCOc1ccc(c(c1)I)OC 341d987cd8f478c776ab635a202e1b8c [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.577 CCCOc1cnc(c(c1)Cl)C=O 35f8c372b2f3b4ec31f26587712f469f [0,2,0,0,0,0|1,0,0]=3 3039 B13R1.577 CCCOc1cnc(c(c1)F)C=O 3557db08448639849fd877470ee0f867 [0,2,0,0,0,0|1,0,0]=3 3040 B13R1.577 CCOCc1ccc(c(c1)Br)C#N 1571fa42724c68ad9a00eb743296cbca [0,2,0,0,0,0|1,0,1]=4 3041 B13R1.577 CCOCc1ccc(c(c1)Br)C=O 7dca1a07ecc4cc9357644d657c85b60e [0,2,0,0,0,0|0,0,0]=2 3042 B13R1.577 CCOCc1ccc(c(c1)Br)OC 1b865a83bc90f1b7c3d1f37334df8003 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.577 CCOCc1ccc(c(c1)C)C=O 108c14b2ceee715210f8e97aa7125537 [0,2,0,0,0,0|0,0,0]=2 3044 B13R1.577 CCOCc1ccc(c(c1)C)OC e451e8789f89ceeaefafa832417bab46 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.577 CCOCc1ccc(c(c1)Cl)C#N 5b83c17488b094c02c707a1e24658cdf [0,2,0,0,0,0|1,0,1]=4 3046 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 77f2ab94d283f32f2e04321b42c1bbf5 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.577 CCOCc1ccc(c(c1)F)C#N 0caf7454a200c946ea7025252db245c3 [0,2,0,0,0,0|1,0,1]=4 3048 B13R1.577 CCOCc1ccc(c(c1)F)OC ad24e10d5be9d228e4e07066ec91544c [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.577 CCOCc1ccc(c(c1)F)SC 4d7b3598b04edc43b71b778aa4008905 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.577 CCOCc1ccc(c(c1)I)OC ffbfd24f0245d93d6ef7e4785e44d779 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.577 CCc1ccc(cc1Br)OCCF 7c8f59b19b06f0081234299cb3004f61 [0,2,0,0,0,0|1,0,1]=4 3052 B13R1.577 CCc1ccc(cc1Br)OCCS ddc8da6c8d4a82e23a7ce75a7e654c81 [0,2,0,0,0,0|1,0,1]=4 3053 B13R1.577 CCc1ccc(cc1Br)OCOC 99efc23c476e3eb29d6bc46a4566ec4c [0,2,0,0,0,0|1,0,1]=4 3054 B13R1.577 CCc1ccc(cc1Br)OCSC 52b081ab78b0a824c20d767f08f0d171 [0,2,0,0,0,0|1,0,1]=4 3055 B13R1.577 CCc1ccc(cc1Cl)OCCF 7b3d8d0107a5b6daaeeb4d49ade8895d [0,2,0,0,0,0|1,0,1]=4 3056 B13R1.577 CCc1ccc(cc1Cl)OCCS 9ab2f8c3ab31096fa2c8ca24d33da886 [0,2,0,0,0,0|1,0,1]=4 3057 B13R1.577 CCc1ccc(cc1Cl)OCOC c8eae77c5de74e39f46b07679700a732 [0,2,0,0,0,0|1,0,1]=4 3058 B13R1.577 CCc1ccc(cc1Cl)OCSC b525c7c516b849efac1d6a3b7965b5c9 [0,2,0,0,0,0|1,0,1]=4 3059 B13R1.577 CCc1ccc(cc1F)OCCF 4e8e03d5f7d6b8e5c0eb4fc52e03e83f [0,2,0,0,0,0|1,0,1]=4 3060 B13R1.577 CCc1ccc(cc1F)OCCS 69a00cddeb5e4058ef4775644fd70648 [0,2,0,0,0,0|1,0,1]=4 3061 B13R1.577 CCc1ccc(cc1F)OCOC 68c7608d8c75cc614a09046af535cfc8 [0,2,0,0,0,0|1,0,1]=4 3062 B13R1.577 CCc1ccc(cc1F)OCSC 574c1b06194a04413f50fdca2c4c5701 [0,2,0,0,0,0|1,0,1]=4 3063 B13R1.577 COCNc1ccc(c(c1)Br)C=O 11bdcdee303120f63529b0a50e2136cd [0,2,0,0,0,0|1,0,0]=3 3064 B13R1.577 COCNc1ccc(c(c1)Cl)C=O f68b33605f2bebebb914816a4a8b393f [0,2,0,0,0,0|1,0,0]=3 3065 B13R1.577 COCNc1ccc(c(c1)F)C=O a17797a6c37ea10e57e75008946ee761 [0,2,0,0,0,0|1,0,0]=3 3066 B13R1.577 COCNc1ccc(c(n1)C)C=O 6d69fd9f0fabd9b2d28bd2df963bd11c [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.577 COCOc1ccc(c(c1)Br)C#N aad1189f481822ac86dd5eaea17ed72a [0,2,0,0,0,0|1,0,1]=4 3068 B13R1.577 COCOc1ccc(c(c1)Br)C=O 589aa3023a9a7c9bd0b2993d6d03c3d5 [0,2,0,0,0,0|0,0,0]=2 3069 B13R1.577 COCOc1ccc(c(c1)Br)OC c2ca36be748592ae197df31e5484c866 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.577 COCOc1ccc(c(c1)C)C#N 3e6e2b64ffc6506ac75e578d1df6b0cb [0,2,0,0,0,0|1,0,1]=4 3071 B13R1.577 COCOc1ccc(c(c1)C)C=O 95723b11ba14cef60d96a45d6454cf3e [0,2,0,0,0,0|0,0,0]=2 3072 B13R1.577 COCOc1ccc(c(c1)C)OC c978d83b9106732fc2f2d2cc097bf6b4 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.577 COCOc1ccc(c(c1)C)SC 830eee1455a6d4c6dc7ccda362cf85a1 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.577 COCOc1ccc(c(c1)Cl)C#N 614309d8ad2bd17005245bcf2d4b50f7 [0,2,0,0,0,0|1,0,1]=4 3075 B13R1.577 COCOc1ccc(c(c1)Cl)C=O 9e709bf6ebeef123b63b1174960e0513 [0,2,0,0,0,0|0,0,0]=2 3076 B13R1.577 COCOc1ccc(c(c1)Cl)OC 7e137e77d0bd88519bd414ce3e7da718 [0,2,0,0,0,0|2,0,0]=4 3077 B13R1.577 COCOc1ccc(c(c1)Cl)SC 04272316cd860f9709f1355c74e26d39 [0,2,0,0,0,0|2,0,0]=4 3078 B13R1.577 COCOc1ccc(c(c1)F)C#N 8ba4591295ccfc4107132c7fd541f5f3 [0,2,0,0,0,0|1,0,1]=4 3079 B13R1.577 COCOc1ccc(c(c1)F)C=O 4319fa1a3329619d8f857cd6c7b9a248 [0,2,0,0,0,0|0,0,0]=2 3080 B13R1.577 COCOc1ccc(c(c1)F)OC 117e79f909a827d8b5fbc92ace12f365 [0,2,0,0,0,0|2,0,0]=4 3081 B13R1.577 COCOc1ccc(c(c1)F)SC 0bcf211e77594d682f0eb5b60f9e0d61 [0,2,0,0,0,0|2,0,0]=4 3082 B13R1.577 COCOc1ccc(c(c1)I)C#N 0ff577b1f592234e5b4c3bdbef6a8814 [0,2,0,0,0,0|1,0,1]=4 3083 B13R1.577 COCOc1ccc(c(c1)I)C=O 9015a5f6989bad0f61ebf98ac3fb44a6 [0,2,0,0,0,0|0,0,0]=2 3084 B13R1.577 COCOc1ccc(c(c1)I)OC a08b7b8df0c263afe9cb4ac30343eac2 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.577 COCOc1cnc(c(c1)Cl)C=O 16c09231f84a50db77af2266a9f3f251 [0,2,0,0,0,0|1,0,0]=3 3086 B13R1.577 COCOc1cnc(c(c1)F)C=O cebd5372a0072da6117a6e4d8dbc56cd [0,2,0,0,0,0|1,0,0]=3 3087 B13R1.577 COc1ccc(cc1Br)OCCF c34a893a2c323f7f67dc53119da6200a [0,2,0,0,0,0|2,0,0]=4 3088 B13R1.577 COc1ccc(cc1Br)OCCS fba1925075495afb58d71cfdf800e572 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.577 COc1ccc(cc1Br)OCSC 2798bbd8f45abb10f7edf5f63c6a46a4 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.577 COc1ccc(cc1C)OCCF c0e9f15a7e22a6e284b0a9e30a48c31a [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.577 COc1ccc(cc1C)OCCS 117237df570a62b2336c6b8055eb6b64 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.577 COc1ccc(cc1C)OCSC a1e2cb5c35c1c1b8fda2a065628a9ff3 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.577 COc1ccc(cc1Cl)OCCF 9dfda5d8c7f2a7f31c60dfbbe1175f03 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.577 COc1ccc(cc1Cl)OCCS 7cae99def2d799c89a31841c847d202b [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.577 COc1ccc(cc1Cl)OCSC 03112b84b0159fececc9a20bdffb2d5d [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.577 COc1ccc(cc1F)OCCF 8907a4d29721aee5ae6b75ec1084f22b [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.577 COc1ccc(cc1F)OCCS 4499ff46c33968e56fa07742b4a01b2b [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.577 COc1ccc(cc1F)OCSC 5216f71f7f60dd082d22b62c00974113 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.577 COc1ccc(cc1I)OCCF 3394080fcd0a3eca5be84c5b61976704 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.577 COc1ccc(cc1I)OCCS 1a264504bfa75a4bc0fc65f2b01e7a30 [0,2,0,0,0,0|2,0,0]=4 3101 B13R1.577 COc1ccc(cc1I)OCSC 9192e3f5a736f687d0c12bafec233be3 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.577 CSCNc1ccc(c(c1)Br)C=O 308b8dd5d1f78b8d4be9e7bd3f8875d5 [0,2,0,0,0,0|1,0,0]=3 3103 B13R1.577 CSCNc1ccc(c(c1)Cl)C=O 3cf6096534ae5f553f73df237634ad9c [0,2,0,0,0,0|1,0,0]=3 3104 B13R1.577 CSCNc1ccc(c(c1)F)C=O c2ba59dc8b176c2aab871690fe8a55a9 [0,2,0,0,0,0|1,0,0]=3 3105 B13R1.577 CSCNc1ccc(c(n1)C)C=O 81391828cc0f5c912616c8457c344ee9 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.577 CSCOc1ccc(c(c1)Br)C#N 11c00f72a0e5f7cf470657375e2a30f3 [0,2,0,0,0,0|1,0,1]=4 3107 B13R1.577 CSCOc1ccc(c(c1)Br)C=O 85db93c43df634db5e7181537bfde9ac [0,2,0,0,0,0|0,0,0]=2 3108 B13R1.577 CSCOc1ccc(c(c1)C)C#N f18dbc797d2dc6d62484ddca3d09490e [0,2,0,0,0,0|1,0,1]=4 3109 B13R1.577 CSCOc1ccc(c(c1)C)C=O 0e425f4f7c8989678222dac10ccdec8e [0,2,0,0,0,0|0,0,0]=2 3110 B13R1.577 CSCOc1ccc(c(c1)C)SC 76b247f8e10f6a5fa92355b25839cceb [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.577 CSCOc1ccc(c(c1)Cl)C#N e0eea150d1ab17218b12b75ff3dc395d [0,2,0,0,0,0|1,0,1]=4 3112 B13R1.577 CSCOc1ccc(c(c1)Cl)C=O 955ae57b5339ce6b6b2fc7daf90a4227 [0,2,0,0,0,0|0,0,0]=2 3113 B13R1.577 CSCOc1ccc(c(c1)Cl)SC 2440bf6b212ce3140fd4dd2defb7d6ba [0,2,0,0,0,0|2,0,0]=4 3114 B13R1.577 CSCOc1ccc(c(c1)F)C#N 43fb9a086b9fa13b879f9b89df10baed [0,2,0,0,0,0|1,0,1]=4 3115 B13R1.577 CSCOc1ccc(c(c1)F)C=O 004c891e30b530dd2309d8514d27830c [0,2,0,0,0,0|0,0,0]=2 3116 B13R1.577 CSCOc1ccc(c(c1)F)SC 39552153ac324616ea593b038f175b81 [0,2,0,0,0,0|2,0,0]=4 3117 B13R1.577 CSCOc1ccc(c(c1)I)C#N caadfeb350a4cb612cf04accd21b2949 [0,2,0,0,0,0|1,0,1]=4 3118 B13R1.577 CSCOc1ccc(c(c1)I)C=O d0622ee02b1a1495b490171b047d909c [0,2,0,0,0,0|0,0,0]=2 3119 B13R1.577 CSCOc1cnc(c(c1)Cl)C=O be4811e72436137173dfa6a204b37332 [0,2,0,0,0,0|1,0,0]=3 3120 B13R1.577 CSCOc1cnc(c(c1)F)C=O 12f361ff05475aad1fa38dde21c723fe [0,2,0,0,0,0|1,0,0]=3 3121 B13R1.577 CSc1ccc(cc1C)OCCF 54ee351f5217cdd604cbdd7d2593e176 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.577 CSc1ccc(cc1C)OCCS db821a1d19495115ad48185eeeff017a [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.577 CSc1ccc(cc1Cl)OCCF 665155d5f152edb3748c81a88e759cde [0,2,0,0,0,0|2,0,0]=4 3124 B13R1.577 CSc1ccc(cc1Cl)OCCS d1d4f584813d57263eaa614ba9052c01 [0,2,0,0,0,0|2,0,0]=4 3125 B13R1.577 CSc1ccc(cc1F)OCCF 02740812473110baddff4011b146b0e8 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.577 CSc1ccc(cc1F)OCCS 761dd9a80bd2f0a3095a7dbc288f5dc9 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.577 Cc1cc(ccc1C#N)OCCF b25a56d5d47e4dd80478ff35136fd0c1 [0,2,0,0,0,0|1,0,1]=4 3128 B13R1.577 Cc1cc(ccc1C#N)OCCS 31bad45230adf65186851c4011b1d40f [0,2,0,0,0,0|1,0,1]=4 