0 B19R3.19255 C1=C(CCCC1)CNc2nc3ccccc3s2 1ebad895e0f1d4ae1015b7c34de276a6 [0,0,0,0,0,0|2,0,2]=4 1 B19R3.19255 C1=CC(CCC1)NCc2cc3ccccc3s2 60aa2ac8a50e1d578fa5a015762de3c5 [0,0,0,0,0,0|2,0,2]=4 2 B19R3.19255 C1=CC(CCC1)NCc2nc3ccccc3[nH]2 1d76252a7aa15ebe4b6f3ae26babbe6b [0,0,0,0,0,0|2,0,2]=4 3 B19R3.19255 C1=CC(CCC1)NCc2nc3ccccc3o2 5cd6f0e1a0754af27d62cfc9649b8769 [0,0,0,0,0,0|1,1,2]=4 4 B19R3.19255 C1=CC(CCC1)NCc2nc3ccccc3s2 44105c2859f89c56be82a3f1e746db3a [0,0,0,0,0,0|1,0,2]=3 5 B19R3.19255 C1=CC(CCC1)OCc2nc3ccccc3s2 1e9b6d43fade380db2b2aabc02a48d8c [0,0,0,0,0,0|2,0,2]=4 6 B19R3.19255 C1=CCC(CC1)CNc2nc3ccccc3s2 00d091ce16cc790a88f3761a99f53447 [0,0,0,0,0,0|2,0,2]=4 7 B19R3.19255 C1=CCC(CC1)COc2nc3ccccc3s2 c8472fee718ea8c180c29ab6dc1d7da3 [0,0,0,0,0,0|1,1,2]=4 8 B19R3.19255 C1=CCC(CC1)OCc2nc3ccccc3s2 4b9d43a8f84b5560b0077bfa212ca67e [0,0,0,0,0,0|2,0,2]=4 9 B19R3.19255 C1=CCN(CC1)CSc2nc3ccccc3s2 36472478a1e7cf0051e9d695b06b8cd8 [0,0,0,0,0,0|2,0,2]=4 10 B19R3.19255 c1cc2[nH]c(cc2cn1)CNC3CCCCC3 9e90ee684e998247e219a43809afd348 [0,0,0,0,0,0|3,0,1]=4 11 B19R3.19255 c1cc2[nH]c(nc2cn1)NCC3CCCCC3 323e0837b7725ba23c633f03368e40e6 [0,0,0,0,0,0|4,0,0]=4 12 B19R3.19255 c1cc2cc(sc2cn1)COC3CCCCC3 04d815003b16014df279627a7fd23e1b [0,0,0,0,0,0|4,0,0]=4 13 B19R3.19255 c1cc2nc(oc2cn1)NCC3CCCCC3 e667563399d964f4dd8ce9d34f326895 [0,0,0,0,0,0|3,1,0]=4 14 B19R3.19255 c1cc2nc(sc2cn1)NCC3CCCCC3 f8eaf994967a19280229a6872196a669 [0,0,0,0,0,0|3,0,0]=3 15 B19R3.19255 c1cc2nc(sc2cn1)NCC3CCCCO3 4d09b8bf7267aa7da0bdc72b26cba2aa [0,0,0,0,0,0|4,0,0]=4 16 B19R3.19255 c1cc2nc(sc2cn1)NCC3CCCOC3 9b0683326abf9c15aca71dd13d6e7c63 [0,0,0,0,0,0|4,0,0]=4 17 B19R3.19255 c1cc2nc(sc2cn1)NCC3CCOCC3 48589879db0a880d24b49e1630eddd4c [0,0,0,0,0,0|4,0,0]=4 18 B19R3.19255 c1cc2nc(sc2cn1)NCC3CCSCC3 e99eda1fc75bac4e9ad140ab68c03436 [0,0,0,0,0,0|4,0,0]=4 19 B19R3.19255 c1cc2oc(nc2cn1)NCC3CCCCC3 29fe5aabd3986a8027dfbd49eafd332f [0,0,0,0,0,0|3,1,0]=4 20 B19R3.19255 c1cc2sc(nc2cn1)NCC3CCCCC3 b5ca54ac7de7bfc4c5f9224e4c5c72ab [0,0,0,0,0,0|3,0,0]=3 21 B19R3.19255 c1cc2sc(nc2cn1)NCC3CCCCO3 3c268b93317a3467969586a560fe9898 [0,0,0,0,0,0|4,0,0]=4 22 B19R3.19255 c1cc2sc(nc2cn1)NCC3CCCOC3 51a3738156c16290f0d4ff1ecae22a9e [0,0,0,0,0,0|4,0,0]=4 23 B19R3.19255 c1cc2sc(nc2cn1)NCC3CCOCC3 015f30b1a367d3eca4a4286add2c96fe [0,0,0,0,0,0|4,0,0]=4 24 B19R3.19255 c1cc2sc(nc2cn1)NCC3CCSCC3 93d257ed4c3d805cbdf377419b5ee7a3 [0,0,0,0,0,0|4,0,0]=4 25 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCCC3 777cc64c2dc83e3254d25581fa52a291 [0,0,0,0,0,0|2,0,1]=3 26 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCCO3 257aa7e5fd1cf742a5ef1b04e70d21c4 [0,0,0,0,0,0|3,0,1]=4 27 B19R3.19255 c1ccc2[nH]c(cc2c1)COC3CCCCC3 691e9d92638866fd74aed4f9c5d41439 [0,0,0,0,0,0|3,0,1]=4 28 B19R3.19255 c1ccc2[nH]c(cc2c1)OCC3CCCCC3 b467103bb2590001da52268a48e50d4f [0,0,0,0,0,0|2,1,1]=4 29 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCC3 84c67284c7b450b045f333bb8f46d5d3 [0,0,0,0,0,0|2,0,0]=2 30 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCO3 8596694c1783dcbeaea24e88dc038921 [0,0,0,0,0,0|3,0,0]=3 31 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCOC3 ce99104926f60312ec924e24f47f7bc8 [0,0,0,0,0,0|3,0,0]=3 32 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 f3061990036931c771e780c73230c8de [0,0,0,0,0,0|3,0,0]=3 33 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCSCC3 d6546a3008d51d1282ba099c7f4eb8b5 [0,0,0,0,0,0|3,0,0]=3 34 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CSCSC3 e519ca70e1468961aaf842de56ca5324 [0,0,0,0,0,0|4,0,0]=4 35 B19R3.19255 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCCOC3 2352cefcb485cfae3f5539b7d97107d7 [0,0,0,0,0,0|3,0,0]=3 36 B19R3.19255 c1ccc2[nH]c(nc2c1)CN[C@H]3CCCOC3 e2cd9d10a82c7e022eaddf9eef240b55 [0,0,0,0,0,0|3,0,0]=3 37 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCCC3 2e3714c91e0e53b061e5941d5f477559 [0,0,0,0,0,0|3,0,0]=3 38 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCCO3 356d711ebc49b07d1baa42a4ccb13feb [0,0,0,0,0,0|4,0,0]=4 39 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCOC3 c9038e1732f4b6b809142d812351ee52 [0,0,0,0,0,0|4,0,0]=4 40 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCSC3 6f462742a5f95405b5a86d4e8f6ac5fa [0,0,0,0,0,0|4,0,0]=4 41 