3129 B13R1.577 Cc1cc(ccc1C=O)COCF 8f1f2be98a8f997d8c6b01faa059c83e [0,2,0,0,0,0|1,0,0]=3 3130 B13R1.577 Cc1cc(ccc1C=O)NCCO ef4abc71da62328364c90f8e056021d6 [0,2,0,0,0,0|1,0,0]=3 3131 B13R1.577 Cc1cc(ccc1C=O)NCCS c43e575e25b6c32a0f0aaddd6b66689c [0,2,0,0,0,0|1,0,0]=3 3132 B13R1.577 Cc1cc(ccc1C=O)OCC#N cb2e8442eaac03b51c33f3b1e3720cf5 [0,2,0,0,0,0|0,0,1]=3 3133 B13R1.577 Cc1cc(ccc1C=O)OCC=O 513ae3e9222b8921ba412cd7c6e0bf39 [0,2,0,0,0,0|0,0,1]=3 3134 B13R1.577 Cc1cc(ccc1C=O)OCCF d1326544068b75f9426a92d2a54d0ff0 [0,2,0,0,0,0|0,0,0]=2 3135 B13R1.577 Cc1cc(ccc1C=O)OCCS c67cde01af4021b0eb06ffaef51b4628 [0,2,0,0,0,0|0,0,0]=2 3136 B13R1.577 Cc1nc(ccc1C=O)NCCF f82d47ffa339da2799cdf5d12c10178a [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.577 Cc1nc(ccc1C=O)NCCO 963fc63fdd4ae58abf70aea73837d95a [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.577 Cc1nc(ccc1C=O)NCCS 3eb2d76eae72c49292e49d090f3c584a [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.577 N#CCNc1ccc(c(c1)Br)C=O e656f1779faf9c8b40bc1fd4de57e72e [0,2,0,0,0,0|1,0,1]=4 3140 B13R1.577 N#CCNc1ccc(c(c1)Cl)C=O 022ebc71368cd6c067298d1d083052a5 [0,2,0,0,0,0|1,0,1]=4 3141 B13R1.577 N#CCNc1ccc(c(c1)F)C=O 9e2ac3fb3810e39a102c57d19837ce2a [0,2,0,0,0,0|1,0,1]=4 3142 B13R1.577 N#CCOc1ccc(c(c1)Br)C=O 1cb7237249991fb64530b46081e0e056 [0,2,0,0,0,0|0,0,1]=3 3143 B13R1.577 N#CCOc1ccc(c(c1)Cl)C=O c80456ba6ac9d0189e71b3c1aa3062e7 [0,2,0,0,0,0|0,0,1]=3 3144 B13R1.577 N#CCOc1ccc(c(c1)F)C=O 210a02837f20c79cb86e84554c160aa6 [0,2,0,0,0,0|0,0,1]=3 3145 B13R1.577 N#CCOc1ccc(c(c1)I)C=O b11db065b78f11c35b339b32389caba2 [0,2,0,0,0,0|0,0,1]=3 3146 B13R1.577 N#CCOc1cnc(c(c1)Cl)C=O 37bbcbb03345bd04c59dbafa9e8e2675 [0,2,0,0,0,0|1,0,1]=4 3147 B13R1.577 N#CCOc1cnc(c(c1)F)C=O 39e4f5712f517441a0f46f7e04b999f7 [0,2,0,0,0,0|1,0,1]=4 3148 B13R1.577 N#Cc1ccc(cc1Br)OCCF ac8a826c369aa78e8273fa6340c14354 [0,2,0,0,0,0|1,0,1]=4 3149 B13R1.577 N#Cc1ccc(cc1Br)OCCS dc4cca97e2cc26b4e81b831b9322d996 [0,2,0,0,0,0|1,0,1]=4 3150 B13R1.577 N#Cc1ccc(cc1Cl)OCCF 3bf3165919b4203d2370d8cc2984fa4d [0,2,0,0,0,0|1,0,1]=4 3151 B13R1.577 N#Cc1ccc(cc1Cl)OCCS 838d46f2b99e8526ca9c3b87f2218e22 [0,2,0,0,0,0|1,0,1]=4 3152 B13R1.577 N#Cc1ccc(cc1F)OCCF ead66213e6fafade4c637f24c9accbba [0,2,0,0,0,0|1,0,1]=4 3153 B13R1.577 N#Cc1ccc(cc1F)OCCS b430258bb269bb4f623d2ac1eef20891 [0,2,0,0,0,0|1,0,1]=4 3154 B13R1.577 N#Cc1ccc(cc1I)OCCF 0dfb934268cf253fb90c499038f9de8c [0,2,0,0,0,0|1,0,1]=4 3155 B13R1.577 N#Cc1ccc(cc1I)OCCS 9c547e6c5d25ade7f41094d64ef488bb [0,2,0,0,0,0|1,0,1]=4 3156 B13R1.577 O=CCNc1ccc(c(c1)Br)C=O 6ebe2021c0e9f671735a75cd06c59ab4 [0,2,0,0,0,0|1,0,1]=4 3157 B13R1.577 O=CCNc1ccc(c(c1)Cl)C=O 040a4e4290ec794cc963eac542cb242f [0,2,0,0,0,0|1,0,1]=4 3158 B13R1.577 O=CCNc1ccc(c(c1)F)C=O a9e5b12ee0c28cc2b9d54ab932714c6e [0,2,0,0,0,0|1,0,1]=4 3159 B13R1.577 O=CCOc1ccc(c(c1)Br)C=O b3b77b92e567ac92b0d1f2c0dd5976b2 [0,2,0,0,0,0|0,0,1]=3 3160 B13R1.577 O=CCOc1ccc(c(c1)Cl)C=O aae0005433b62d3863fa97c53747edf0 [0,2,0,0,0,0|0,0,1]=3 3161 B13R1.577 O=CCOc1ccc(c(c1)F)C=O 3755809cabdf6640f380574e36cb45cd [0,2,0,0,0,0|0,0,1]=3 3162 B13R1.577 O=CCOc1ccc(c(c1)I)C=O df80f5032472e49b500359c70a07a2c6 [0,2,0,0,0,0|0,0,1]=3 3163 B13R1.577 O=CCOc1cnc(c(c1)Cl)C=O 6789d764da78057a0d6ac91e2b0f8ada [0,2,0,0,0,0|1,0,1]=4 3164 B13R1.577 O=CCOc1cnc(c(c1)F)C=O 2cdc72f3a2f8d7b3db94173a93f2094e [0,2,0,0,0,0|1,0,1]=4 3165 B13R1.577 O=Cc1ccc(cc1Br)COCF 35f37ea65d8b8ad91b914afbd8c1df0c [0,2,0,0,0,0|1,0,0]=3 3166 B13R1.577 O=Cc1ccc(cc1Br)NCCF d015c573a8d2d804ca3a5ef42b0f88cd [0,2,0,0,0,0|1,0,0]=3 3167 B13R1.577 O=Cc1ccc(cc1Br)NCCO 49d179103b5916a0b534a669cd0002c2 [0,2,0,0,0,0|1,0,0]=3 3168 B13R1.577 O=Cc1ccc(cc1Br)NCCS cf7fffecef66852fadfda341fa0efeff [0,2,0,0,0,0|1,0,0]=3 3169 B13R1.577 O=Cc1ccc(cc1Br)OCCF 3d2377188a3e9fa82fd9f2aa0905e345 [0,2,0,0,0,0|0,0,0]=2 3170 B13R1.577 O=Cc1ccc(cc1Br)OCCS 0f1efea139e5f51be42d0bdb637b28cd [0,2,0,0,0,0|0,0,0]=2 3171 B13R1.577 O=Cc1ccc(cc1Cl)NCCF ebdd8e3a7db78c00a65172b72d6e1f50 [0,2,0,0,0,0|1,0,0]=3 3172 B13R1.577 O=Cc1ccc(cc1Cl)NCCO dcc89adb3c248abdf65cd7ad45460a86 [0,2,0,0,0,0|1,0,0]=3 3173 B13R1.577 O=Cc1ccc(cc1Cl)NCCS 001ce918ea6bf8734deb9ea2040309b7 [0,2,0,0,0,0|1,0,0]=3 3174 B13R1.577 O=Cc1ccc(cc1Cl)OCCF 49b9b895cd35d68c99173d70abde678d [0,2,0,0,0,0|0,0,0]=2 3175 B13R1.577 O=Cc1ccc(cc1Cl)OCCS 26a260938f64862d97beb8b290d21390 [0,2,0,0,0,0|0,0,0]=2 3176 B13R1.577 O=Cc1ccc(cc1F)NCCBr b08c4ac13248131f6e5cdfc5d7994e73 [0,2,0,0,0,0|1,0,0]=3 3177 B13R1.577 O=Cc1ccc(cc1F)NCCF c0b91049f464335eeaf73007ed5ec50b [0,2,0,0,0,0|1,0,0]=3 3178 B13R1.577 O=Cc1ccc(cc1F)NCCI 55c392b5dca68a6c5a01b2b227066b9a [0,2,0,0,0,0|1,0,0]=3 3179 B13R1.577 O=Cc1ccc(cc1F)NCCO ff124be17b5ad982b12dc089b7a2a4d2 [0,2,0,0,0,0|1,0,0]=3 3180 B13R1.577 O=Cc1ccc(cc1F)NCCS 0a3ea01304a9000220fa08bc3c2ace03 [0,2,0,0,0,0|1,0,0]=3 3181 B13R1.577 O=Cc1ccc(cc1F)OCCF 5e80e4a3cbf819504b10084f74e2267f [0,2,0,0,0,0|0,0,0]=2 3182 B13R1.577 O=Cc1ccc(cc1F)OCCS 20ee585d4011b82fbaac2f26ef96b077 [0,2,0,0,0,0|0,0,0]=2 3183 B13R1.577 O=Cc1ccc(cc1I)OCCF 54158f4df1cd0670bad7aa5246e7fc9c [0,2,0,0,0,0|0,0,0]=2 3184 B13R1.577 O=Cc1ccc(cc1I)OCCS a25faef19731ff38798c63e974a7aac2 [0,2,0,0,0,0|0,0,0]=2 3185 B13R1.577 O=Cc1ccc(cc1O)NCCS 4efed9f276097a288733764eb0e95cbb [0,2,0,0,0,0|1,0,0]=3 3186 B13R1.577 O=Cc1ncc(cc1Cl)OCCF 5eda77c330a4dd66c655c6f9eaf17bbf [0,2,0,0,0,0|1,0,0]=3 3187 B13R1.577 O=Cc1ncc(cc1Cl)OCCS dcd773ffc609b937cc3bb73e69f78d2a [0,2,0,0,0,0|1,0,0]=3 3188 B13R1.577 O=Cc1ncc(cc1F)OCCF 2f4a6ec65857b39fd280c420965bab4b [0,2,0,0,0,0|1,0,0]=3 3189 B13R1.577 O=Cc1ncc(cc1F)OCCS 57a78432fa3ed901b8ed21585524c8d3 [0,2,0,0,0,0|1,0,0]=3 3190 B13R1.577 O=Cc1ncc(cc1O)NCCS d540780edddc4decc430a65ba9395eb6 [0,2,0,0,0,0|2,0,0]=4 3191 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 0c83d5cd87119024ca04835d5e5e77f5 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)O 679432178f1969127b74b75f8248b69e [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 218cf34fec20cb444f5f944bee2c7458 [0,2,0,0,0,0|1,0,1]=4 3194 B13R1.140 CCOc1ccc(cc1)C(C)(F)F fdab30d6e888fc5d79b486394e458e4c [0,2,0,0,0,0|1,0,1]=4 3195 B13R1.140 CCOc1ccc(cc1)C(F)(F)F 95102a37fef212a2b38ef75c145e8965 [0,2,0,0,0,0|1,0,1]=4 3196 B13R1.140 CCOc1ccc(cc1)S(=N)(=O)C d70db655677c3668a35da380035704e6 [0,2,0,0,0,0|1,0,0]=3 3197 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C c21e6bc041b69b216c4aac4be1e844d3 [0,2,0,0,0,0|1,0,0]=3 3198 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)O 33ea47da5f00ace027d3ee5298a7fcaf [0,2,0,0,0,0|1,0,0]=3 3199 B13R1.140 CCOc1ccc(cn1)S(=O)(=O)O 69b3de1f417445c544356009a9f64826 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.140 CCOc1ccc(nc1)S(=O)(=O)C 07adbdcc6bfd803c279366f717da4c3a [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.140 CS(=N)(=O)c1ccc(cc1)OCF c7e7e02133c6b909995b735e4b67732b [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 0c78255b820b8f1c3dbadaabc1c778fa [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.140 O=S(=O)(O)c1ccc(cc1)OCF eb9b628515965d62184b98640048c338 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.144 CC(=O)c1ccc(c(c1)Br)NCF e73f795b14fc150ac1ac6eebb82e2247 [0,2,0,0,0,0|2,0,0]=4 3205 B13R1.144 CC(=O)c1ccc(c(c1)Br)NCO 893afe91df243fc09a8f248969890529 [0,2,0,0,0,0|2,0,0]=4 3206 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF aa5284a7a5c9b508fb6cb612338b583e [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.144 CC(=O)c1ccc(c(c1)C)NCF 0c6fc7d7e4026c4a5847a6eb317ac513 [0,2,0,0,0,0|2,0,0]=4 3208 B13R1.144 CC(=O)c1ccc(c(c1)C)NCO 9c31bd05cc29e9173802a63625248498 [0,2,0,0,0,0|2,0,0]=4 3209 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 0ab1364512284ca1119e55ae03b15c59 [0,2,0,0,0,0|1,0,0]=3 3210 B13R1.144 CC(=O)c1ccc(c(c1)Cl)NCF 563d6d4434618f609a1143eb2f96d1b4 [0,2,0,0,0,0|2,0,0]=4 3211 B13R1.144 CC(=O)c1ccc(c(c1)Cl)NCO eec297d8fdcede6fe09090ba77811d89 [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 708e73d5ce7eed48a12e9130b81a3fd4 [0,2,0,0,0,0|1,0,0]=3 3213 B13R1.144 CC(=O)c1ccc(c(c1)F)NCF 326f9fc4691fc33b85b7d211c661b459 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.144 CC(=O)c1ccc(c(c1)F)NCO fd2465bc95db3f4752598a44aefce58c [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 8ecdc65e0b7d7efe30bc2f35fd76faf4 [0,2,0,0,0,0|1,0,0]=3 3216 B13R1.144 CC(=O)c1ccc(c(c1)I)NCF afe738461145933e2e28be81f3e4adbd [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.144 CC(=O)c1ccc(c(c1)I)NCO 2c2d73c79d15a62795ba5912b781fa4e [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.144 CC(=O)c1ccc(c(c1)I)OCF 70c981f998e785000d974f3ca2bf8ea5 [0,2,0,0,0,0|1,0,0]=3 3219 B13R1.144 CCNc1ccc(cc1Br)C(=O)C 52d133c7816a1bcd2a4a51e78951c9dc [0,2,0,0,0,0|1,0,0]=3 3220 B13R1.144 CCNc1ccc(cc1Br)[N+](=O)[O-] e640308bfd4734f63c12be4811dc7ca5 [0,2,0,0,0,0|2,0,0]=4 3221 B13R1.144 CCNc1ccc(cc1C)C(=O)C 488465bd577fa8c5af674a02fcc7d5dc [0,2,0,0,0,0|1,0,0]=3 3222 B13R1.144 CCNc1ccc(cc1C)C(=O)N 472dd55ae7b906e9d9bd13144ef30cd0 [0,2,0,0,0,0|1,0,0]=3 3223 B13R1.144 CCNc1ccc(cc1C)C(=O)O b854bad33730ae2d4fe467b0e18e19ad [0,2,0,0,0,0|1,0,0]=3 3224 B13R1.144 CCNc1ccc(cc1Cl)C(=O)C 8724bcc30878d54b0342562e675cb4c6 [0,2,0,0,0,0|1,0,0]=3 3225 B13R1.144 CCNc1ccc(cc1Cl)C(=O)N ef6c34d8c839ec0f5c1a7c0790155ddf [0,2,0,0,0,0|1,0,0]=3 3226 B13R1.144 CCNc1ccc(cc1Cl)C(=O)O 940de300ef7671e7b2aceeef6547c9a4 [0,2,0,0,0,0|1,0,0]=3 3227 B13R1.144 CCNc1ccc(cc1Cl)[N+](=O)[O-] d4bdafc129f79f083df85962f36ec1c7 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.144 CCNc1ccc(cc1F)C(=O)C 6d033e2fc3ba1a5975973d7d79abb752 [0,2,0,0,0,0|1,0,0]=3 3229 B13R1.144 CCNc1ccc(cc1F)C(=O)N f37fa70d2fc284d363fe7b5f81eb5c98 [0,2,0,0,0,0|1,0,0]=3 3230 B13R1.144 CCNc1ccc(cc1F)C(=O)O 0dc314c23a838031994925f71bd02491 [0,2,0,0,0,0|1,0,0]=3 3231 B13R1.144 CCNc1ccc(cc1F)[N+](=O)[O-] 96ac19c1f83b801b2674c52cc0030349 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.144 CCNc1ccc(cc1I)C(=O)C 109e45e10f99347785cf1e5dc4cefaf3 [0,2,0,0,0,0|1,0,0]=3 3233 B13R1.144 CCNc1ccc(cc1I)C(=O)O 6a0daac9010a57916dfbd910291b1f90 [0,2,0,0,0,0|1,0,0]=3 3234 B13R1.144 CCNc1ccc(cc1I)[N+](=O)[O-] a97a40c77f0ecedf791b29f714a34191 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.144 CCNc1ccc(cc1S)C(=O)O accd5ddf52a8cc28b547bc32ab534006 [0,2,0,0,0,0|1,0,0]=3 3236 B13R1.144 CCNc1ccc(nc1Br)C(=O)O 017000cff46d911aa4f2887602d47d40 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.144 CCNc1ccc(nc1C)C(=O)C ceabbf74aa9f1e3763b389a3bde4de17 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.144 CCNc1ccc(nc1C)C(=O)O 08936b29a6bff10fe3edc96dfdac6ac6 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.144 CCNc1cnc(cc1C)C(=O)C 708fbf88dd57209a1b6cd4905011af89 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.144 CCNc1cnc(cc1Cl)C(=O)O d1ac0fd4cf5ebb67c66591470bc8ba40 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.144 CCNc1ncc(cc1Br)C(=O)O 4d846e771854605f6c3edd5fc2815667 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.144 CCNc1ncc(cc1C)C(=O)C 3b3920b7d846792a3793dae2ba150315 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.144 CCNc1ncc(cc1C)C(=O)O 4ac5707e18ac7cdfb5612682414aca05 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.144 CCNc1ncc(cc1Cl)C(=O)O 011f37dcc176328bc4681f5d87ef51f6 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.144 CCNc1ncc(cc1F)C(=O)N 2bfb7e4ff588895de858480f555328f4 [0,2,0,0,0,0|2,0,0]=4 3246 B13R1.144 CCNc1ncc(cc1I)C(=O)O 5ef3de8b689b9325bb6c7b94387fdb06 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.144 CCOc1c[nH]c(cc1=O)C(=O)O 860ccaa010377fcb9742edab81fca52d [0,2,0,0,0,0|1,0,0]=3 3248 B13R1.144 CCOc1ccc([nH]c1=O)C(=O)O ac3682609ca2d0654b86f0d9a6d19e43 [0,2,0,0,0,0|1,0,0]=3 3249 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 37366e69aa06d235551f196b333b87f6 [0,2,0,0,0,0|0,0,0]=2 3250 B13R1.144 CCOc1ccc(cc1Br)C(=O)O 0aa5e693426ef588af2fe1ff79b22635 [0,2,0,0,0,0|0,0,0]=2 3251 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] be3b16cca4cce559753faa725217534c [0,2,0,0,0,0|1,0,0]=3 3252 B13R1.144 CCOc1ccc(cc1C)C(=O)C 5ec93fa03e5772b5e7e31f41d61e9cc3 [0,2,0,0,0,0|0,0,0]=2 3253 B13R1.144 CCOc1ccc(cc1C)C(=O)O 32acfe0f4b7fc35798658badc69a7eb5 [0,2,0,0,0,0|0,0,0]=2 3254 B13R1.144 CCOc1ccc(cc1C)C(C)C d0ed0d8aefd209e078500109064030be [0,2,0,0,0,0|1,0,1]=4 3255 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 7fe7a72ec166628b4f5c8a455efec8b2 [0,2,0,0,0,0|1,0,0]=3 3256 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 328e874f3726138f9f5741c6d63c62e1 [0,2,0,0,0,0|0,0,0]=2 3257 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N f5dd631230a04ec11f40f4a558b011b6 [0,2,0,0,0,0|0,0,0]=2 3258 B13R1.144 CCOc1ccc(cc1Cl)C(=O)O 396bb42ce88311f3e8136ebd01914ddd [0,2,0,0,0,0|0,0,0]=2 3259 B13R1.144 CCOc1ccc(cc1Cl)C(C)C f6eaf194d22d0d089c85eeea964446f9 [0,2,0,0,0,0|1,0,1]=4 3260 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 82da07949476c25a8baa84e9b38a2f41 [0,2,0,0,0,0|1,0,0]=3 3261 B13R1.144 CCOc1ccc(cc1F)C(=O)C c4fd916d14407dcd7221571f18d86e7d [0,2,0,0,0,0|0,0,0]=2 3262 B13R1.144 CCOc1ccc(cc1F)C(=O)N 572ebef8a5c63c3b3abc270deb552aa9 [0,2,0,0,0,0|0,0,0]=2 3263 B13R1.144 CCOc1ccc(cc1F)C(=O)O 6d746e467f03a426fce23d1ad1016290 [0,2,0,0,0,0|0,0,0]=2 3264 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 4cd36de96f90edf4cd5cf772f642ba37 [0,2,0,0,0,0|1,0,0]=3 3265 B13R1.144 CCOc1ccc(cc1I)C(=O)C 5fa21174a2bcc4284192ea1612413af8 [0,2,0,0,0,0|0,0,0]=2 3266 B13R1.144 CCOc1ccc(cc1I)C(=O)O 9da912edce5b497a73785926a526bf8d [0,2,0,0,0,0|0,0,0]=2 3267 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 014d75f1923d4d30bb9e2c307a1d3efb [0,2,0,0,0,0|1,0,0]=3 3268 B13R1.144 CCOc1ccc(nc1Br)[N+](=O)[O-] bbdc5300d7f7edb10109ac2096520983 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.144 CCOc1ccc(nc1C)C(=O)O 41aed61675c1e4eaecda75c0f03c4041 [0,2,0,0,0,0|1,0,0]=3 3270 B13R1.144 CCOc1ccc(nc1C)[N+](=O)[O-] fc62c0cb2cb84ca2d764cdb3642ecf95 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.144 CCOc1ccc(oc1=O)C(=O)O 26b2c9606d359a437753574826a9d63a [0,2,0,0,0,0|1,0,0]=3 3272 B13R1.144 CCOc1cnc(cc1C)[N+](=O)[O-] 065bb19c437e203c4c685b4accab9a13 [0,2,0,0,0,0|2,0,0]=4 3273 B13R1.144 CCOc1cnc(cc1Cl)C(=O)O d3ab0df5c16f8b27c007c2c59b184327 [0,2,0,0,0,0|1,0,0]=3 3274 B13R1.144 CCOc1ncc(cc1Br)C(=O)O a38b16332b65c6ba697dfb3a21ac0e49 [0,2,0,0,0,0|1,0,0]=3 3275 B13R1.144 CCOc1ncc(cc1C)C(=O)O c63a870e819013af098e8f0c401a6fb8 [0,2,0,0,0,0|1,0,0]=3 3276 B13R1.144 CCOc1ncc(cc1Cl)C(=O)O e4d846144ef3f4dd7d87337618647ff8 [0,2,0,0,0,0|1,0,0]=3 3277 B13R1.144 CCOc1ncc(cc1Cl)[N+](=O)[O-] efdfbfb4d726bd98d528746443224814 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.144 CCOc1ncc(cc1F)C(=O)O 6ef2ad0cf61b61aafca9a61a633d82ef [0,2,0,0,0,0|1,0,0]=3 3279 B13R1.144 CCOc1ncc(cc1F)[N+](=O)[O-] 08781ad37ddcef766febf49d4ef9be18 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.144 CCOc1ncc(cc1I)[N+](=O)[O-] c1aa68dfb1f9e725320219c6890bb033 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.144 Cc1cc(ccc1NCO)C(=O)N 985918eb007de0d5eba88ca8fd8eedc4 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.144 Cc1cc(ccc1NCO)C(=O)O 14acfca67170b03b27d1f1e7fcb1d740 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.144 Cc1cc(ccc1OCF)C(=O)O e3dea4047898c96750b7484e02e625ed [0,2,0,0,0,0|1,0,0]=3 3284 B13R1.144 Cc1cc(cnc1OCF)C(=O)O 9c9d74dbf1341f53d3b4cb26ff5c23fe [0,2,0,0,0,0|2,0,0]=4 3285 B13R1.144 Cc1nc(ccc1OCF)C(=O)O 9d067b760be59d5b6af61d4ad8aabcfa [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.144 NC(=O)c1ccc(c(c1)Cl)NCF 2264cd25eacaadbc0853bbb83b6a2358 [0,2,0,0,0,0|2,0,0]=4 3287 B13R1.144 NC(=O)c1ccc(c(c1)Cl)NCO 449de751b2a2cb3a7111c201ce616f4f [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 27a4d17eaeaabea4a21e64341586f717 [0,2,0,0,0,0|1,0,0]=3 3289 B13R1.144 NC(=O)c1ccc(c(c1)F)NCF a16220b8342843d867f68c1459c07a01 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.144 NC(=O)c1ccc(c(c1)F)NCO 8da41c0ce4ae7a3d5d061b522cbdb8e9 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.144 NC(=O)c1ccc(c(c1)F)OCF 82d0010b1bf38d08b03f8258b3e18e9e [0,2,0,0,0,0|1,0,0]=3 3292 B13R1.144 O=C(O)c1cc(=O)c(c[nH]1)OCF 32c8c533875c539ce55286d3524333e4 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.144 O=C(O)c1cc(c(cn1)OCF)Cl fb9fc824a1748c42d1c2caa557179fde [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.144 O=C(O)c1ccc(c(=O)[nH]1)OCF f8f645d2b9b5ec5f2c052ca7ac5727c0 [0,2,0,0,0,0|2,0,0]=4 3295 B13R1.144 O=C(O)c1ccc(c(=O)o1)OCF 40a0de7a70e67fe9af6d1704ec35ded9 [0,2,0,0,0,0|2,0,0]=4 3296 B13R1.144 O=C(O)c1ccc(c(c1)Br)OCF 775e0e697eb48aca68ce6556f5b22e6d [0,2,0,0,0,0|1,0,0]=3 3297 B13R1.144 O=C(O)c1ccc(c(c1)Cl)NCF 2f1db93592a14463924b0170ccd1b45e [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.144 O=C(O)c1ccc(c(c1)Cl)NCO 1cdc5628ad1a4f3c3db8105e9f58c54a [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.144 O=C(O)c1ccc(c(c1)Cl)OCF a63bb32c1c6c1fed1fab6f18f15a4211 [0,2,0,0,0,0|1,0,0]=3 3300 B13R1.144 O=C(O)c1ccc(c(c1)F)NCF 5a7bd021f7842c42fe927d5c4b9fea15 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.144 O=C(O)c1ccc(c(c1)F)NCO 0e8645f520913217b589b85051476398 [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.144 O=C(O)c1ccc(c(c1)F)OCF 7b8d2101b82d5f06131868cdc832bfc2 [0,2,0,0,0,0|1,0,0]=3 3303 B13R1.144 O=C(O)c1ccc(c(c1)I)NCF 42fc7481ea08f2bee055439a41a503a4 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.144 O=C(O)c1ccc(c(c1)I)NCO 999ca4738f65332c2570a8622cdc9018 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.144 O=C(O)c1ccc(c(c1)I)OCF 0f098110c29a38b3057d7d79ec2b9126 [0,2,0,0,0,0|1,0,0]=3 3306 B13R1.144 O=C(O)c1ccc(c(c1)S)NCF 749d181685900c44812c343765ac0c73 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.144 O=C(O)c1cnc(c(c1)Br)OCF 62475b40a4b5a9ae99691e6900069a0c [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.144 O=C(O)c1cnc(c(c1)Cl)OCF d463e691edfe303043c6b4b5077783f6 [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.144 O=C(O)c1cnc(c(c1)F)OCF 0d0b9f88278642300ac370aa07450ca0 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 3d221ea7de110577cc769e3a2f6d615c [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.385 CC(=O)c1ccc(cc1Br)NCF 1f3fa30260e07b51cde98dc182a6b8e3 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.385 CC(=O)c1ccc(cc1Br)NCO 144386dac7f0e905bb26d68d05b309c3 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 97e268ee207565e3cdfde3bc8b79d1b1 [0,2,0,0,0,0|1,0,0]=3 3314 B13R1.385 CC(=O)c1ccc(cc1C)OCF 0a023cdc96b7f933cb70d3ca74d629e0 [0,2,0,0,0,0|1,0,0]=3 3315 B13R1.385 CC(=O)c1ccc(cc1Cl)NCF 91757c9943c7c9bc8be2635bbd38463f [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.385 CC(=O)c1ccc(cc1Cl)NCO af96987dff3e359ee482cda91bd5257f [0,2,0,0,0,0|2,0,0]=4 3317 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF ae1839df9f62302487b9317f426b3b5d [0,2,0,0,0,0|1,0,0]=3 3318 B13R1.385 CC(=O)c1ccc(cc1F)NCF e624d50a099cfa0789f9fd9369ce6862 [0,2,0,0,0,0|2,0,0]=4 3319 B13R1.385 CC(=O)c1ccc(cc1F)NCO c9a33cb3db5237eb7f42be4583b39f80 [0,2,0,0,0,0|2,0,0]=4 3320 B13R1.385 CC(=O)c1ccc(cc1F)OCF eb7d0d7176f114109891bcaeb215b925 [0,2,0,0,0,0|1,0,0]=3 3321 B13R1.385 CCNc1cc(c(cn1)C(=O)N)C b63da7c7c4b0939f256e57798ba748a5 [0,2,0,0,0,0|2,0,0]=4 3322 B13R1.385 CCNc1cc(c(cn1)C(=O)O)C da07742a7ae0347879661cafb67b2b68 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.385 CCNc1cc(c(cn1)C(=O)O)Cl 542083a247d39d6042a2d45b9f736e71 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)C dfb1faf5d2bcd02e49d2b521b74a02ad [0,2,0,0,0,0|1,0,0]=3 3325 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)O 63088c3336cd12edfc76da88e77cfaa0 [0,2,0,0,0,0|1,0,0]=3 3326 B13R1.385 CCNc1ccc(c(c1)Br)[N+](=O)[O-] 4a3cededbd4b5cfd75d52aabbbe0d273 [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N b6bb4e53879c1ce4b66c45fb0a6b0a8d [0,2,0,0,0,0|1,0,0]=3 3328 B13R1.385 CCNc1ccc(c(c1)C)C(=O)O b68af022ab0616ee44747e6fc26cc8b6 [0,2,0,0,0,0|1,0,0]=3 3329 B13R1.385 CCNc1ccc(c(c1)C)[N+](=O)[O-] 329863e1aa04ee3040211a98742020a2 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)C e6618ca881cecdb3563284234cbca2c4 [0,2,0,0,0,0|1,0,0]=3 3331 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 48400afc8fc3fc47fca61f5870055b0c [0,2,0,0,0,0|1,0,0]=3 3332 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)O 3c335b7b1565b4e33b1adb27aa1f3b96 [0,2,0,0,0,0|1,0,0]=3 3333 B13R1.385 CCNc1ccc(c(c1)Cl)C(=S)N 85a2c8b425b61f53c24590982410d3f3 [0,2,0,0,0,0|1,1,0]=4 3334 B13R1.385 CCNc1ccc(c(c1)Cl)[N+](=O)[O-] 673f654296e2d5280a20dc254b645b77 [0,2,0,0,0,0|2,0,0]=4 3335 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C c486860c438b28db29d54f392fefe6df [0,2,0,0,0,0|1,0,0]=3 3336 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 87dd4f68dea0dd0b9cfab9b36287f465 [0,2,0,0,0,0|1,0,0]=3 3337 B13R1.385 CCNc1ccc(c(c1)F)C(=O)O efd3a4c16bfbed07c65985e7315afbfe [0,2,0,0,0,0|1,0,0]=3 3338 B13R1.385 CCNc1ccc(c(c1)F)[N+](=O)[O-] b221bc28e5f10e3931caddb0dcce4cea [0,2,0,0,0,0|2,0,0]=4 3339 B13R1.385 CCNc1ccc(c(c1)I)C(=O)O 72ee957beaeee162de82d3121e6495bb [0,2,0,0,0,0|1,0,0]=3 3340 B13R1.385 CCNc1ccc(c(n1)Br)C(=O)O 5832a44401afc75736198a7768b98928 [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.385 CCNc1ccc(c(n1)C)C(=O)O d953a475417fc071a4504b9ac207dc86 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.385 CCNc1ccc(c(n1)Cl)C(=O)O 48c14fdd6827c06b207c55529809b3cb [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.385 CCNc1ccc(c(n1)F)C(=O)N 69120dd9a6fff6a74eea1c626012fd2b [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.385 CCNc1ccc(c(n1)F)C(=O)O f708bf066d615d71517d25f5c2546060 [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.385 CCNc1cnc(c(c1)C)C(=O)O bc3ac68cd1e1652353a45c8ef0d8f662 [0,2,0,0,0,0|2,0,0]=4 3346 B13R1.385 CCNc1cnc(c(c1)F)C(=O)O 4076140ee3de9617cc7f38ba67e74ab1 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.385 CCOc1cc(c(cn1)C(=O)O)Br 871b77e6b3fe5e0c49cdf18b38e4ff29 [0,2,0,0,0,0|1,0,0]=3 3348 B13R1.385 CCOc1cc(c(cn1)C(=O)O)C 65781072e0597dab36e5035f993180ab [0,2,0,0,0,0|1,0,0]=3 3349 B13R1.385 CCOc1cc(c(cn1)C(=O)O)Cl 7999ac27225c8e08330ec3bf4fd7b5d6 [0,2,0,0,0,0|1,0,0]=3 3350 B13R1.385 CCOc1cc(c(cn1)[N+](=O)[O-])C 97596392d29fcc6d1cfc3c5eab064131 [0,2,0,0,0,0|2,0,0]=4 3351 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C ca2a0d63b31af9df2d6905fa8623fdec [0,2,0,0,0,0|0,0,0]=2 3352 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)O f22587f9ff61a1e497ddef02dd4884d4 [0,2,0,0,0,0|0,0,0]=2 3353 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] d076a6f55c8889fe7138c2d9f982723c [0,2,0,0,0,0|1,0,0]=3 3354 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 60c7fe0085581cce2ec5c907a42d063e [0,2,0,0,0,0|0,0,0]=2 3355 B13R1.385 CCOc1ccc(c(c1)C)C(=O)N fbf4f47dc3d349669d68c7ebc505ed0e [0,2,0,0,0,0|0,0,0]=2 3356 B13R1.385 CCOc1ccc(c(c1)C)C(=O)O 09e2e50315f11f8d88ffd75122e8c66a [0,2,0,0,0,0|0,0,0]=2 3357 B13R1.385 CCOc1ccc(c(c1)C)C(C)C a32edf9d320edf0cb5c922f1eb20cba5 [0,2,0,0,0,0|1,0,1]=4 3358 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 3905d45434211918343889e64db7df50 [0,2,0,0,0,0|1,0,0]=3 3359 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 3a9d97af6eac4fcb103ebf982142af36 [0,2,0,0,0,0|0,0,0]=2 3360 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 8ae6a1e9c52784ced6741fa06b14ac5b [0,2,0,0,0,0|0,0,0]=2 3361 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)O 8b3e4223c495d01534683bb9ae33a989 [0,2,0,0,0,0|0,0,0]=2 3362 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] feae077716ac0cc1c6b03aad684c6e06 [0,2,0,0,0,0|1,0,0]=3 3363 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 840acfbc16700abda3d55ad837d74103 [0,2,0,0,0,0|0,0,0]=2 3364 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7638c47abad21336d2b1ab2ffbcf2981 [0,2,0,0,0,0|0,0,0]=2 3365 B13R1.385 CCOc1ccc(c(c1)F)C(=O)O f0e6d31fc97b1e5152fc77c43d0e54f7 [0,2,0,0,0,0|0,0,0]=2 3366 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] 8b746a7e0397883e275139e4cff0ae72 [0,2,0,0,0,0|1,0,0]=3 3367 B13R1.385 CCOc1ccc(c(c1)I)[N+](=O)[O-] 8c0b1739ab9a7a321b934ea0e57a1eae [0,2,0,0,0,0|1,0,0]=3 3368 B13R1.385 CCOc1ccc(c(n1)C)C(=O)O 92b7ee2822becd90a31ad2745c77976a [0,2,0,0,0,0|1,0,0]=3 3369 B13R1.385 CCOc1ccc(c(n1)Cl)C(=O)O 9826439344d7121242c34eb9209b644b [0,2,0,0,0,0|1,0,0]=3 3370 B13R1.385 CCOc1cnc(c(c1)F)C(=O)O 027ac6924f58386fe370fc4785ba35d9 [0,2,0,0,0,0|1,0,0]=3 3371 B13R1.385 CCOc1ncc(c(n1)C)C(=O)O e9fd3a62bd2be803e9e276ae5638d817 [0,2,0,0,0,0|2,0,0]=4 3372 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 53da1219707d70c756bc7e512177df54 [0,2,0,0,0,0|2,0,0]=4 3373 B13R1.385 Cc1cc(ccc1C(=O)N)NCO 65f91ffcf57e1574f9db5b418526a914 [0,2,0,0,0,0|2,0,0]=4 3374 B13R1.385 Cc1cc(ccc1C(=O)N)OCF 9c67f3c92cb5fe7da1f88839950cdae2 [0,2,0,0,0,0|1,0,0]=3 3375 B13R1.385 Cc1cc(ccc1C(=O)O)NCF 41db4fe9a5a92737d488f32c7cb558ac [0,2,0,0,0,0|2,0,0]=4 3376 B13R1.385 Cc1cc(ccc1C(=O)O)NCO c8246581ce1520b4acd9eceb58c84381 [0,2,0,0,0,0|2,0,0]=4 3377 B13R1.385 Cc1cc(ccc1C(=O)O)OCF 89841c87229033a1aa645090295ea9ec [0,2,0,0,0,0|1,0,0]=3 3378 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF b03b0165e96189c60c2f69657458391b [0,2,0,0,0,0|2,0,0]=4 3379 B13R1.385 Cc1cc(ncc1C(=O)O)OCF 37671a9b49e9338475fbf7ea74f55912 [0,2,0,0,0,0|2,0,0]=4 3380 B13R1.385 Cc1nc(ccc1C(=O)O)OCF 32c91fc91a4cd84b7341eefe8e24b261 [0,2,0,0,0,0|2,0,0]=4 3381 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF e960691bf0d11f812e13563ef3af63d3 [0,2,0,0,0,0|2,0,0]=4 3382 B13R1.385 NC(=O)c1ccc(cc1Cl)NCO 0f5c21c14efa7556f0568db75a98ee0c [0,2,0,0,0,0|2,0,0]=4 3383 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7bdbd2f888b99154c191fc15db825f01 [0,2,0,0,0,0|1,0,0]=3 3384 B13R1.385 NC(=O)c1ccc(cc1F)NCF f1178e57d0a45fbef1d6e3ffcc0a2f4d [0,2,0,0,0,0|2,0,0]=4 3385 B13R1.385 NC(=O)c1ccc(cc1F)NCO 9461a02cd39f9771f42cd1140cd942bc [0,2,0,0,0,0|2,0,0]=4 3386 B13R1.385 NC(=O)c1ccc(cc1F)OCF 5fbded5cf0523cb234a3465d92f61da3 [0,2,0,0,0,0|1,0,0]=3 3387 B13R1.385 O=C(O)c1ccc(cc1Br)NCF 3dc308f009e8eff15844fac3306e8d8e [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.385 O=C(O)c1ccc(cc1Br)NCO 9f6d474f0038232f8402e2b5b2257071 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.385 O=C(O)c1ccc(cc1Br)OCF 9905c2182583002677d0b3f51f2f8704 [0,2,0,0,0,0|1,0,0]=3 3390 B13R1.385 O=C(O)c1ccc(cc1Cl)NCF c1892eb9930db7398e9bcbae0fd8e566 [0,2,0,0,0,0|2,0,0]=4 3391 B13R1.385 O=C(O)c1ccc(cc1Cl)NCO 0ae443d71c19a2c6d5b00e7934350288 [0,2,0,0,0,0|2,0,0]=4 3392 B13R1.385 O=C(O)c1ccc(cc1Cl)OCF e83c05b248a74014304cb36b815c1373 [0,2,0,0,0,0|1,0,0]=3 3393 B13R1.385 O=C(O)c1ccc(cc1F)NCF a14ca8dd74a24321544879f9eb8244ff [0,2,0,0,0,0|2,0,0]=4 3394 B13R1.385 O=C(O)c1ccc(cc1F)NCO 08f9c84cb7f1f82d1612f144f4039b1e [0,2,0,0,0,0|2,0,0]=4 3395 B13R1.385 O=C(O)c1ccc(cc1F)OCF d327aaf236eb4e2e791f63c33ec7ec6e [0,2,0,0,0,0|1,0,0]=3 3396 B13R1.385 O=C(O)c1ccc(cc1I)NCF 269d659c67e1f7924c8805b90facde70 [0,2,0,0,0,0|2,0,0]=4 3397 B13R1.385 O=C(O)c1ccc(cc1I)NCO 005c9a76951465662c711d3a14f233ec [0,2,0,0,0,0|2,0,0]=4 3398 B13R1.385 O=C(O)c1ccc(nc1Cl)OCF 24972157cfd568b1f2fbd4ad114e8e6e [0,2,0,0,0,0|2,0,0]=4 3399 B13R1.385 O=C(O)c1cnc(cc1Br)OCF