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCOCC3 c1e8e3dd7e4ed7ee3b54c550aa526457 [0,0,0,0,0,0|4,0,0]=4 42 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCSCC3 1686000a9cb2d2942b6cfe465ed5c22b [0,0,0,0,0,0|4,0,0]=4 43 B19R3.19255 c1ccc2[nH]c(nc2c1)CO[C@@H]3CCCOC3 cac67da6f6ff6dc36ef20176fde716ca [0,0,0,0,0,0|4,0,0]=4 44 B19R3.19255 c1ccc2[nH]c(nc2c1)CO[C@H]3CCCOC3 58c93b6584b90a6e71c3afe8d2e8fd42 [0,0,0,0,0,0|4,0,0]=4 45 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCCC3 c4190e1acc97e17c10ade96517586807 [0,0,0,0,0,0|3,0,0]=3 46 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCCO3 ce310f05d6b9341377e25794acf1298b [0,0,0,0,0,0|4,0,0]=4 47 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCOC3 390de00eb2b8900a25373ac2d9fc3019 [0,0,0,0,0,0|4,0,0]=4 48 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCOCC3 1622542e2c9548b6ed8c57460d6ddce6 [0,0,0,0,0,0|4,0,0]=4 49 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCSCC3 97e8689d60da80a144c020e468ff4496 [0,0,0,0,0,0|4,0,0]=4 50 B19R3.19255 c1ccc2[nH]c(nc2c1)OCC3CCCCC3 3e310c60781edd1115634d3bfb84faae [0,0,0,0,0,0|2,1,0]=3 51 B19R3.19255 c1ccc2[nH]c(nc2c1)OCC3CCCCO3 ddff1355fee1ebc4ac939e223c8736b1 [0,0,0,0,0,0|3,1,0]=4 52 B19R3.19255 c1ccc2[nH]c(nc2c1)OCC3CCCOC3 dd67e898b6a0e49d96f33b18961c7814 [0,0,0,0,0,0|3,1,0]=4 53 B19R3.19255 c1ccc2[nH]c(nc2c1)OCC3CCOCC3 ef5e8e3e1ae38e2d7b0e5ecef8a8315d [0,0,0,0,0,0|3,1,0]=4 54 B19R3.19255 c1ccc2[nH]c(nc2c1)OCC3CCSCC3 b5750a2e4c2e0362687a37ff7974e30b [0,0,0,0,0,0|3,1,0]=4 55 B19R3.19255 c1ccc2c(c1)CC(C2)CNC3CCCCC3 0a907a58ca05ebb81706a922f795941f [0,0,0,0,0,0|3,0,1]=4 56 B19R3.19255 c1ccc2c(c1)CC(O2)CNC3CCCCC3 40b4ae5701cec4d1b9b03c6bab763f76 [0,0,0,0,0,0|2,1,1]=4 57 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCCC3 dea29cc6712e7fe725fab3e73af52207 [0,0,0,0,0,0|2,1,0]=3 58 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCCO3 be9b59f0948a7a238e4398d90ae08824 [0,0,0,0,0,0|3,1,0]=4 59 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCOC3 c8ac44187e4650c343453a1ee20fc087 [0,0,0,0,0,0|3,1,0]=4 60 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCOCC3 77e715aca8da9e5a47aad9af952dbfd5 [0,0,0,0,0,0|3,1,0]=4 61 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCSCC3 0b02c2381b2216f5d37ba01a1908315e [0,0,0,0,0,0|3,1,0]=4 62 B19R3.19255 c1ccc2oc(cc2c1)COC3CCCCC3 926386d3f530c1620aa6a17aa3e1b389 [0,0,0,0,0,0|3,1,0]=4 63 B19R3.19255 c1ccc2oc(cc2c1)NCC3CCCCC3 0eac27a72dc78feaadc45bba3bcfd017 [0,0,0,0,0,0|3,1,0]=4 64 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCCC3 252997d0ea9fbd7122c1069506150264 [0,0,0,0,0,0|1,1,0]=2 65 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCCO3 55105f6da076bb4a0455d210b60630b8 [0,0,0,0,0,0|2,1,0]=3 66 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCOC3 d079b1f86af4c4f13ff40dd625c7b599 [0,0,0,0,0,0|2,1,0]=3 67 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 06a40ec5e3c306b01b31a8798c97bc78 [0,0,0,0,0,0|2,1,0]=3 68 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCSCC3 72ccc8015eab57629e5b4f9df3d53f4f [0,0,0,0,0,0|2,1,0]=3 69 B19R3.19255 c1ccc2oc(nc2c1)CNC3CSCSC3 3c40b438ba7b176cde3fdc90f3e67d92 [0,0,0,0,0,0|3,1,0]=4 70 B19R3.19255 c1ccc2oc(nc2c1)CN[C@@H]3CCCOC3 55f34a8d8d50959785869e054c7f0055 [0,0,0,0,0,0|2,1,0]=3 71 B19R3.19255 c1ccc2oc(nc2c1)CN[C@H]3CCCOC3 43317f71a493889c1b8adae4df19a841 [0,0,0,0,0,0|2,1,0]=3 72 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCCC3 ebd0e3a96580a527ab7ad0e7bc96ba46 [0,0,0,0,0,0|2,1,0]=3 73 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCCO3 52312678dcabac2a4f0f2295b269e03a [0,0,0,0,0,0|3,1,0]=4 74 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCOC3 394ae6dabc4445738c4b7ddc0e9fad27 [0,0,0,0,0,0|3,1,0]=4 75 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCSC3 d732698bf5b927298db4dd2446749f8d [0,0,0,0,0,0|3,1,0]=4 76 B19R3.19255 c1ccc2oc(nc2c1)COC3CCOCC3 17945964cd77032ec70c9ddac848fbf1 [0,0,0,0,0,0|3,1,0]=4 77 B19R3.19255 c1ccc2oc(nc2c1)COC3CCSCC3 aee34855c7021af675ab7f842c5f651c [0,0,0,0,0,0|3,1,0]=4 78 B19R3.19255 c1ccc2oc(nc2c1)CO[C@@H]3CCCOC3 471fef4abe4220fc18f34b906dc6f7e4 [0,0,0,0,0,0|3,1,0]=4 79 B19R3.19255 c1ccc2oc(nc2c1)CO[C@H]3CCCOC3 b1f2bf19716d45be5caeb29c1a4da0a4 [0,0,0,0,0,0|3,1,0]=4 80 B19R3.19255 