ded94eec41856057538e3d46ba790c16 [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.385 O=C(O)c1cnc(cc1Cl)OCF beca938e5ecf7f6dacd13a9cb9cd9411 [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.385 O=C(O)c1ncc(cc1F)OCF 342ac3d2319cc90a686b5426accba701 [0,2,0,0,0,0|2,0,0]=4 3402 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF b567d7cd7b6096e6d94427f603db8970 [0,2,0,0,0,0|2,0,0]=4 3403 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 7c84e5b259bea8ec3b6b85733f6de569 [0,2,0,0,0,0|2,0,0]=4 3404 B13R1.385 O=[N+]([O-])c1ccc(cc1F)OCF 711056390d919421b019da5265b61e72 [0,2,0,0,0,0|2,0,0]=4 3405 B13R1.385 O=[N+]([O-])c1ccc(cc1I)OCF ebe330e22bf9b0314e42f4e4986c7b9e [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.388 CCCc1ccc(c(c1)Br)OCC 628c43ae6d56a6697b1b6d0446037ba9 [0,2,0,0,0,0|1,0,1]=4 3407 B13R1.388 CCCc1ccc(c(c1)Cl)OCC 8666aa8f503b41ad5a8f60b63bbcecde [0,2,0,0,0,0|1,0,1]=4 3408 B13R1.388 CCNc1ccc(c(c1)Br)OCC 5511331d08a59dcaf391a144c5ab9b98 [0,2,0,0,0,0|1,0,1]=4 3409 B13R1.388 CCNc1ccc(c(c1)C)OCC bdb946685d21a68991a0a757e99ee5ea [0,2,0,0,0,0|1,0,1]=4 3410 B13R1.388 CCNc1ccc(c(c1)Cl)OCC c5ae0fbf3421b18214f74c47ad342eac [0,2,0,0,0,0|1,0,1]=4 3411 B13R1.388 CCNc1ccc(c(c1)F)OCC 339ce857833518c0a4f5e9aeaed659cd [0,2,0,0,0,0|1,0,1]=4 3412 B13R1.388 CCNc1ccc(cc1Br)OCC 1c97fa73b96d1b8b35c51c514f47eb2d [0,2,0,0,0,0|1,0,1]=4 3413 B13R1.388 CCNc1ccc(cc1C)OCC 14ceee83055d15149fb55871769f211b [0,2,0,0,0,0|1,0,1]=4 3414 B13R1.388 CCNc1ccc(cc1Cl)OCC 07f2d63a723a68f4c8c69371f4941e28 [0,2,0,0,0,0|1,0,1]=4 3415 B13R1.388 CCNc1ccc(cc1F)OCC 85b495d50d20e0b7ba0a98d60953f82a [0,2,0,0,0,0|1,0,1]=4 3416 B13R1.388 CCOc1cc(c(cn1)NC=O)C 631facb346fbc05a9d573b22c3b7c880 [0,2,0,0,0,0|1,0,0]=3 3417 B13R1.388 CCOc1ccc(c(c1)Br)NC=O d49a12da71dfad897f9c7aef5d6fd734 [0,2,0,0,0,0|0,0,0]=2 3418 B13R1.388 CCOc1ccc(c(c1)Br)NCF c919ed38102dbf03ed2558461e6689d5 [0,2,0,0,0,0|1,0,1]=4 3419 B13R1.388 CCOc1ccc(c(c1)Br)NCO 03267f960069710c483605d040e13031 [0,2,0,0,0,0|0,0,2]=4 3420 B13R1.388 CCOc1ccc(c(c1)C)NC=O 6e7a53619602827ba983d896ee97159e [0,2,0,0,0,0|0,0,0]=2 3421 B13R1.388 CCOc1ccc(c(c1)C)NCF da6b4a30aa4fe59a27763c09c033dc83 [0,2,0,0,0,0|1,0,1]=4 3422 B13R1.388 CCOc1ccc(c(c1)C)NCO d5fd819935135b0ce9cc91c6a775fb4c [0,2,0,0,0,0|0,0,2]=4 3423 B13R1.388 CCOc1ccc(c(c1)Cl)NC=O a7df5038cd7f9f2a436f5b3c9cae5f6f [0,2,0,0,0,0|0,0,0]=2 3424 B13R1.388 CCOc1ccc(c(c1)Cl)NCF 1177f3512c49c6c65e472901fbb4bed3 [0,2,0,0,0,0|1,0,1]=4 3425 B13R1.388 CCOc1ccc(c(c1)Cl)NCO 39d4d31016f224407d2a56e3cfc904db [0,2,0,0,0,0|0,0,2]=4 3426 B13R1.388 CCOc1ccc(c(c1)Cl)OCC d84187d3eae27bb21223ff6c7c0e3bd2 [0,2,0,0,0,0|1,0,1]=4 3427 B13R1.388 CCOc1ccc(c(c1)F)NC=O 5d31c847e17c1a8d7efe5850f3d99906 [0,2,0,0,0,0|0,0,0]=2 3428 B13R1.388 CCOc1ccc(c(c1)F)NCF da474c76401dfb57e80073c8566cbf74 [0,2,0,0,0,0|1,0,1]=4 3429 B13R1.388 CCOc1ccc(c(c1)F)NCO afbb5692d1f08762dfcda993f909ead9 [0,2,0,0,0,0|0,0,2]=4 3430 B13R1.388 CCOc1ccc(c(c1)F)OCC aed48f43b3896700b41fd91a390a402d [0,2,0,0,0,0|1,0,1]=4 3431 B13R1.388 CCOc1ccc(c(c1)O)NC=O e84cfcd2970760b00c30fa973edb8fd5 [0,2,0,0,0,0|0,0,0]=2 3432 B13R1.388 CCOc1ccc(c(n1)C)NC=O 511e618da18e7229f92aa671d16e135a [0,2,0,0,0,0|1,0,0]=3 3433 B13R1.388 CCOc1ccc(cc1Br)NCF 546dbf69c82893398acb37ef9b4421f7 [0,2,0,0,0,0|1,0,1]=4 3434 B13R1.388 CCOc1ccc(cc1Br)NCO db98b4268908ea49ded1d2dc44fb0908 [0,2,0,0,0,0|0,0,2]=4 3435 B13R1.388 CCOc1ccc(cc1C)COC 2c436b6b89a233720bcc47c31933dd67 [0,2,0,0,0,0|0,0,2]=4 3436 B13R1.388 CCOc1ccc(cc1C)NC=O 28bf2984832da0640e1dae616231e595 [0,2,0,0,0,0|0,0,0]=2 3437 B13R1.388 CCOc1ccc(cc1C)NCF b526286a59d879573f7434749336d733 [0,2,0,0,0,0|1,0,1]=4 3438 B13R1.388 CCOc1ccc(cc1C)NCO d981d5fe7c10f93b8729fa11649c09f0 [0,2,0,0,0,0|0,0,2]=4 3439 B13R1.388 CCOc1ccc(cc1C)SC#N 3393b1cd8e4d333a84502867ed1db487 [0,2,0,0,0,0|1,0,1]=4 3440 B13R1.388 CCOc1ccc(cc1Cl)NC=O 968a21393b0a14000195568c1b3a2057 [0,2,0,0,0,0|0,0,0]=2 3441 B13R1.388 CCOc1ccc(cc1Cl)NCF e33ba81f2c01e24c2f9d60c3b2f2f38f [0,2,0,0,0,0|1,0,1]=4 3442 B13R1.388 CCOc1ccc(cc1Cl)NCO 9f4f53ea446924c57ab19ada3e78e75c [0,2,0,0,0,0|0,0,2]=4 3443 B13R1.388 CCOc1ccc(cc1Cl)OCF 865dfec58653e2992498080a6ae2f935 [0,2,0,0,0,0|1,0,1]=4 3444 B13R1.388 CCOc1ccc(cc1Cl)SC#N c34910b15ee361638be5322c84a389ed [0,2,0,0,0,0|1,0,1]=4 3445 B13R1.388 CCOc1ccc(cc1F)NC=O f0ec772aa5b4de149925856faddaeb28 [0,2,0,0,0,0|0,0,0]=2 3446 B13R1.388 CCOc1ccc(cc1F)NCF 2a41e4266383c51f9145d6174072c73e [0,2,0,0,0,0|1,0,1]=4 3447 B13R1.388 CCOc1ccc(cc1F)NCO 1fd2d6d277d07942eb82761c8063305a [0,2,0,0,0,0|0,0,2]=4 3448 B13R1.388 CCOc1ccc(cc1F)OCF b95f6fca2a16ebd41fb535adbc0ad156 [0,2,0,0,0,0|1,0,1]=4 3449 B13R1.388 CCOc1ccc(nc1C)NC=O 3eec0989895b6f31e7cbacbd9eeea90e [0,2,0,0,0,0|1,0,0]=3 3450 B13R1.388 CCOc1ncc(cc1F)NC=O 245b85f8e3828e167624c6cdf6840cbf [0,2,0,0,0,0|1,0,0]=3 3451 B13R1.388 CCSc1ccc(cc1Br)NC=O 0ccc7e07f81e4fae5f9ec36fbe532d8d [0,2,0,0,0,0|0,1,0]=3 3452 B13R1.388 COCc1ccc(cc1F)NC=O 4092c53683192d7ca597d2e6dceb7f40 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.388 O=CNc1ccc(cc1Br)CCO d030cc08040b062a0321c73171163888 [0,2,0,0,0,0|2,0,0]=4 3454 B13R1.1249 C#Cc1ccc(c(c1)C=O)OCC 341d7df5097701bb671dfad58efc4e8c [0,2,0,0,0,0|1,0,1]=4 3455 B13R1.1249 C#Cc1ccc(c(c1)OC)OCC 4e598dddea88476229a259b33215675d [0,2,0,0,0,0|1,0,1]=4 3456 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 7fbd55a1111db9b864e17ef5d9412083 [0,2,0,0,0,0|1,0,0]=3 3457 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF e134737eeadd44c9f0812c3685dbfa18 [0,2,0,0,0,0|2,0,0]=4 3458 B13R1.1249 CCNc1ccc(cc1C#N)C=O 15dd83530ce4a863debcce973c742eba [0,2,0,0,0,0|1,0,0]=3 3459 B13R1.1249 CCNc1ccc(cc1OC)C=O 2d26180998f673c76bf89e0ea539d7d2 [0,2,0,0,0,0|1,0,0]=3 3460 B13R1.1249 CCNc1ncc(cc1C#N)C=O 712a139ad5af33c5e0837ed3ce26ed9c [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.1249 CCOc1ccc(cc1C#N)C#N 024dd869d4c67df71503cc367226ebf6 [0,2,0,0,0,0|1,0,1]=4 3462 B13R1.1249 CCOc1ccc(cc1C#N)C=O 9cf3bd7fc84d346936c9d89bd99d27fa [0,2,0,0,0,0|0,0,0]=2 3463 B13R1.1249 CCOc1ccc(cc1C#N)OC 6b7789acee50b673017cd09d5d49d919 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.1249 CCOc1ccc(cc1C=O)C#N bdd3e3ab51bced7babdace0cd09b60eb [0,2,0,0,0,0|1,0,1]=4 3465 B13R1.1249 CCOc1ccc(cc1C=O)C=O 2dcb54d0c741a95ed6ae1d5f127ba220 [0,2,0,0,0,0|0,0,0]=2 3466 B13R1.1249 CCOc1ccc(cc1C=O)CC 4731fa4f572ecb004214d6f2c9ee48f2 [0,2,0,0,0,0|1,0,1]=4 3467 B13R1.1249 CCOc1ccc(cc1C=O)OC 1084ffe64af06d955095eb9977fd349b [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.1249 CCOc1ccc(cc1C=O)SC e5879eec0e0c6599f68785c4c751e543 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.1249 CCOc1ccc(cc1CC)C=O 5e62dad116ac6a883f1b49a2d68230af [0,2,0,0,0,0|0,0,0]=2 3470 B13R1.1249 CCOc1ccc(cc1OC)C#N 3fe0efdecfd749674800985f28c4e753 [0,2,0,0,0,0|1,0,1]=4 3471 B13R1.1249 CCOc1ccc(cc1OC)C=O eaad92c24f8ac2f058398bb5ad492ad0 [0,2,0,0,0,0|0,0,0]=2 3472 B13R1.1249 CCOc1ccc(cc1OC)CC 02213ead23101d37eb6b9422743bf17f [0,2,0,0,0,0|1,0,1]=4 3473 B13R1.1249 CCOc1ccc(cc1OC)OC b35a9fe74ae0c00519195c1ff739e09d [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.1249 CCOc1ccc(cc1SC)OC 3795be9d34061e274180ceb3fe466c9b [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.1249 CCc1cc(ccc1OCF)C=O da35f698fe370452a9882a844683d9c7 [0,2,0,0,0,0|1,0,0]=3 3476 B13R1.1249 COc1cc(ccc1NCF)C=O fe6928d7291616d36badba2b0fa94811 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.1249 COc1cc(ccc1NCO)C=O 76f0e0f5e9a20ad33bbd22e501eb1c2e [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.1249 COc1cc(ccc1OCF)C=O b830429e746f328366f9a8809f9cbe57 [0,2,0,0,0,0|1,0,0]=3 3479 B13R1.1249 N#Cc1cc(ccc1NCF)C=O be50d911c7f1676e763ca3bea0353711 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.1249 N#Cc1cc(ccc1NCO)C=O deb6bbcb835aa62e0ffb465a1ee14f18 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.1249 N#Cc1cc(ccc1OCF)C=O 10a7c8a00e3ca4fb9fc73447453a4281 [0,2,0,0,0,0|1,0,0]=3 3482 B13R1.1249 O=Cc1ccc(c(c1)C=O)OCF 7555cd043116161d0f2220fbbf334983 [0,2,0,0,0,0|1,0,0]=3 3483 B13R1.1254 CCNc1ccc(c(c1F)Cl)C=O 8525874f672e4b50119b5e4e011a9805 [0,2,0,0,0,0|1,0,0]=3 3484 B13R1.1254 CCOc1ccc(c(c1Br)F)OC 4e3fef12f5a6595596ed47dc32d4c122 [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.1254 CCOc1ccc(c(c1C)C)C#N 696ab7753db26f85223596762445c533 [0,2,0,0,0,0|1,0,1]=4 3486 B13R1.1254 CCOc1ccc(c(c1C)C)C=O 0a5633fcf3be8e6188e475a338e7c85b [0,2,0,0,0,0|0,0,0]=2 3487 B13R1.1254 CCOc1ccc(c(c1C)C)OC 15e46bfe4f956f83e48cef345ea62da5 [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.1254 CCOc1ccc(c(c1C)C)SC bb224d03183fdec45f31e40647a45a8f [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.1254 CCOc1ccc(c(c1C)Cl)C=O b4b19e80df2ed0de5e1bafe280f4879d [0,2,0,0,0,0|0,0,0]=2 3490 B13R1.1254 CCOc1ccc(c(c1C)F)C=O 71aef72f47e02c639a03c9d7c7702c64 [0,2,0,0,0,0|0,0,0]=2 3491 B13R1.1254 CCOc1ccc(c(c1C)F)OC 12616a34b68be6060c7415078161fc90 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.1254 CCOc1ccc(c(c1Cl)Cl)C=O 43fce3b4b59253ddab131d1965da89a8 [0,2,0,0,0,0|0,0,0]=2 