c1ccc2oc(nc2c1)NCC3CCCCC3 ac4fda1a3080bd73099bfcd47a355262 [0,0,0,0,0,0|2,1,0]=3 81 B19R3.19255 c1ccc2oc(nc2c1)NCC3CCCCO3 b57bbf62c8cdef99d217c3f15b7facad [0,0,0,0,0,0|3,1,0]=4 82 B19R3.19255 c1ccc2oc(nc2c1)NCC3CCCOC3 ea3c66a1d4e3bfa908e3894958723a84 [0,0,0,0,0,0|3,1,0]=4 83 B19R3.19255 c1ccc2oc(nc2c1)NCC3CCOCC3 6c5dde7af5837fae71a07774ae48f302 [0,0,0,0,0,0|3,1,0]=4 84 B19R3.19255 c1ccc2oc(nc2c1)NCC3CCSCC3 d3f2e2181eaafbaddbde5a2d51bcfe37 [0,0,0,0,0,0|3,1,0]=4 85 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCCC3 5ad137bf5275abf745672160e2d34877 [0,0,0,0,0,0|2,0,0]=2 86 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCCO3 01364d474de3fddd7bdf28dc50181f1d [0,0,0,0,0,0|3,0,0]=3 87 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 be70ddef4b1a467efd0a57974e72a0b2 [0,0,0,0,0,0|3,0,0]=3 88 B19R3.19255 c1ccc2sc(cc2c1)CNC3CSCSC3 3d8b2685853089bff011bf095a3ea754 [0,0,0,0,0,0|4,0,0]=4 89 B19R3.19255 c1ccc2sc(cc2c1)COC3CCCCC3 6355e91c8d4c88bde6dfc76cb5aff5a0 [0,0,0,0,0,0|3,0,0]=3 90 B19R3.19255 c1ccc2sc(cc2c1)COC3CCCCO3 cffc4002e0b4a8450ec65794da5e4d28 [0,0,0,0,0,0|4,0,0]=4 91 B19R3.19255 c1ccc2sc(cc2c1)COC3CCCOC3 729d58eadb37efc4709ce9778932b419 [0,0,0,0,0,0|4,0,0]=4 92 B19R3.19255 c1ccc2sc(cc2c1)COC3CCCSC3 dd7db85233f09d8eb6c4268328295720 [0,0,0,0,0,0|4,0,0]=4 93 B19R3.19255 c1ccc2sc(cc2c1)COC3CCOCC3 52f2e21755bd252ddfa545c429c873d2 [0,0,0,0,0,0|4,0,0]=4 94 B19R3.19255 c1ccc2sc(cc2c1)COC3CCSCC3 0899b1b6bb398b3ecebc77e7a2a01842 [0,0,0,0,0,0|4,0,0]=4 95 B19R3.19255 c1ccc2sc(cc2c1)CO[C@@H]3CCCOC3 a53bbdbaa04b4675dd920821c4219595 [0,0,0,0,0,0|4,0,0]=4 96 B19R3.19255 c1ccc2sc(cc2c1)CO[C@H]3CCCOC3 7e028043e78232ac0ee9609d4010f295 [0,0,0,0,0,0|4,0,0]=4 97 B19R3.19255 c1ccc2sc(cc2c1)NCC3CCCCC3 858b102382c8f9e8a390959bda35fd09 [0,0,0,0,0,0|3,0,0]=3 98 B19R3.19255 c1ccc2sc(cc2c1)NCC3CCCCO3 6d0cff8a0380ebf558c61313c2da17ef [0,0,0,0,0,0|4,0,0]=4 99 B19R3.19255 c1ccc2sc(cc2c1)NCC3CCCOC3 9b0fe63ef2d06d6a053e706a93822a56 [0,0,0,0,0,0|4,0,0]=4 100 B19R3.19255 c1ccc2sc(cc2c1)NCC3CCOCC3 c1c32abdd9ef6e0fa8b063e0f4d1f785 [0,0,0,0,0,0|4,0,0]=4 101 B19R3.19255 c1ccc2sc(cc2c1)OCC3CCCCC3 2248000672cfebc1d7febc4d51a9753a [0,0,0,0,0,0|2,1,0]=3 102 B19R3.19255 c1ccc2sc(cc2c1)OCC3CCCCO3 ded5b3ecb7688f9119829d35a81407c3 [0,0,0,0,0,0|3,1,0]=4 103 B19R3.19255 c1ccc2sc(cc2c1)OCC3CCCOC3 7f7264f1e4a4fce8182bca0859cddacf [0,0,0,0,0,0|3,1,0]=4 104 B19R3.19255 c1ccc2sc(cc2c1)OCC3CCOCC3 dcefb9918a790fa932f1bdc02cacb5b6 [0,0,0,0,0,0|3,1,0]=4 105 B19R3.19255 c1ccc2sc(cc2c1)OCC3CCSCC3 6c0ba6412a54a5a3a57100e525074d8b [0,0,0,0,0,0|3,1,0]=4 106 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 7b2ffc8d881c8ed0f22a9058db843543 [0,0,0,0,0,0|1,0,0]=1 107 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCO3 56baee5073fff8d4cb1cea8fca676fd1 [0,0,0,0,0,0|2,0,0]=2 108 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCOC3 3011de66d9144802fa25aebe26a971fa [0,0,0,0,0,0|2,0,0]=2 109 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 b074d188f8e57b58fb9a4e4eba3c9ffa [0,0,0,0,0,0|2,0,0]=2 110 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 f499fc3dd8e973f82ca5ee7cbd3d7a2f [0,0,0,0,0,0|2,0,0]=2 111 B19R3.19255 c1ccc2sc(nc2c1)CNC3CSCSC3 a8146e77881a3cd9f01c14fbf31a8f24 [0,0,0,0,0,0|3,0,0]=3 112 B19R3.19255 c1ccc2sc(nc2c1)CN[C@@H]3CCCOC3 8ac6b754634541056d599519fd4c60da [0,0,0,0,0,0|2,0,0]=2 113 B19R3.19255 c1ccc2sc(nc2c1)CN[C@H]3CCCOC3 d92c82c6c89cba4713039b12cf0247f2 [0,0,0,0,0,0|2,0,0]=2 114 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCC3 81b94dbfd9a1e54d7386c8275bcada6a [0,0,0,0,0,0|2,0,0]=2 115 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCO3 e50a41735a1ed343ac2d2bb62cb8dd7f [0,0,0,0,0,0|3,0,0]=3 116 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCOC3 3d4c83d08bee9cf762b4c4ed4baf8b39 [0,0,0,0,0,0|3,0,0]=3 117 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCSC3 9d2283a124d8c294868cc49a72409feb [0,0,0,0,0,0|3,0,0]=3 118 B19R3.19255 c1ccc2sc(nc2c1)COC3CCOCC3 7d3355203435655a3516feba5abf8d92 [0,0,0,0,0,0|3,0,0]=3 119 B19R3.19255 c1ccc2sc(nc2c1)COC3CCSCC3 ae46455b1f3e22cf4a03680756b9b096 [0,0,0,0,0,0|3,0,0]=3 120 B19R3.19255 c1ccc2sc(nc2c1)CO[C@@H]3CCCOC3 6aa69076843a19b311c0cb31eeb87d55 [0,0,0,0,0,0|3,0,0]=3 121 B19R3.19255 c1ccc2sc(nc2c1)CO[C@H]3CCCOC3 