3493 B13R1.1254 CCOc1ccc(c(c1Cl)Cl)OC c0182c146d9916ead543c80f5b6421ee [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.1254 CCOc1ccc(c(c1Cl)F)C=O f0fe2beb6a3b25d0c4b9da8a09af4a35 [0,2,0,0,0,0|0,0,0]=2 3495 B13R1.1254 CCOc1ccc(c(c1Cl)F)OC 6ecd3bf7e61d4a6908732c79b4c589ea [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.1254 CCOc1ccc(c(c1F)Br)C#N f85ca94399cf4f2eab879522f87811b1 [0,2,0,0,0,0|1,0,1]=4 3497 B13R1.1254 CCOc1ccc(c(c1F)Br)OC 0a9149d12793406207563944f0e4241c [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.1254 CCOc1ccc(c(c1F)C)C=O 999e85f605d5282e28b3fc2f20957dbb [0,2,0,0,0,0|0,0,0]=2 3499 B13R1.1254 CCOc1ccc(c(c1F)Cl)OC 89ec3a9328e09e53e488a0028efd5103 [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.1254 CCOc1ccc(c(c1F)F)C#N 657c80e0a8d14d721aa32d6934704170 [0,2,0,0,0,0|1,0,1]=4 3501 B13R1.1254 CCOc1ccc(c(c1F)F)C=O a272140f23a2b44fab96c6bfcb734552 [0,2,0,0,0,0|0,0,0]=2 3502 B13R1.1254 CCOc1ccc(c(c1F)F)OC eedc4ec189916962b5108783964397b6 [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.1254 CCOc1ccc(c(c1I)F)OC 3a3c42c04d40ac286116b8c5858ba4c8 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.1254 Cc1c(ccc(c1C)OCF)C=O 2d55cd87479d607b00d3dd4864fd3056 [0,2,0,0,0,0|1,0,0]=3 3505 B13R1.1254 Cc1c(ccc(c1Cl)C=O)OCF ebfaa91e730e1c0bb467e7eeb5a77e44 [0,2,0,0,0,0|1,0,0]=3 3506 B13R1.1254 Cc1c(ccc(c1F)C=O)OCF 33532fcdbd6c41a531c743440ee8d279 [0,2,0,0,0,0|1,0,0]=3 3507 B13R1.1254 Cc1c(ccc(c1F)OCF)C=O 59f591df2381f75e0dd1e38e602002db [0,2,0,0,0,0|1,0,0]=3 3508 B13R1.1254 O=Cc1ccc(c(c1Cl)Cl)OCF 82d9d1bbd63ca1e9c1af0b23aee9fcda [0,2,0,0,0,0|1,0,0]=3 3509 B13R1.1254 O=Cc1ccc(c(c1Cl)F)NCF ac992c61a9b2841afe38a9f6abfe1ecb [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.1254 O=Cc1ccc(c(c1Cl)F)NCO 59ed4221386035cea638a376a070e9ca [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.1254 O=Cc1ccc(c(c1F)Cl)OCF 210332a92a2e0d3ae3207fa182630399 [0,2,0,0,0,0|1,0,0]=3 3512 B13R1.1254 O=Cc1ccc(c(c1F)F)OCF 8469026eda25f03b92b3a8f43662c59f [0,2,0,0,0,0|1,0,0]=3 3513 B13R1.2901 CCNc1cc(c(cc1Br)C=O)Cl dcc26ce3038e7c60936f148ab04186b2 [0,2,0,0,0,0|1,0,0]=3 3514 B13R1.2901 CCOc1cc(c(cc1Br)C#N)Br ca06857100feccaccd11c996b1b81f3e [0,2,0,0,0,0|1,0,1]=4 3515 B13R1.2901 CCOc1cc(c(cc1Br)C#N)Cl 6699bc88c036f41d84fb49f3517b764c [0,2,0,0,0,0|1,0,1]=4 3516 B13R1.2901 CCOc1cc(c(cc1Br)C#N)F 962be1c096fcc8d07f75b36c3272a6a4 [0,2,0,0,0,0|1,0,1]=4 3517 B13R1.2901 CCOc1cc(c(cc1Br)C=O)Cl edabd614dbafbd97993365af311e6053 [0,2,0,0,0,0|0,0,0]=2 3518 B13R1.2901 CCOc1cc(c(cc1Br)C=O)F e747bc2fc4e77a15979992a8152ee247 [0,2,0,0,0,0|0,0,0]=2 3519 B13R1.2901 CCOc1cc(c(cc1Br)OC)F 4533b209c42e3a29a07b91b0fdc49786 [0,2,0,0,0,0|2,0,0]=4 3520 B13R1.2901 CCOc1cc(c(cc1C)C#N)C af0de8640c69c8807a425a77d20f4485 [0,2,0,0,0,0|1,0,1]=4 3521 B13R1.2901 CCOc1cc(c(cc1C)C=O)C df6a0af3cbbba6fc92a7d11b2635e7e1 [0,2,0,0,0,0|0,0,0]=2 3522 B13R1.2901 CCOc1cc(c(cc1C)C=O)F f7e6e5fbcfea9af5295b43ab2f68692f [0,2,0,0,0,0|0,0,0]=2 3523 B13R1.2901 CCOc1cc(c(cc1C)OC)Br 40f17f5a93a2f3476a8edb04b0384335 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.2901 CCOc1cc(c(cc1C)OC)C b5e77816882e583db43eedcebc0b11d5 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.2901 CCOc1cc(c(cc1C)OC)Cl 52cf96f901e55b9a4fe93d9e8e64df3e [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.2901 CCOc1cc(c(cc1C)OC)F dc59633ba86c3cb41b2766838a1e65b9 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.2901 CCOc1cc(c(cc1Cl)C#N)Cl fa2407ae4d11ec3a49dfd5898aabd51c [0,2,0,0,0,0|1,0,1]=4 3528 B13R1.2901 CCOc1cc(c(cc1Cl)C#N)F 4764d1dae6330c64837265277135c755 [0,2,0,0,0,0|1,0,1]=4 3529 B13R1.2901 CCOc1cc(c(cc1Cl)C=O)C 76bad3b32fa053cf153128f591e74127 [0,2,0,0,0,0|0,0,0]=2 3530 B13R1.2901 CCOc1cc(c(cc1Cl)C=O)Cl 84b6afc7148350541ea61a31234a376a [0,2,0,0,0,0|0,0,0]=2 3531 B13R1.2901 CCOc1cc(c(cc1Cl)C=O)F ef80a02bf9fae46b5475f636785dd72c [0,2,0,0,0,0|0,0,0]=2 3532 B13R1.2901 CCOc1cc(c(cc1Cl)OC)C 8aa3374b5ada9634041bbc96db824a93 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.2901 CCOc1cc(c(cc1Cl)SC)Cl 5f54704c9a0d0b71222568e1429a701f [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.2901 CCOc1cc(c(cc1F)C#N)Br 4112adf6427a384042f76637971154d1 [0,2,0,0,0,0|1,0,1]=4 3535 B13R1.2901 CCOc1cc(c(cc1F)C#N)C 17782770f697a6a57a96ab7d366340fa [0,2,0,0,0,0|1,0,1]=4 3536 B13R1.2901 CCOc1cc(c(cc1F)C#N)F eb140f2d8be62c5f939a9c1776980f74 [0,2,0,0,0,0|1,0,1]=4 3537 B13R1.2901 CCOc1cc(c(cc1F)C=O)Br 7798077db56d9853aaf4dcb3a1e4b7e3 [0,2,0,0,0,0|0,0,0]=2 3538 B13R1.2901 CCOc1cc(c(cc1F)C=O)C 807c03a2b8f931b606f3e588cc763f10 [0,2,0,0,0,0|0,0,0]=2 3539 B13R1.2901 CCOc1cc(c(cc1F)C=O)F c85104087ada38969da2a42f3e57cc67 [0,2,0,0,0,0|0,0,0]=2 3540 B13R1.2901 CCOc1cc(c(cc1F)OC)Br ec6ecf33cac9af143668265934b89744 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.2901 CCOc1cc(c(cc1F)OC)C 1cdcdac755fc5645b361dcd9b9206db7 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.2901 CCOc1cc(c(cc1F)OC)Cl 3082728c6d3ad2eed4e78148bf999348 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.2901 CCOc1cc(c(cc1F)OC)F 5a55303aa4127bc04eef9f2f94aa9965 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.2901 CCOc1cc(c(cc1F)OC)I 76b5a1f937a6347183a1af8e007f4995 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.2901 CCOc1cc(c(cc1F)SC)F d186f9eb9d1be0cd172f3423dd8ccfb2 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.2901 CCOc1cc(c(cc1I)C#N)Cl 7a7906936f7afd48e307f073f091271e [0,2,0,0,0,0|1,0,1]=4 3547 B13R1.2901 CCOc1cc(c(cc1I)C#N)F de979dcc40318bea336f136d5351fb21 [0,2,0,0,0,0|1,0,1]=4 3548 B13R1.2901 CCOc1cc(c(cc1I)C=O)F 84e952926623541312adb6237a9f8a50 [0,2,0,0,0,0|0,0,0]=2 3549 B13R1.2901 Cc1cc(c(cc1C=O)C)OCF f224a2e5be017856558b299b4db16a7b [0,2,0,0,0,0|1,0,0]=3 3550 B13R1.2901 Cc1cc(c(cc1C=O)Cl)OCF d4fe2027da7dcd2637f0242a20894ea7 [0,2,0,0,0,0|1,0,0]=3 3551 B13R1.2901 Cc1cc(c(cc1C=O)F)OCF aa79ebcd35614c52cc923147c971a528 [0,2,0,0,0,0|1,0,0]=3 3552 B13R1.2901 Cc1cc(c(cc1OCF)F)C=O bd08bf1108d268546ff6bc85ffcdde09 [0,2,0,0,0,0|1,0,0]=3 3553 B13R1.2901 O=Cc1cc(c(cc1Br)OCF)F 880534eba0636f6c31aee9c9733fb987 [0,2,0,0,0,0|1,0,0]=3 3554 B13R1.2901 O=Cc1cc(c(cc1Cl)NCF)Br df0be86e56134b0fc88aa0fa2a1171e7 [0,2,0,0,0,0|2,0,0]=4 3555 B13R1.2901 O=Cc1cc(c(cc1Cl)NCO)Br 26cae93bb5629859c9ed72368b826c46 [0,2,0,0,0,0|2,0,0]=4 3556 B13R1.2901 O=Cc1cc(c(cc1Cl)OCF)Br ae991c16b8594c84a819dbd9e3b98aff [0,2,0,0,0,0|1,0,0]=3 3557 B13R1.2901 O=Cc1cc(c(cc1Cl)OCF)Cl 1bd7f700139ca47f809ed9cb3d1e72cf [0,2,0,0,0,0|1,0,0]=3 3558 B13R1.2901 O=Cc1cc(c(cc1F)OCF)Br b0bae64d70ef1ec537aadc3589cb6a7b [0,2,0,0,0,0|1,0,0]=3 3559 B13R1.2901 O=Cc1cc(c(cc1F)OCF)Cl ffb0e4d04ff3f1ef457d0fb75e6749a7 [0,2,0,0,0,0|1,0,0]=3 3560 B13R1.2901 O=Cc1cc(c(cc1F)OCF)F 3fc57b795c7ebed848fbddea0b0a3db2 [0,2,0,0,0,0|1,0,0]=3 3561 B13R1.2901 O=Cc1cc(c(cc1F)OCF)I 97c708e73ae1dd02578c274f8a18fb00 [0,2,0,0,0,0|1,0,0]=3 3562 B13R1.3945 C=Cc1cc(c(c(c1)I)OCC)I 6a02af8dc6142a2949b56999a8569152 [0,2,0,0,0,0|1,0,0]=3 3563 B13R1.3945 C=Cc1cc(c(c(c1)I)OCF)I e61e852ca38764647112cb4a2319db3c [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.3945 CCNc1c(cc(cc1C)C=O)C d18a893be438a2303b8ab28aab1ad348 [0,2,0,0,0,0|1,0,0]=3 3565 B13R1.3945 CCNc1c(cc(cc1Cl)C=O)Cl e6424ec9d7c5a143e3f05fa1a75f62da [0,2,0,0,0,0|1,0,0]=3 3566 B13R1.3945 CCOc1c(cc(cc1Br)C#N)Br f4e65575d79eb3d1a5739bfeac87fcfc [0,2,0,0,0,0|1,0,1]=4 3567 B13R1.3945 CCOc1c(cc(cc1Br)C#N)Cl 2665f8e8bc3227a0e94e14a9c356d994 [0,2,0,0,0,0|1,0,1]=4 3568 B13R1.3945 CCOc1c(cc(cc1Br)C#N)F c211067fa67eca1d5f7f4247ba43c05a [0,2,0,0,0,0|1,0,1]=4 3569 B13R1.3945 CCOc1c(cc(cc1Br)C=O)Br 63f477c682d73b82b629685477015e4c [0,2,0,0,0,0|0,0,0]=2 3570 B13R1.3945 CCOc1c(cc(cc1Br)C=O)C 93b3df9238a5474a0287a9506aa4913d [0,2,0,0,0,0|0,0,0]=2 3571 B13R1.3945 CCOc1c(cc(cc1Br)C=O)Cl 1ce23389e869f49e8396a9d6f9419969 [0,2,0,0,0,0|0,0,0]=2 3572 B13R1.3945 CCOc1c(cc(cc1Br)C=O)F bd4f00b4165ee0f598a4f4199f5a4da7 [0,2,0,0,0,0|0,0,0]=2 3573 B13R1.3945 CCOc1c(cc(cc1Br)CC)Br 0fcd8a8ae9b8f4860c4df919a5b8ce73 [0,2,0,0,0,0|1,0,1]=4 3574 B13R1.3945 CCOc1c(cc(cc1Br)CC)Cl 57d1dacb28d5b50ee1868f60c6eeedff [0,2,0,0,0,0|1,0,1]=4 3575 B13R1.3945 CCOc1c(cc(cc1Br)OC)Br 2d9db37d4086d6ff58d496f1553c7ded [0,2,0,0,0,0|2,0,0]=4 3576 B13R1.3945 CCOc1c(cc(cc1Br)OC)Cl 2c2e3981b21cc41bc963cf3bea8bec60 [0,2,0,0,0,0|2,0,0]=4 3577 B13R1.3945 CCOc1c(cc(cc1Br)OC)F 3a959661da1c812dbdd0f6d084916a9b [0,2,0,0,0,0|2,0,0]=4 3578 B13R1.3945 CCOc1c(cc(cc1C)C#N)C fc80c521661409f16d17576473b3db58 [0,2,0,0,0,0|1,0,1]=4 3579 B13R1.3945 CCOc1c(cc(cc1C)C=O)C 66a8bd992eab94ba75e0ff6117693b44 [0,2,0,0,0,0|0,0,0]=2 3580 B13R1.3945 CCOc1c(cc(cc1C)CC)C a20a3c333a59a29331a807d852e2ace9 [0,2,0,0,0,0|1,0,1]=4 3581 B13R1.3945 CCOc1c(cc(cc1C)N=O)C 2d3f2a9fbde7b2fdb0bbad94d9ce6f09 [0,2,0,0,0,0|1,0,0]=3 3582 B13R1.3945 CCOc1c(cc(cc1C)OC)C 94411157dbda93f367c415c3382edb35 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.3945 CCOc1c(cc(cc1C)SC)C 86cdc5ed2da60d01159355e98c226391 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.3945 CCOc1c(cc(cc1Cl)C#N)C