5ede8ee2a0ae56f5e770545dd74393e9 [0,0,0,0,0,0|3,0,0]=3 122 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCCC3 ce84c0497d5037238c49d951c31b3341 [0,0,0,0,0,0|2,0,0]=2 123 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCCO3 1b8ab62cec1ec9602eafd08fbe38ea5b [0,0,0,0,0,0|3,0,0]=3 124 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCOC3 d0c525ad33bcacebb94ef9640b7ffcb6 [0,0,0,0,0,0|3,0,0]=3 125 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCOCC3 27fc3a6a70ffdf0674f1b319a5bbd837 [0,0,0,0,0,0|3,0,0]=3 126 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCSCC3 29e4427018312e4eeed0c943749c82ad [0,0,0,0,0,0|3,0,0]=3 127 B19R3.19255 c1ccc2sc(nc2c1)NCC3COCCO3 1a10020e58b47941e3e391ba0dc6068d [0,0,0,0,0,0|4,0,0]=4 128 B19R3.19255 c1ccc2sc(nc2c1)NC[C@H]3COCCO3 b8aa167d1b632db326dbe0d7ded03ac7 [0,0,0,0,0,0|4,0,0]=4 129 B19R3.19255 c1ccc2sc(nc2c1)OCC3CCCCC3 f8306191559194d787bd63be1c86c30e [0,0,0,0,0,0|1,1,0]=2 130 B19R3.19255 c1ccc2sc(nc2c1)OCC3CCCCO3 9d647acf3380ab8fd60c6a14f664277d [0,0,0,0,0,0|2,1,0]=3 131 B19R3.19255 c1ccc2sc(nc2c1)OCC3CCCOC3 c8ab5664dbc14bd9e19936ff752b1fe6 [0,0,0,0,0,0|2,1,0]=3 132 B19R3.19255 c1ccc2sc(nc2c1)OCC3CCOCC3 f8a8136c1b9da5e1cc9d1da9aa8026e3 [0,0,0,0,0,0|2,1,0]=3 133 B19R3.19255 c1ccc2sc(nc2c1)OCC3CCSCC3 058cd608491f2757df0c2512dfede567 [0,0,0,0,0,0|2,1,0]=3 134 B19R3.19255 c1ccc2sc(nc2c1)OCC3COCCO3 6832ca329339ef0db4adf119e6754ba0 [0,0,0,0,0,0|3,1,0]=4 135 B19R3.19255 c1ccc2sc(nc2c1)SCN3CCCOC3 da2baa928a923deb8eb730eb084d8625 [0,0,0,0,0,0|3,0,0]=3 136 B19R3.19255 c1ccc2sc(nc2c1)SCN3CCCSC3 d607b55c52b8e01893d1473251cdc371 [0,0,0,0,0,0|3,0,0]=3 137 B19R3.19255 c1ccc2sc(nc2c1)SCN3CCOCC3 d24b877cb5399d2fcefe7ec9840c0637 [0,0,0,0,0,0|3,0,0]=3 138 B19R3.19255 c1ccc2sc(nc2c1)SCN3CCSCC3 78249b24398449fa360f6c244fe08159 [0,0,0,0,0,0|3,0,0]=3 139 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCC3 f44786129867d6f7f08685d09939f958 [0,0,0,0,0,0|3,0,0]=3 140 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCO3 c372eb14957cd037cf644aa3ce9e4201 [0,0,0,0,0,0|4,0,0]=4 141 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCOC3 619f253af5da251bc3a549fa0fdd5ac2 [0,0,0,0,0,0|4,0,0]=4 142 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCOCC3 14094ab3371df114ce3eccde90fd4fd5 [0,0,0,0,0,0|4,0,0]=4 143 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 3cd9bbc009d57da772ffb6fb827f3706 [0,0,0,0,0,0|4,0,0]=4 144 B19R3.19255 c1ccn2cc(nc2c1)CN[C@@H]3CCCOC3 0b2a329cbc86fcd028e60d2b074e3b6f [0,0,0,0,0,0|4,0,0]=4 145 B19R3.19255 c1ccn2cc(nc2c1)CN[C@H]3CCCOC3 bacc613d21d6fb02ec4f6d597d046f31 [0,0,0,0,0,0|4,0,0]=4 146 B19R3.19255 c1ccn2cc(nc2c1)COC3CCCCC3 8828a2ee73a7086df7fed17dea2cdb32 [0,0,0,0,0,0|4,0,0]=4 147 B19R3.19255 c1ccn2cc(nc2c1)NCC3CCCCC3 1b4a26846359e4026402320cf56bc951 [0,0,0,0,0,0|4,0,0]=4 148 B19R3.19255 c1ccn2cc(nc2c1)OCC3CCCCC3 c1749993dd92ec34795aadd1e723cef7 [0,0,0,0,0,0|3,1,0]=4 149 B19R3.19255 c1ccn2nc(cc2c1)CNC3CCCCC3 8be3d346f5fd21998e5d66e7ebbc38ac [0,0,0,0,0,0|3,0,0]=3 150 B19R3.19255 c1ccn2nc(cc2c1)CNC3CCCCO3 b29825ca440204e2651e3a4224c95c31 [0,0,0,0,0,0|4,0,0]=4 151 B19R3.19255 c1ccn2nc(cc2c1)CNC3CCCOC3 ff408bc159a5863d28068154181f6a15 [0,0,0,0,0,0|4,0,0]=4 152 B19R3.19255 c1ccn2nc(cc2c1)CNC3CCOCC3 c97594639c4becb7eb2598dcc9aa2d05 [0,0,0,0,0,0|4,0,0]=4 153 B19R3.19255 c1ccn2nc(cc2c1)CNC3CCSCC3 7317cff87a15dae3ae0c0acabbfba969 [0,0,0,0,0,0|4,0,0]=4 154 B19R3.19255 c1ccn2nc(cc2c1)COC3CCCCC3 9d36da850f9ddc6bcb4f5ee42aad2e28 [0,0,0,0,0,0|4,0,0]=4 155 B19R3.19255 c1ccn2nc(cc2c1)NCC3CCCCC3 971a22958351d3a81352d77650271829 [0,0,0,0,0,0|4,0,0]=4 156 B19R3.19255 c1ccn2nc(cc2c1)OCC3CCCCC3 ebfa20cf594c1548086de88228bc4551 [0,0,0,0,0,0|3,1,0]=4 157 B19R3.19255 c1ccn2nc(nc2c1)CNC3CCOCC3 e32d6c0583525c77e1db6cfbe33b5dbf [0,0,0,0,0,0|4,0,0]=4 158 B19R3.19255 c1ccn2nc(nc2c1)COC3CCCCC3 25e6f460a64506fb1f4839387d8bf032 [0,0,0,0,0,0|4,0,0]=4 159 B19R3.19255 c1ccn2nc(nc2c1)NCC3CCCCC3 431040399bcc46b83c7b30b7c21c917e [0,0,0,0,0,0|4,0,0]=4 160 B19R3.19255 c1cn2cc(nc2cn1)CNC3CCCCC3 18ab8020db101dbc004f72b7dc3b3db1 [0,0,0,0,0,0|4,0,0]=4 161 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCCOC3 329320d9045e4c34c678c746f20e01ef [0,0,0,0,0,0|4,0,0]=4 162 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCOCC3 c5d7bd56719565c0cf448d1c47141eca [0,0,0,0,0,0|4,0,0]=4 163 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCSCC3 fac9776c0f426162923418e40c9e7580 [0,0,0,0,0,0|4,0,0]=4 164 B19R3.19255 c1cnc2[nH]c(nc2c1)CN[C@@H]3CCCOC3 dd1a1b19a621a24d44fdbf0f5a1fe6ad [0,0,0,0,0,0|4,0,0]=4 165 B19R3.19255 c1cnc2[nH]c(nc2c1)CN[C@H]3CCCOC3 e0b41000a0a3145ac1172219257f289d [0,0,0,0,0,0|4,0,0]=4 166 B19R3.19255 c1cnc2[nH]c(nc2c1)COC3CCCCC3 c1384a5fb7a496a36674f71467a5470a [0,0,0,0,0,0|4,0,0]=4 167 B19R3.19255 c1cnc2cc(sc2c1)CNC3CCCCC3 84ae613d9276f2a6794af7f6a5b62de5 [0,0,0,0,0,0|3,0,0]=3 168 B19R3.19255 c1cnc2cc(sc2c1)CNC3CCCCO3 537ea14754879c77f350843c2aedf08f [0,0,0,0,0,0|4,0,0]=4 169 B19R3.19255 c1cnc2nc([nH]c2c1)NCC3CCCCC3 8635b34f7b2cc25cb2cd265030ea8214 [0,0,0,0,0,0|4,0,0]=4 170 B19R3.19255 c1cnc2nc(cn2c1)CNC3CCCCC3 230541b5293186e165f7af5dbd80b34f [0,0,0,0,0,0|4,0,0]=4 171 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCCOC3 78b8a39b5fa34355f2071f43d98072f1 [0,0,0,0,0,0|3,1,0]=4 172 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCOCC3 d1411d9de2c4046438a34ffcbd432157 [0,0,0,0,0,0|3,1,0]=4 173 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCSCC3 90f6801119cae050704eb995d0de53cf [0,0,0,0,0,0|3,1,0]=4 174 B19R3.19255 c1cnc2nc(oc2c1)CN[C@@H]3CCCOC3 c0029d93319af8d84e64a69d03015e95 [0,0,0,0,0,0|3,1,0]=4 175 B19R3.19255 c1cnc2nc(oc2c1)CN[C@H]3CCCOC3 a588e08bb81672f4c8c2c0988be44d4f [0,0,0,0,0,0|3,1,0]=4 176 B19R3.19255 c1cnc2nc(oc2c1)COC3CCCCC3 665f421930bb012dcca55fadd2ddad9f [0,0,0,0,0,0|3,1,0]=4 177 B19R3.19255 c1cnc2nc(oc2c1)NCC3CCCCC3 5c6a670efddb57e1729a06e2108ce8cd [0,0,0,0,0,0|3,1,0]=4 178 B19R3.19255 c1cnc2nc(sc2c1)NCC3CCCCC3 00743068833c7b81a74d41ee7f181600 [0,0,0,0,0,0|3,0,0]=3 179 B19R3.19255 c1cnc2nc(sc2c1)NCC3CCCCO3 c5d8dde0ba5a943c96607ac984e7288e [0,0,0,0,0,0|4,0,0]=4 180 B19R3.19255 c1cnc2nc(sc2c1)NCC3CCCOC3 624c8abe8c41009a01ee0f2c1fd66d94 [0,0,0,0,0,0|4,0,0]=4 181 B19R3.19255 c1cnc2nc(sc2c1)NCC3CCOCC3 c451ca2e2abd34c6f3dc69bfa722eb73 [0,0,0,0,0,0|4,0,0]=4 182 B19R3.19255 c1cnc2nc(sc2c1)NCC3CCSCC3 063c70c2d53b1ed7cd68e603302844f7 [0,0,0,0,0,0|4,0,0]=4 183 B19R3.19255 c1cnc2oc(nc2c1)CNC3CCCCC3 0c0ef50a534985f34e5d22faa61c1dfa [0,0,0,0,0,0|2,1,0]=3 184 B19R3.19255 c1cnc2oc(nc2c1)CNC3CCCCO3 cd320c8f7a92d27ebf04a33a863c73cc [0,0,0,0,0,0|3,1,0]=4 185 B19R3.19255 c1cnc2oc(nc2c1)CNC3CCCOC3 ec124cd09f4a820728a4edc85e88486b [0,0,0,0,0,0|3,1,0]=4 186 B19R3.19255 c1cnc2oc(nc2c1)CNC3CCOCC3 bd9d382f291fe586007cb89addf6157f [0,0,0,0,0,0|3,1,0]=4 187 B19R3.19255 c1cnc2oc(nc2c1)CNC3CCSCC3 7e19f527ccc6d88aa97c8c8c2376636b [0,0,0,0,0,0|3,1,0]=4 188 B19R3.19255 c1cnc2oc(nc2c1)NCC3CCCCC3 af29313281efb227c260f57283a8829a [0,0,0,0,0,0|3,1,0]=4 189 B19R3.19255 c1cnc2sc(cc2c1)COC3CCCCC3 462319cd544d1e2c6615b15f8f88c62e [0,0,0,0,0,0|4,0,0]=4 190 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCCC3 18262c6099cd34098a95564b15cf3f2e [0,0,0,0,0,0|3,0,0]=3 191 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCCO3 33341ec43dab36c73400119deac994c6 [0,0,0,0,0,0|4,0,0]=4 192 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCOC3 514a3785bc4d29175b8a91a289db08b1 [0,0,0,0,0,0|4,0,0]=4 193 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCOCC3 004518be9076d6880383fd78c75acb7b [0,0,0,0,0,0|4,0,0]=4 194 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCSCC3 25f562722a779f6a474822456cff94ef [0,0,0,0,0,0|4,0,0]=4 195 B19R3.19255 c1cnc2sc(nc2n1)NCC3CCCCC3 7c17bfe071b9bae04678417827327d15 [0,0,0,0,0,0|4,0,0]=4 196 B19R3.19255 c1ncc2nc(sc2n1)NCC3CCCCC3 21f34beace8518be619eda9565573bb1 [0,0,0,0,0,0|4,0,0]=4 197 B20R3.277 Brc1c(sc2c1cccc2)COC3CCCCC3 e107a9806f9a1f0d7456d37a2f6eb78c [0,1,0,0,0,0|3,0,0]=4 198 B20R3.277 Cc1c(oc2c1cccc2)CNC3CCCCC3 f6eec3785f12c7b6cc0594a89807af32 [0,1,0,0,0,0|2,1,0]=4 199 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 7589263e3e677e5cf7530c765ac66f18 [0,1,0,0,0,0|3,0,0]=4 200 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 fc62fc1c75f9f4dbbaf5d70840b074bf [0,1,0,0,0,0|3,0,0]=4 201 B20R3.277 Clc1c(sc2c1cccc2)COC3CCCCC3 9a3c13930f30b3f7c752be44dec7986d [0,1,0,0,0,0|3,0,0]=4 202 B20R3.277 Cn1c(cc2c1cccc2)CNC3CCCCC3 9b032a1c7fe2322a9609fbe42e6bbfc4 [0,1,0,0,0,0|2,0,1]=4 203 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 