cbef9f8a1c91bc3fb474517e00616a32 [0,2,0,0,0,0|1,0,1]=4 3585 B13R1.3945 CCOc1c(cc(cc1Cl)C#N)Cl 90444eb36ef2e111d23fd47684021e5b [0,2,0,0,0,0|1,0,1]=4 3586 B13R1.3945 CCOc1c(cc(cc1Cl)C#N)F 8152976fe8ff9d4fcd76035d0f7a73f3 [0,2,0,0,0,0|1,0,1]=4 3587 B13R1.3945 CCOc1c(cc(cc1Cl)C=O)C f38f13a276aaf065575c2628ba876b97 [0,2,0,0,0,0|0,0,0]=2 3588 B13R1.3945 CCOc1c(cc(cc1Cl)C=O)Cl 368b43b17f7b2aa84755c448dab56dc2 [0,2,0,0,0,0|0,0,0]=2 3589 B13R1.3945 CCOc1c(cc(cc1Cl)C=O)F 98d1ddb005fc7af4ea6dcb952654cd52 [0,2,0,0,0,0|0,0,0]=2 3590 B13R1.3945 CCOc1c(cc(cc1Cl)OC)C 636d1c03e290fee13fdce554028ecf09 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.3945 CCOc1c(cc(cc1Cl)OC)Cl c0cea22c3fb1e2c3e8d5fca871c46b02 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.3945 CCOc1c(cc(cc1Cl)OC)F b049f4d83d7c05ec17cec55e38ccb650 [0,2,0,0,0,0|2,0,0]=4 3593 B13R1.3945 CCOc1c(cc(cc1F)C#N)F 2796c53eaa10617863229bc0c84834a9 [0,2,0,0,0,0|1,0,1]=4 3594 B13R1.3945 CCOc1c(cc(cc1F)C=O)F f09b0aa7699b6e10cd2aedb6e4f87293 [0,2,0,0,0,0|0,0,0]=2 3595 B13R1.3945 CCOc1c(cc(cc1F)OC)F da4c485eb4efaef750ec20d544419af8 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.3945 CCOc1c(cc(cc1I)C#N)Cl e19cfa67128014559511b2787c529557 [0,2,0,0,0,0|1,0,1]=4 3597 B13R1.3945 CCOc1c(cc(cc1I)C#N)I 7d790c33388747fb8007a7f3d1198ee6 [0,2,0,0,0,0|1,0,1]=4 3598 B13R1.3945 CCOc1c(cc(cc1I)C=O)F 1fe395d0d69485947f1cae42305f52bd [0,2,0,0,0,0|0,0,0]=2 3599 B13R1.3945 CCOc1c(cc(cc1I)C=O)I e54a8dc2deb4c1ecac88321204d1e411 [0,2,0,0,0,0|0,0,0]=2 3600 B13R1.3945 Cc1cc(cc(c1NCF)C)C=O e32bfbcb068c8528c26a9c331a1fc77c [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.3945 Cc1cc(cc(c1NCO)C)C=O 71f8d23660dd16b757518ca5712e751a [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.3945 Cc1cc(cc(c1OCF)Br)C=O 04daed2cd23916fb5f93aa055eda6b2a [0,2,0,0,0,0|1,0,0]=3 3603 B13R1.3945 Cc1cc(cc(c1OCF)C)C=O f9b0b53150153bf62e1a22b57580263a [0,2,0,0,0,0|1,0,0]=3 3604 B13R1.3945 Cc1cc(cc(c1OCF)C)N=O c0753a6044194202a955dc9107d09d16 [0,2,0,0,0,0|2,0,0]=4 3605 B13R1.3945 Cc1cc(cc(c1OCF)Cl)C=O 064584f2acd0a02706a6c6254eca56f0 [0,2,0,0,0,0|1,0,0]=3 3606 B13R1.3945 O=Cc1cc(c(c(c1)Br)OCF)Br a697d329b490d0d288eb9e0f42967064 [0,2,0,0,0,0|1,0,0]=3 3607 B13R1.3945 O=Cc1cc(c(c(c1)Br)OCF)Cl b64a9f346d69bc5cffea9eaeeb2ea68f [0,2,0,0,0,0|1,0,0]=3 3608 B13R1.3945 O=Cc1cc(c(c(c1)Br)OCF)F 044facb822b453480cbc7a9f34e1ff1a [0,2,0,0,0,0|1,0,0]=3 3609 B13R1.3945 O=Cc1cc(c(c(c1)Cl)NCF)Cl 40ca375be1c0ef68c483b5ba9d62df6b [0,2,0,0,0,0|2,0,0]=4 3610 B13R1.3945 O=Cc1cc(c(c(c1)Cl)NCO)Cl bac8cf39c688625004e2c8dc0751dd6c [0,2,0,0,0,0|2,0,0]=4 3611 B13R1.3945 O=Cc1cc(c(c(c1)Cl)OCF)Cl 95ad61eea1f6b4715a2373a39bcb0a4b [0,2,0,0,0,0|1,0,0]=3 3612 B13R1.3945 O=Cc1cc(c(c(c1)Cl)OCF)F 6ca60dcb34688c837f713303ad9624b1 [0,2,0,0,0,0|1,0,0]=3 3613 B13R1.3945 O=Cc1cc(c(c(c1)F)OCF)F 0f2c765df004cb0e3c24bab65b7cf5a2 [0,2,0,0,0,0|1,0,0]=3 3614 B13R1.3945 O=Cc1cc(c(c(c1)I)OCF)F 8c2ee5c758022378ec61a825b58ab250 [0,2,0,0,0,0|1,0,0]=3 3615 B13R1.3945 O=Cc1cc(c(c(c1)I)OCF)I 86693bf7526253f006f48457bf5d57cc [0,2,0,0,0,0|1,0,0]=3 3616 B13R1.386 C#Cc1ccc(cc1OC)OCC cf56e5cc0ce6c347b3fc1a9a1ba60907 [0,2,0,0,0,0|1,0,1]=4 3617 B13R1.386 CCNc1ccc(c(c1)OC)C=O e1cdf7402b505d38161923ae590b7ff9 [0,2,0,0,0,0|1,0,0]=3 3618 B13R1.386 CCOc1ccc(c(c1)C#N)C#N 53ef244e042731829cf2dcbdfde02f82 [0,2,0,0,0,0|1,0,1]=4 3619 B13R1.386 CCOc1ccc(c(c1)C#N)OC 9d9aacd3ede5a9cdd33ab4c757184fd6 [0,2,0,0,0,0|2,0,0]=4 3620 B13R1.386 CCOc1ccc(c(c1)C=O)C=O 1b32a426b032dad2298d05da34edfe88 [0,2,0,0,0,0|0,0,0]=2 3621 B13R1.386 CCOc1ccc(c(c1)C=O)OC ea880753ff755ee49af1d2d18fcd074c [0,2,0,0,0,0|2,0,0]=4 3622 B13R1.386 CCOc1ccc(c(c1)OC)C#N 03cbf55c1e134ca7e8712d55f5621600 [0,2,0,0,0,0|1,0,1]=4 3623 B13R1.386 CCOc1ccc(c(c1)OC)C=O 22f90f5e8450e6fc1809ab5dd73eee65 [0,2,0,0,0,0|0,0,0]=2 3624 B13R1.386 CCOc1ccc(c(c1)OC)OC 6c73ed6ffafed6354ae8d7226fe80afa [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.386 COc1cc(ccc1C=O)NCF 43a3166edd19c385b1e718c4e5498273 [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.386 COc1cc(ccc1C=O)NCO b0c6ebf11a90bf40b3a7e05d90bda86b [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.386 COc1cc(ccc1C=O)OCF 4db40c5720c6876a89dab7978c04c104 [0,2,0,0,0,0|1,0,0]=3 3628 B13R1.386 O=Cc1ccc(cc1C=O)OCF 2d58ae50531ec6ae3be8de0127915b97 [0,2,0,0,0,0|1,0,0]=3 3629 B13R1.4031 CCNc1cc(c(c(c1)F)C=O)F 16a561c3e4915e3bc3db7eedba449f36 [0,2,0,0,0,0|1,0,0]=3 3630 B13R1.4031 CCOc1cc(c(c(c1)Br)C#N)Br b5cedb86d39ee6b1a6782e73b932b37d [0,2,0,0,0,0|1,0,1]=4 3631 B13R1.4031 CCOc1cc(c(c(c1)Br)C=O)C fd71dad8d5ce4f294f3330ceb639389d [0,2,0,0,0,0|0,0,0]=2 3632 B13R1.4031 CCOc1cc(c(c(c1)Br)C=O)F ef3db4ab6401c11109d6cedbc25100d6 [0,2,0,0,0,0|0,0,0]=2 3633 B13R1.4031 CCOc1cc(c(c(c1)C)C#N)C 5f0347dc033df8fc200b675a1bc53365 [0,2,0,0,0,0|1,0,1]=4 3634 B13R1.4031 CCOc1cc(c(c(c1)C)C=O)C 259c2ab77eb7693a31bd9f766d3a71b9 [0,2,0,0,0,0|0,0,0]=2 3635 B13R1.4031 CCOc1cc(c(c(c1)C)N=O)C 552c3e5363bb62d61f64c9a0669108dc [0,2,0,0,0,0|1,0,0]=3 3636 B13R1.4031 CCOc1cc(c(c(c1)C)OC)C d50db10665f0465d454dd116d05b83a0 [0,2,0,0,0,0|2,0,0]=4 3637 B13R1.4031 CCOc1cc(c(c(c1)C)SC)C 56da9b3f857b87790962032b109b3743 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.4031 CCOc1cc(c(c(c1)Cl)C=O)Cl 8cad96efd1eed4970e1c0b115d5fba3e [0,2,0,0,0,0|0,0,0]=2 3639 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)Cl a0f617f313de211034458f04ec2bbe93 [0,2,0,0,0,0|2,0,0]=4 3640 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)F 3b6b43b93ced9eaf0458514fbe3ec08e [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.4031 CCOc1cc(c(c(c1)F)C#N)F c815c99e71c62a137fb9a97a226d45bd [0,2,0,0,0,0|1,0,1]=4 3642 B13R1.4031 CCOc1cc(c(c(c1)F)C=O)F 188e110177fb5e938f0685f40356e05f [0,2,0,0,0,0|0,0,0]=2 3643 B13R1.4031 CCOc1cc(c(c(c1)F)OC)F 0209bf4a34b0d98bab43d47ba017ccbf [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.4031 CCOc1cc(c(c(c1)F)SC)F aef0ad746e26ccc0d769c88f375c88ff [0,2,0,0,0,0|2,0,0]=4 3645 B13R1.4031 Cc1cc(cc(c1C=O)Br)OCF 2a59b2f51f29c4dbfbbbd7f765c96880 [0,2,0,0,0,0|1,0,0]=3 3646 B13R1.4031 Cc1cc(cc(c1C=O)C)OCF 7ac8558634ad62736014067e76d34183 [0,2,0,0,0,0|1,0,0]=3 3647 B13R1.4031 Cc1cc(cc(c1N=O)C)OCF 60ce18af08b474cc262905e54094469d [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.4031 O=Cc1c(cc(cc1Br)OCF)F 5be649c9776d3f036ec9d05301021cbb [0,2,0,0,0,0|1,0,0]=3 3649 B13R1.4031 O=Cc1c(cc(cc1Cl)OCF)Cl 5ef2e02a33cc5a7baba5cd0c6ab13e71 [0,2,0,0,0,0|1,0,0]=3 3650 B13R1.4031 O=Cc1c(cc(cc1F)NCF)F 3396c6b7f91fae18f12596f189a507ce [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.4031 O=Cc1c(cc(cc1F)NCO)F e0f7642e24cac5d38259fd04455cdfc4 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.4031 O=Cc1c(cc(cc1F)OCF)F 97fc3357767811b68d425214df276f09 [0,2,0,0,0,0|1,0,0]=3 3653 B11R1.5 CCOc1cccccc1=O 9a087ec552a5042fc88f750055cfc936 [0,0,1,1,0,0|2,0,0]=4 3654 B11R1.13 CCOc1cc[nH]c(=O)c1C d1681e51c23756890bf8b1c488a4bb2f [0,0,1,1,0,0|1,0,1]=4 3655 B11R1.13 CCOc1cc[nH]c(=O)c1I e57f991e0d114620530d354ff668c2d1 [0,0,1,1,0,0|2,0,0]=4 3656 B11R1.13 CCOc1cccc(c1Br)C 269eb92fd0111125f0aaab4f1aec9761 [0,0,1,1,0,0|2,0,0]=4 3657 B11R1.13 CCOc1cccc(c1Br)Cl cd35dc4e64a38912564aaa227ff1777f [0,0,1,1,0,0|2,0,0]=4 3658 B11R1.13 CCOc1cccc(c1Br)F 9fef5d6a95a31ecc76c97eff3b3d4f5d [0,0,1,1,0,0|2,0,0]=4 3659 B11R1.13 CCOc1cccc(c1Br)I 98741aa4f48afdd5bb08fde41ff7219c [0,0,1,1,0,0|2,0,0]=4 3660 B11R1.13 CCOc1cccc(c1C)Br 3f8ac55aa301eb651635f39ca8b6324b [0,0,1,1,0,0|1,0,1]=4 3661 B11R1.13 CCOc1cccc(c1C)C 316c4d29a046c3b5ba3311300dadfb49 [0,0,1,1,0,0|1,0,1]=4 3662 B11R1.13 CCOc1cccc(c1C)Cl ace53365b59e6a437ca81e7f3be8b733 [0,0,1,1,0,0|1,0,1]=4 3663 B11R1.13 CCOc1cccc(c1C)F 18fb584cfe40008c4275507f313dd88e [0,0,1,1,0,0|1,0,1]=4 3664 B11R1.13 CCOc1cccc(c1C)I 822d56578ac52b25fbf3a38524c7b223 [0,0,1,1,0,0|1,0,1]=4 3665 B11R1.13 CCOc1cccc(c1Cl)C f24edeacf2f6ede7c925f383c34bc649 [0,0,1,1,0,0|2,0,0]=4 3666 B11R1.13 CCOc1cccc(c1Cl)Cl 3e49686041f483fe38a1856f4dd0e074 [0,0,1,1,0,0|2,0,0]=4 3667 B11R1.13 CCOc1cccc(c1Cl)F c7d4c58f4e8f718bcf0f3fc36c99bee0 [0,0,1,1,0,0|2,0,0]=4 3668 B11R1.13 CCOc1cccc(c1Cl)I 75e6ecb54aa545d9585404e8679a139f [0,0,1,1,0,0|2,0,0]=4 3669 B11R1.13 CCOc1cccc(c1F)C 9d7f361e0033642a9e0a1b6f66b1446b [0,0,1,1,0,0|2,0,0]=4 3670 B11R1.13 CCOc1cccc(c1F)Cl 63cf8aed6445997f9d0e30ab051e472c [0,0,1,1,0,0|2,0,0]=4 3671 B11R1.13 CCOc1cccc(c1F)F 8d220cb67fadeb28da807ae22721096b [0,0,1,1,0,0|2,0,0]=4 3672 B11R1.13 CCOc1cccc(c1F)I 945b392cdf8aab2dc45a7641a5a5fa97 [0,0,1,1,0,0|2,0,0]=4 3673 B11R1.13 CCOc1cccc(c1I)C 3820b734fb2310f6f6e7002f219423ce [0,0,1,1,0,0|2,0,0]=4 3674 B11R1.13 CCOc1cccc(c1I)Cl e0efdb26f4f9e4a5c4ba70b10623dda9 [0,0,1,1,0,0|2,0,0]=4 3675 B11R1.13 CCOc1cccc(c1I)F 925f923c4ea9817709ceb71cf55ff291 [0,0,1,1,0,0|2,0,0]=4 3676 B13R2.184 C=Cc1ccc(cc1)NC2CC2 f0ed6410b14ec2f5108d7802d3e5b0a0 [0,1,0,1,0,0|2,0,0]=4 3677 B13R2.184 C=Cc1ccc(cc1)OC2CC2 fc7742cea7e0d2e17389fa4147491599 [0,1,0,1,0,0|1,0,0]=3 3678 B13R2.184 COc1ccc(cc1)OC2CC2 32ae0b830a81575e6ad6b82b001de835 [0,1,0,1,0,0|2,0,0]=4 