45b75f4cadb55e0799862f6939ef8477 [0,1,0,0,0,0|2,0,0]=3 204 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCO3 66a085a6e4a36141e66ab9e0ecee1e85 [0,1,0,0,0,0|3,0,0]=4 205 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 f8dbe171048b51a52d5256e6f59373ef [0,1,0,0,0,0|3,0,0]=4 206 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 fb4c21ccab07c5f45cc76837adff8ca5 [0,1,0,0,0,0|3,0,0]=4 207 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 7fa61934d4a4a986c2eb51a52119cbfb [0,1,0,0,0,0|3,0,0]=4 208 B20R3.277 Cn1c(nc2c1cccc2)CN[C@@H]3CCCOC3 d28a92fc52e161bc01adea5e18fb2fbb [0,1,0,0,0,0|3,0,0]=4 209 B20R3.277 Cn1c(nc2c1cccc2)CN[C@H]3CCCOC3 e5b2231fbbfebd1ce860c205f0e811c0 [0,1,0,0,0,0|3,0,0]=4 210 B20R3.277 Cn1c(nc2c1cccc2)COC3CCCCC3 7463238f090bc3fdfcbb423212f2896e [0,1,0,0,0,0|3,0,0]=4 211 B20R3.277 Cn1c(nc2c1cccc2)NCC3CCCCC3 0ddef700a9743603febc38e84359b1ec [0,1,0,0,0,0|3,0,0]=4 212 B20R3.277 Cn1c(nc2c1nccc2)CNC3CCCCC3 590a538bff5b99637c0b59a4be82e08e [0,1,0,0,0,0|3,0,0]=4 213 B20R3.16119 CC(Nc1cc2ccccc2s1)C3CCCCC3 726bdeade03da8e3b6d3beed8ecff4be [0,1,0,0,0,0|3,0,0]=4 214 B20R3.16119 CC(Nc1nc2ccccc2[nH]1)C3CCCCC3 629daab3007940526678df57f25cd698 [0,1,0,0,0,0|3,0,0]=4 215 B20R3.16119 CC(Nc1nc2ccccc2o1)C3CCCCC3 5fcd7a5590704e5732204332a9cc22cf [0,1,0,0,0,0|2,1,0]=4 216 B20R3.16119 CC(Nc1nc2ccccc2s1)C3CCOCC3 ddf779c8b9eb405e099de8c37a875d9c [0,1,0,0,0,0|3,0,0]=4 217 B20R3.16119 CC(Nc1nc2cccnc2s1)C3CCCCC3 202accf56aa1cbf6dd0af17dd9c33b4f [0,1,0,0,0,0|3,0,0]=4 218 B20R3.16119 CC(Nc1nc2ccncc2s1)C3CCCCC3 4e2b487675e80b25f509fa624d0695ca [0,1,0,0,0,0|3,0,0]=4 219 B20R3.16119 CC(Nc1nc2cnccc2s1)C3CCCCC3 4564f725e4c225307cb286204f2cac7a [0,1,0,0,0,0|3,0,0]=4 220 B20R3.16119 CC(Nc1nc2ncccc2s1)C3CCCCC3 c0a0e33734d5eced655272109d7d38ec [0,1,0,0,0,0|3,0,0]=4 221 B20R3.16119 CC(Oc1nc2ccccc2[nH]1)C3CCCCC3 0d54e7c2841f03ee4c6541bf9968c0c9 [0,1,0,0,0,0|2,1,0]=4 222 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCCC3 bbfec561865850392999a4437c24c882 [0,1,0,0,0,0|2,0,0]=3 223 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCOCC3 8d52073feac5c2687ef31fee939e87d8 [0,1,0,0,0,0|3,0,0]=4 224 B20R3.16119 CN(Cc1cc2cccnc2s1)C3CCCCC3 4035e14e7318fd49fcf4da4c457c530a [0,1,0,0,0,0|3,0,0]=4 225 B20R3.16119 CN(Cc1cn2ccccc2n1)C3CCCCC3 9d66ec191e2b03c4242e29472a9a6d8c [0,1,0,0,0,0|3,0,0]=4 226 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 8cfd4e808828c6f7368666bd1ab465d3 [0,1,0,0,0,0|2,0,0]=3 227 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCO3 424f0c09c9d8ed19954f0505237f86b0 [0,1,0,0,0,0|3,0,0]=4 228 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCOC3 0f565f7234fc20dc5df82ad611879d1f [0,1,0,0,0,0|3,0,0]=4 229 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 8e292ceb14491c593a4f66a248320dd4 [0,1,0,0,0,0|3,0,0]=4 230 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 a177e5eeb43f615bbca2b9311695c0f2 [0,1,0,0,0,0|3,0,0]=4 231 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCCCC3 a359c3c5e186bd5d3e0f307f9f72900b [0,1,0,0,0,0|1,1,0]=3 232 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCCCO3 1c365f51b339b0397668f6a892dd1fe9 [0,1,0,0,0,0|2,1,0]=4 233 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCCOC3 f697a482411ea1de396fe637bddcd8f0 [0,1,0,0,0,0|2,1,0]=4 234 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCOCC3 eb33f938f7047b353428c9799fef62e5 [0,1,0,0,0,0|2,1,0]=4 235 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCSCC3 ad56878bdb2c25a3d31dff243c540cd6 [0,1,0,0,0,0|2,1,0]=4 236 B20R3.16119 CN(Cc1nc2ccccc2s1)C3C=CCCC3 8a95815b736c0fc15328d86da52ba06b [0,1,0,0,0,0|1,0,2]=4 237 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 ff0e12e369a2c39e4cc46dc285be0431 [0,1,0,0,0,0|1,0,0]=2 238 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCOC3 1f4ef1ddba702ed1537f190d2e99df44 [0,1,0,0,0,0|2,0,0]=3 239 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 178959382afaa191644e66a8f4fc783d [0,1,0,0,0,0|2,0,0]=3 240 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 d7c1f63960c833e44f513b6f285781d6 [0,1,0,0,0,0|2,0,0]=3 241 B20R3.16119 CN(Cc1nc2cccnc2[nH]1)C3CCCCC3 7d87636323701c54c853b41bdbd75ff1 [0,1,0,0,0,0|3,0,0]=4 242 B20R3.16119 CN(Cc1nc2ncccc2o1)C3CCCCC3 b7a503ba1b5afa05cef29da17a4dd2fa [0,1,0,0,0,0|2,1,0]=4 243 B20R3.16119 C[C@@H](Nc1cc2ccccc2s1)C3CCCCC3 7fa094f12c825dc2b446222a0ed91d46 [0,1,0,0,0,0|3,0,0]=4 244 B20R3.16119 C[C@@H](Nc1nc2ccccc2o1)C3CCCCC3 5439937adde77ac0c4d75559c2f797d6 [0,1,0,0,0,0|2,1,0]=4 245 B20R3.16119 C[C@@H](Nc1nc2ccccc2s1)C3CCOCC3 a6489afe7325b984ba3cee01d37799d9 [0,1,0,0,0,0|3,0,0]=4 246 B20R3.16119 C[C@H](Nc1cc2ccccc2s1)C3CCCCC3 2803104e25a9706046fee6d5d3b32e83 [0,1,0,0,0,0|3,0,0]=4 247 B20R3.16119 C[C@H](Nc1nc2ccccc2o1)C3CCCCC3 6613b7cc50ad82b1a8a60db49ff5df03 [0,1,0,0,0,0|2,1,0]=4 248 B20R3.16119 C[C@H](Nc1nc2ccccc2s1)C3CCOCC3 1fb4501bb64614e38b48f41ead4ed457 [0,1,0,0,0,0|3,0,0]=4 249 B20R3.16119 O=C(Nc1nc2ccccc2s1)C3CCCCO3 199273beb3d1852a8b95df77f7b8158b [0,1,0,0,0,0|3,0,0]=4 250 B20R3.16119 O=C(Nc1nc2ccccc2s1)[C@@H]3CCCCO3 7434585dbcf5965e5611947bb6628ef7 [0,1,0,0,0,0|3,0,0]=4 251 B20R3.16119 O=C(Nc1nc2ccccc2s1)[C@H]3CCCCO3 237803c55f7bf0ab13f7b3ece33720dc [0,1,0,0,0,0|3,0,0]=4 252 B20R3.91525 CC1CC(CCO1)NCc2cc3ccccc3s2 3d5d25dc8fb8c7c51fb3d43ab3e7fb03 [0,1,0,0,0,0|3,0,0]=4 253 B20R3.91525 CC1CC(CCO1)NCc2nc3ccccc3[nH]2 2a519b458635868727f5a115d8e2f76a [0,1,0,0,0,0|3,0,0]=4 254 B20R3.91525 CC1CC(CCO1)NCc2nc3ccccc3o2 4538bb9609bec76473d993324528dea7 [0,1,0,0,0,0|2,1,0]=4 255 B20R3.91525 CC1CC(CCO1)NCc2nc3ccccc3s2 4605d726ec3bd822c1df7dc1fecf6bbf [0,1,0,0,0,0|2,0,0]=3 256 B20R3.91525 CC1CC(CCO1)OCc2nc3ccccc3s2 f1921fd405ef13dff08424942e99a10e [0,1,0,0,0,0|3,0,0]=4 257 B20R3.91525 CC1CCCC(C1)CNc2cc3ccccc3s2 ab892a27e6fe80e8d2c9cbe7075e71e8 [0,1,0,0,0,0|3,0,0]=4 258 B20R3.91525 CC1CCCC(C1)CNc2nc3ccccc3o2 1e039e9424284f61b9324395706e1dfe [0,1,0,0,0,0|2,1,0]=4 259 B20R3.91525 CC1CCCC(C1)CNc2nc3ccccc3s2 deceacc309040238940bdd02186a70a6 [0,1,0,0,0,0|2,0,0]=3 260 B20R3.91525 CC1CCCC(C1)CNc2nc3ncccc3s2 f69e226e9b1a62cdda884be5f2f38480 [0,1,0,0,0,0|3,0,0]=4 261 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3s2 88c93c07e1e671c7f72f4644581498b8 [0,1,0,0,0,0|2,0,0]=3 262 B20R3.91525 CC1CCCC(C1)NCc2cn3ccccc3n2 e76642c08d195c42b06c80aac839bb4b [0,1,0,0,0,0|3,0,0]=4 263 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3[nH]2 e35bf704f2ea09d3e48ef8b43b82e660 [0,1,0,0,0,0|2,0,0]=3 264 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3o2 f0c1c09ea63c829a9a632a9ea4d72ad4 [0,1,0,0,0,0|1,1,0]=3 265 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3s2 6de770f17472f3b98e70da24a117e86e [0,1,0,0,0,0|1,0,0]=2 266 B20R3.91525 CC1CCCC(C1)NCc2nc3cccnc3[nH]2 b6fea48157c975f210782f12abcea8f5 [0,1,0,0,0,0|3,0,0]=4 267 B20R3.91525 CC1CCCC(C1)NCc2nc3ncccc3o2 428c4b990f24e78cecb8560015fc8ab2 [0,1,0,0,0,0|2,1,0]=4 268 B20R3.91525 CC1CCCC(C1)OCc2cc3ccccc3s2 f5a994a416b4d163367ec57c9a7ad2aa [0,1,0,0,0,0|3,0,0]=4 269 B20R3.91525 CC1CCCC(C1)OCc2nc3ccccc3[nH]2 e19d26096961bac0ccbff2d7908092c9 [0,1,0,0,0,0|3,0,0]=4 270 B20R3.91525 CC1CCCC(C1)OCc2nc3ccccc3o2 28338f13fac5b59dceb4a3185852d6e6 [0,1,0,0,0,0|2,1,0]=4 271 B20R3.91525 CC1CCCC(C1)OCc2nc3ccccc3s2 e56ddb7f1f275d8fa24d1c3b93309aa9 [0,1,0,0,0,0|2,0,0]=3 272 B20R3.91525 CC1CCCN(C1)CSc2nc3ccccc3s2 7c8d8de1bbc84b33aa420b9f802e882e [0,1,0,0,0,0|2,0,0]=3 273 B20R3.91525 CC1CN(CCO1)CSc2nc3ccccc3s2 3f38cd8a58dc3d593e8f5af10bfb5ba7 [0,1,0,0,0,0|3,0,0]=4 274 B20R3.91525 CN1CCCC(C1)NCc2cc3ccccc3s2 300cfdeeb3788c5637a5a0bf2a8c5c83 [0,1,0,0,0,0|3,0,0]=4 275 B20R3.91525 CN1CCCC(C1)NCc2nc3ccccc3[nH]2 8fe64908e56be16a0de03448e7777be6 [0,1,0,0,0,0|3,0,0]=4 276 B20R3.91525 CN1CCCC(C1)NCc2nc3ccccc3o2 a6a2bd8d3dd147ad5635e1e0758dda87 [0,1,0,0,0,0|2,1,0]=4 277 B20R3.91525 CN1CCCC(C1)NCc2nc3ccccc3s2 5b051f3f5519e3e49a15ad2a24364f64 [0,1,0,0,0,0|2,0,0]=3 278 B20R3.91525 CN1CCCC(C1)OCc2nc3ccccc3s2 506e8831e7a03e75f4d0de8ea4bb697c [0,1,0,0,0,0|3,0,0]=4 279 B20R3.91525 CN1CCC[C@@H](C1)NCc2cc3ccccc3s2 7a59540539416c853405cf037e14b33f [0,1,0,0,0,0|3,0,0]=4 280 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 dc984c051b7a905c9d5c7f07532fedc5 [0,1,0,0,0,0|3,0,0]=4 281 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3o2 af5e10d29ace56aa3bd4901afbd2a32a [0,1,0,0,0,0|2,1,0]=4 282 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3s2 090e16361d221b768be35a1df3431778 [0,1,0,0,0,0|2,0,0]=3 283 B20R3.91525 CN1CCC[C@@H](C1)OCc2nc3ccccc3s2 6f9bd9896791f8516d742b3284d3536c [0,1,0,0,0,0|3,0,0]=4 284 B20R3.91525 