3679 B13R2.184 O=Cc1ccc(cc1)NC2CC2 f2e0060be359d1303c2c58d21098c3c4 [0,1,0,1,0,0|1,0,0]=3 3680 B13R2.184 O=Cc1ccc(cc1)OC2CC2 ed923a70e89e60f0ec478f0c884fcc07 [0,1,0,1,0,0|0,0,0]=2 3681 B13R2.184 O=Cc1ccc(cn1)NC2CC2 d626e582b4de532112f9d843c6ebe86b [0,1,0,1,0,0|2,0,0]=4 3682 B13R2.184 O=Cc1ccc(cn1)OC2CC2 819f0fc51a86d437c8a1b94d27861475 [0,1,0,1,0,0|1,0,0]=3 3683 B13R2.184 O=Cc1ccc(nc1)NC2CC2 f539ec8755c4ec36bdf9c418f638ee59 [0,1,0,1,0,0|2,0,0]=4 3684 B13R2.184 O=Cc1ccc(nc1)OC2CC2 bd57a57edb60be8ab222edb9d716ca94 [0,1,0,1,0,0|1,0,0]=3 3685 B13R2.184 O=Cc1ccc(nn1)OC2CC2 cc351fd42db3e785dc13ecf4027aac41 [0,1,0,1,0,0|2,0,0]=4 3686 B13R2.184 O=Cc1cnc(nc1)OC2CC2 457f10a2494f254a46d28c94fa20803d [0,1,0,1,0,0|2,0,0]=4 3687 B13R2.467 CCOCc1ccc2c(c1)CC2 6d158e057dd3bf0c109d779ca7209d25 [0,1,0,1,0,0|1,0,1]=4 3688 B13R2.60 CCOc1ccc(cc1)C2CC2 0d73b61ea3ec429f7b035cbd1c203358 [0,1,0,1,0,0|1,0,1]=4 3689 B13R2.60 O=CNc1ccc(cc1)C2CC2 7e82816d12dc8aaad4e943b69c8fe90e [0,1,0,1,0,0|1,0,0]=3 3690 B13R2.60 O=CNc1ccc(cn1)C2CC2 6a80a3cc3c406d05abf0d441d6e383b6 [0,1,0,1,0,0|2,0,0]=4 3691 B13R2.60 O=CNc1ccc(nc1)C2CC2 81f0918a31709597c5a3ca978b6446a2 [0,1,0,1,0,0|2,0,0]=4 3692 B13R2.449 CCNc1ccc2[nH]ccc2c1 98065b72ec95f1403bee7ee933d27e28 [0,1,0,1,0,0|2,0,0]=4 3693 B13R2.449 CCNc1ccc2[nH]cnc2c1 86fd5e45f53bd578264b270746a88950 [0,1,0,1,0,0|2,0,0]=4 3694 B13R2.449 CCNc1ccc2c(c1)CCO2 e89f269b008d059d5d75e9817de0f5e6 [0,1,0,1,0,0|1,0,1]=4 3695 B13R2.449 CCNc1ccc2cc[nH]c2c1 89aaab0a4165100ac6de9e0c157ed1bd [0,1,0,1,0,0|2,0,0]=4 3696 B13R2.449 CCNc1ccc2ccoc2c1 8b3840efc8ab22395d48a3049cc2e02a [0,1,0,1,0,0|1,0,1]=4 3697 B13R2.449 CCNc1ccc2ccsc2c1 152ec537b1a54489747fccc574ed9765 [0,1,0,1,0,0|1,1,0]=4 3698 B13R2.449 CCNc1ccc2cn[nH]c2c1 9f0159561e32ebab0ab87b4e0e442e71 [0,1,0,1,0,0|2,0,0]=4 3699 B13R2.449 CCNc1ccc2cnoc2c1 d48eacc0b5186da10849cd46cd218153 [0,1,0,1,0,0|1,0,1]=4 3700 B13R2.449 CCNc1ccc2cnsc2c1 811059bcfef4c869469d451b82cc9c6e [0,1,0,1,0,0|1,1,0]=4 3701 B13R2.449 CCNc1ccc2csnc2c1 c80de99a9a62e4a40538eec4af541aa5 [0,1,0,1,0,0|1,1,0]=4 3702 B13R2.449 CCNc1ccc2ncoc2c1 dd5e4c73c33f5a92a99b50063ce7d7b2 [0,1,0,1,0,0|1,0,1]=4 3703 B13R2.449 CCNc1ccc2ncsc2c1 bf0d3b483b3fcad30a7ce442a27ae0ff [0,1,0,1,0,0|1,1,0]=4 3704 B13R2.449 CCNc1ccc2occc2c1 359a1fd0627b6e4e537b62b306e0515c [0,1,0,1,0,0|2,0,0]=4 3705 B13R2.449 CCNc1ccc2ocnc2c1 a6e3824d198bda40072858f070c24ce0 [0,1,0,1,0,0|2,0,0]=4 3706 B13R2.449 CCNc1ccc2sccc2c1 0b220df98bf5278146ba09d185c9c859 [0,1,0,1,0,0|2,0,0]=4 3707 B13R2.449 CCNc1ccc2scnc2c1 42af03d5676f62faba7f32564f2e4ab4 [0,1,0,1,0,0|2,0,0]=4 3708 B13R2.449 CCOc1cc2[nH]ccc2cn1 121acbb7912d6967d65fe1421d2a0628 [0,1,0,1,0,0|2,0,0]=4 3709 B13R2.449 CCOc1cc2cc[nH]c2cn1 c66e763a55e4342be0be73f2fc6a0e4b [0,1,0,1,0,0|2,0,0]=4 3710 B13R2.449 CCOc1ccc2[nH]ccc2c1 e4a9672343e84f5f3eda54aa4ea33c65 [0,1,0,1,0,0|1,0,0]=3 3711 B13R2.449 CCOc1ccc2[nH]cnc2c1 5f650e34d680269d9c6fb16533900e92 [0,1,0,1,0,0|1,0,0]=3 3712 B13R2.449 CCOc1ccc2[nH]ncc2c1 a731c192126c0536c982462e975b74c1 [0,1,0,1,0,0|2,0,0]=4 3713 B13R2.449 CCOc1ccc2[nH]nnc2c1 0713b1dea13b26716ecb3764f2e3c326 [0,1,0,1,0,0|2,0,0]=4 3714 B13R2.449 CCOc1ccc2c(c1)CCC2 0a5df21aeeed3c7843a3b862767ec57f [0,1,0,1,0,0|1,0,1]=4 3715 B13R2.449 CCOc1ccc2c(c1)CCO2 c06b4d2ad092c55b94c0a9d30e314da5 [0,1,0,1,0,0|1,0,1]=4 3716 B13R2.449 CCOc1ccc2c(c1)COC2 7c3d6e38cb32e6508c349f39d7543cd5 [0,1,0,1,0,0|0,0,2]=4 3717 B13R2.449 CCOc1ccc2c(c1)OCC2 e3c3f04f1a53e0497e593e6e112acfdf [0,1,0,1,0,0|0,0,2]=4 3718 B13R2.449 CCOc1ccc2cc[nH]c2c1 405530241ab481cd5bf7307bc1a4ab7e [0,1,0,1,0,0|1,0,0]=3 3719 B13R2.449 CCOc1ccc2cc[nH]c2n1 0f97cacfc19372146588119fa804d452 [0,1,0,1,0,0|2,0,0]=4 3720 B13R2.449 CCOc1ccc2ccnn2c1 7a4c04fc609286882f0a809c31c98d8d [0,1,0,1,0,0|2,0,0]=4 3721 B13R2.449 CCOc1ccc2ccoc2c1 3277c7c95e7c109f63078887cad4dcdc [0,1,0,1,0,0|0,0,1]=3 3722 B13R2.449 CCOc1ccc2ccsc2c1 24ed0fcb626085f9909c2219fae6a841 [0,1,0,1,0,0|0,1,0]=3 3723 B13R2.449 CCOc1ccc2cn[nH]c2c1 029562f5e227580da1c366009438e441 [0,1,0,1,0,0|1,0,0]=3 3724 B13R2.449 CCOc1ccc2cn[nH]c2n1 8bffc92273914d7c106c72d398971ecf [0,1,0,1,0,0|2,0,0]=4 3725 B13R2.449 CCOc1ccc2cnoc2c1 a7a1c18bd9cf536ee3131466cefc8c19 [0,1,0,1,0,0|0,0,1]=3 3726 B13R2.449 CCOc1ccc2nccn2c1 560878e36aa4d4dde403918099e12b26 [0,1,0,1,0,0|2,0,0]=4 3727 B13R2.449 CCOc1ccc2ncnn2c1 0d9481b2301bbc2b88afb99d9b984128 [0,1,0,1,0,0|2,0,0]=4 3728 B13R2.449 CCOc1ccc2ncoc2c1 bd34a2e98aa71acf0d835675354a175c [0,1,0,1,0,0|0,0,1]=3 3729 B13R2.449 CCOc1ccc2ncsc2c1 70dba1521e6c04bcedc94df59c2836d4 [0,1,0,1,0,0|0,1,0]=3 3730 B13R2.449 CCOc1ccc2nonc2c1 d6003667939642b4c03fed0e1a427fb8 [0,1,0,1,0,0|1,0,1]=4 3731 B13R2.449 CCOc1ccc2nsnc2c1 7b5af0fc3c25c04fdff7ec22dc3f67e9 [0,1,0,1,0,0|1,1,0]=4 3732 B13R2.449 CCOc1ccc2occc2c1 22de7e286305b33af32c37453456a3dc [0,1,0,1,0,0|1,0,0]=3 3733 B13R2.449 CCOc1ccc2ocnc2c1 13ef6944b5f29dfd8d9599630c2b6b53 [0,1,0,1,0,0|1,0,0]=3 3734 B13R2.449 CCOc1ccc2sccc2c1 1a5caa021476943126bb31f735264ec4 [0,1,0,1,0,0|1,0,0]=3 3735 B13R2.449 CCOc1ccc2scnc2c1 9d2b24be673d378c22b3f1142c99c061 [0,1,0,1,0,0|1,0,0]=3 3736 B13R2.449 CCOc1ccn2ccnc2c1 ec62d7351fcbcfbee0c53924327d697a [0,1,0,1,0,0|2,0,0]=4 3737 B13R2.449 CCOc1ccn2cnnc2c1 ecefde16836d9d91aff599eadb0c52fd [0,1,0,1,0,0|2,0,0]=4 3738 B13R2.449 CCOc1ccn2nccc2c1 ed34ca2daa77ed9887359683c558cb5e [0,1,0,1,0,0|2,0,0]=4 3739 B13R2.449 CCOc1ccn2ncnc2c1 544f1c91500ba5cab1feb701277b7a67 [0,1,0,1,0,0|2,0,0]=4 3740 B13R2.449 CCOc1cnc2[nH]ccc2c1 3b77fe8a1ac763a17025d25adb109190 [0,1,0,1,0,0|2,0,0]=4 3741 B13R2.449 CCOc1cnc2[nH]cnc2c1 95a0372c7ffe72b839b9c8e531d1ac54 [0,1,0,1,0,0|2,0,0]=4 3742 B13R2.449 CCOc1cnc2cc[nH]c2c1 82e6c9a6aef14798a3984562b78e1bc4 [0,1,0,1,0,0|2,0,0]=4 3743 B13R2.449 CCOc1cnc2ccsc2c1 a074608177f922087a9f951ae67f671a [0,1,0,1,0,0|1,1,0]=4 3744 B13R2.449 CCOc1cnc2sccc2c1 06fa35fa1e0b49101f4934132eba8765 [0,1,0,1,0,0|2,0,0]=4 3745 B13R2.449 CCOc1cnc2scnc2c1 71c993d1938d5c3482ec75dc01ca7699 [0,1,0,1,0,0|2,0,0]=4 3746 B13R2.449 FCNc1ccc2c(c1)CCO2 3271a6fb14c3129b32d1c678de125313 [0,1,0,1,0,0|1,0,1]=4 3747 B13R2.449 FCOc1ccc2[nH]ccc2c1 c23c9780071811648198d22c51dd0273 [0,1,0,1,0,0|2,0,0]=4 3748 B13R2.449 FCOc1ccc2[nH]cnc2c1 1e885aecc0903f1ffcac10856c3ee91d [0,1,0,1,0,0|2,0,0]=4 3749 B13R2.449 FCOc1ccc2c(c1)CCO2 58a21b4fad7c05b4af4bff0f8b7a5794 [0,1,0,1,0,0|1,0,1]=4 3750 B13R2.449 FCOc1ccc2cc[nH]c2c1 76c4e03d140f564451d0afeef5b86fa9 [0,1,0,1,0,0|2,0,0]=4 3751 B13R2.449 FCOc1ccc2ccoc2c1 bc97838e09b8ed9e62b107a38ecdd210 [0,1,0,1,0,0|1,0,1]=4 3752 B13R2.449 FCOc1ccc2ccsc2c1 4b2bd3963a8d7deb078b5b4e68e6672b [0,1,0,1,0,0|1,1,0]=4 3753 B13R2.449 FCOc1ccc2cn[nH]c2c1 84a2ea116050013c883e2599d223f48c [0,1,0,1,0,0|2,0,0]=4 3754 B13R2.449 FCOc1ccc2cnoc2c1 9ca979b2376d86060236d0625bed4dad [0,1,0,1,0,0|1,0,1]=4 3755 B13R2.449 FCOc1ccc2ncoc2c1 e0de7a66f79275c571ec30862a1ccbdb [0,1,0,1,0,0|1,0,1]=4 3756 B13R2.449 FCOc1ccc2ncsc2c1 9bec8d7e2e6155ed9a3fceba5a95e2fb [0,1,0,1,0,0|1,1,0]=4 3757 B13R2.449 FCOc1ccc2occc2c1 21fc5b034254532d496b5c32f6768dfb [0,1,0,1,0,0|2,0,0]=4 3758 B13R2.449 FCOc1ccc2ocnc2c1 a46666f82dd9ca51cbf23dc8f65a8581 [0,1,0,1,0,0|2,0,0]=4 3759 B13R2.449 FCOc1ccc2sccc2c1 0eac249210c4cc49829184434baa8d13 [0,1,0,1,0,0|2,0,0]=4 3760 B13R2.449 FCOc1ccc2scnc2c1 b0688e9e88e88fa4d907c4199f335045 [0,1,0,1,0,0|2,0,0]=4 3761 B13R2.449 O=CNc1ccc2c(c1)CCC2 01f39accb4aff1e88b304c693e7b8291 [0,1,0,1,0,0|1,0,0]=3 3762 B13R2.449 O=CNc1ccc2c(c1)CCO2 c6fbe65fd4c227b863da2f0a89299506 [0,1,0,1,0,0|0,0,0]=2 3763 B13R2.449 O=CNc1ccc2c(c1)COC2 eeac5f23f8c085ca1796c111a294bc60 [0,1,0,1,0,0|2,0,0]=4 3764 B13R2.449 O=CNc1ccc2c(c1)OCC2 5ded0f6fd7ef1323575e0aa3646a58d4 [0,1,0,1,0,0|2,0,0]=4 3765 B13R2.449 O=CNc1ccc2c(n1)CCC2 9bb2efb4ac8c4fc8a478f544b882d288 [0,1,0,1,0,0|2,0,0]=4 3766 B13R2.449 O=CNc1ccc2c(n1)CCO2 69185a539919f9cf1981577e5c04c175 [0,1,0,1,0,0|1,0,0]=3 3767 B13R2.449 O=CNc1ccc2occc2c1 e4796008826b21798091398b34f36a75 [0,1,0,1,0,0|0,0,2]=4 3768 B13R2.449 O=CNc1ccc2ocnc2c1 ddacb6b9c1a0a9d90ed711c88644f9d4 [0,1,0,1,0,0|1,0,1]=4 3769 B13R2.449 O=CNc1ccc2oncc2c1 fc9dab8a1d280da32e2708bfe3b32f4b [0,1,0,1,0,0|1,0,1]=4 3770 B13R2.449 O=CNc1cnc2c(c1)CCC2 609349d167d71600fce2ac57f3b8ea04 [0,1,0,1,0,0|2,0,0]=4 3771 B13R2.449 O=CNc1cnc2c(c1)CCO2 03583afe124dc6e8ffafd57fe9a586b3 [0,1,0,1,0,0|1,0,0]=3 3772 B13R2.449 OCNc1ccc2c(c1)CCO2 0137edd594548c22bb9f412b79801399 [0,1,0,1,0,0|0,0,2]=4 3773 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [1,0,0,0,1,0|0,0,2]=4 3774 B9R1.7 CCOC1=CC(=O)NC1 d2d38753aca462f29461e24c45530e80 [1,0,0,0,1,0|1,0,1]=4 3775 B9R1.7 CCOC1=COC(=O)C1 d9f8c57e71131e87788948985bfcb55f [1,0,0,0,1,0|1,0,1]=4 3776 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [1,0,0,0,1,0|0,0,2]=4 3777 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [1,0,0,0,1,0|1,0,1]=4 3778 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [1,0,0,0,1,0|0,0,2]=4 3779 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [1,0,0,0,1,0|1,0,1]=4 3780 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [1,0,0,0,1,0|2,0,0]=4