CN1CCC[C@H](C1)NCc2cc3ccccc3s2 ea72d07a12e1233ff81ecdc51c85063f [0,1,0,0,0,0|3,0,0]=4 285 B20R3.91525 CN1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 2890c9d411f64bd29c9ff8fd8e190708 [0,1,0,0,0,0|3,0,0]=4 286 B20R3.91525 CN1CCC[C@H](C1)NCc2nc3ccccc3o2 d76a99de8c1c67f6ece5274ea7d5c560 [0,1,0,0,0,0|2,1,0]=4 287 B20R3.91525 CN1CCC[C@H](C1)NCc2nc3ccccc3s2 63fd0fa27972ae9ea71a6be44f0ddf4a [0,1,0,0,0,0|2,0,0]=3 288 B20R3.91525 CN1CCC[C@H](C1)OCc2nc3ccccc3s2 501eb8ecdb75a4ac5b44113e67de9b40 [0,1,0,0,0,0|3,0,0]=4 289 B20R3.91525 C[C@@H]1CCCN(C1)CSc2nc3ccccc3s2 91fcb0ad6efc14b9d5cdff84e5edce69 [0,1,0,0,0,0|2,0,0]=3 290 B20R3.91525 C[C@@H]1CCC[C@@H](C1)OCc2cc3ccccc3s2 572a4a49eed8656f4054dc0bb10e991b [0,1,0,0,0,0|3,0,0]=4 291 B20R3.91525 C[C@@H]1CCC[C@@H](C1)OCc2nc3ccccc3[nH]2 b22a47b10c7a68dd49e00b7d3396a036 [0,1,0,0,0,0|3,0,0]=4 292 B20R3.91525 C[C@@H]1CCC[C@@H](C1)OCc2nc3ccccc3o2 4fdb4ffe8f6aeb15ce39a149b0239f59 [0,1,0,0,0,0|2,1,0]=4 293 B20R3.91525 C[C@@H]1CCC[C@@H](C1)OCc2nc3ccccc3s2 86fe101b1d4ad45dcdef6a63cc9af20a [0,1,0,0,0,0|2,0,0]=3 294 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2cc3ccccc3s2 68622e3a721100d7ef829dc8515c358e [0,1,0,0,0,0|2,0,0]=3 295 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2cn3ccccc3n2 67e056ac0cfdb90a241721b31b7f4010 [0,1,0,0,0,0|3,0,0]=4 296 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 031f079abe08ed9c3ccdfe9c16a29b3e [0,1,0,0,0,0|2,0,0]=3 297 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 99ef2aab37cdf3a0d66aee5fdeea1988 [0,1,0,0,0,0|1,1,0]=3 298 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 8f3a43eeb24709b6b120781174dba063 [0,1,0,0,0,0|1,0,0]=2 299 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2nc3cccnc3[nH]2 c1f5602a970b5b733644215f34dd6396 [0,1,0,0,0,0|3,0,0]=4 300 B20R3.91525 C[C@@H]1CCC[C@H](C1)NCc2nc3ncccc3o2 e8a8a26c24466da36fda774c062e3716 [0,1,0,0,0,0|2,1,0]=4 301 B20R3.91525 C[C@@H]1CN(CCO1)CSc2nc3ccccc3s2 c6b4b3986fcc2b5e3e0b68fb4dde813d [0,1,0,0,0,0|3,0,0]=4 302 B20R3.91525 C[C@@H]1C[C@@H](CCO1)NCc2cc3ccccc3s2 0efd8d576aebbe974ceb03cca22a1111 [0,1,0,0,0,0|3,0,0]=4 303 B20R3.91525 C[C@@H]1C[C@@H](CCO1)NCc2nc3ccccc3[nH]2 e6d76f900180ff4fa9a1e898c90c1ef5 [0,1,0,0,0,0|3,0,0]=4 304 B20R3.91525 C[C@@H]1C[C@@H](CCO1)NCc2nc3ccccc3o2 07b14eec2d78982bc549171df1753f21 [0,1,0,0,0,0|2,1,0]=4 305 B20R3.91525 C[C@@H]1C[C@@H](CCO1)NCc2nc3ccccc3s2 e082f9654bc53bb3a155787ba1d6124b [0,1,0,0,0,0|2,0,0]=3 306 B20R3.91525 C[C@@H]1C[C@@H](CCO1)OCc2nc3ccccc3s2 2280693b417773d6f167d57d619c00b3 [0,1,0,0,0,0|3,0,0]=4 307 B20R3.91525 C[C@@H]1C[C@H](CCO1)NCc2cc3ccccc3s2 e97c88a8d0a2b84b0bf587d314df0368 [0,1,0,0,0,0|3,0,0]=4 308 B20R3.91525 C[C@@H]1C[C@H](CCO1)NCc2nc3ccccc3[nH]2 888b74bbb201d9aef6780619bbaa1497 [0,1,0,0,0,0|3,0,0]=4 309 B20R3.91525 C[C@@H]1C[C@H](CCO1)NCc2nc3ccccc3o2 76aadef5d95f3038dcaa6c3ede5a1ba0 [0,1,0,0,0,0|2,1,0]=4 310 B20R3.91525 C[C@@H]1C[C@H](CCO1)NCc2nc3ccccc3s2 e20657c0407fba62cef6e2b66be35a69 [0,1,0,0,0,0|2,0,0]=3 311 B20R3.91525 C[C@@H]1C[C@H](CCO1)OCc2nc3ccccc3s2 1175287904e0fbb6065df4cbb0cc7eff [0,1,0,0,0,0|3,0,0]=4 312 B20R3.91525 C[C@H]1CCCN(C1)CSc2nc3ccccc3s2 1958ff4295da7c6b9109203eb4395d7c [0,1,0,0,0,0|2,0,0]=3 313 B20R3.91525 C[C@H]1CCC[C@@H](C1)OCc2cc3ccccc3s2 f51bad5c40dc1dc5f115d9b051eda43b [0,1,0,0,0,0|3,0,0]=4 314 B20R3.91525 C[C@H]1CCC[C@@H](C1)OCc2nc3ccccc3[nH]2 a9a0859cc27dd7a30deeff4d5e1a2ec4 [0,1,0,0,0,0|3,0,0]=4 315 B20R3.91525 C[C@H]1CCC[C@@H](C1)OCc2nc3ccccc3o2 061506e2746ec89cda12aa3ed003f988 [0,1,0,0,0,0|2,1,0]=4 316 B20R3.91525 C[C@H]1CCC[C@@H](C1)OCc2nc3ccccc3s2 b9689af8375af73aa010b6444d80caf9 [0,1,0,0,0,0|2,0,0]=3 317 B20R3.91525 C[C@H]1CCC[C@H](C1)OCc2cc3ccccc3s2 ff8df345728fc8ceda8aa4423bfed006 [0,1,0,0,0,0|3,0,0]=4 318 B20R3.91525 C[C@H]1CCC[C@H](C1)OCc2nc3ccccc3[nH]2 b46efe8c3ce7bac6b15b30de0b816675 [0,1,0,0,0,0|3,0,0]=4 319 B20R3.91525 C[C@H]1CCC[C@H](C1)OCc2nc3ccccc3o2 97440c31646858d250eb5cfa444b96d7 [0,1,0,0,0,0|2,1,0]=4 320 B20R3.91525 C[C@H]1CCC[C@H](C1)OCc2nc3ccccc3s2 cc922b9881f24326eb845c0675b7ebea [0,1,0,0,0,0|2,0,0]=3 321 B20R3.91525 C[C@H]1CN(CCO1)CSc2nc3ccccc3s2 6ac9163bbc4b16293d050ba146e54e65 [0,1,0,0,0,0|3,0,0]=4 322 B20R3.91525 C[C@H]1C[C@@H](CCO1)NCc2cc3ccccc3s2 40a4a767ef30d54a456ab5009e1f6a96 [0,1,0,0,0,0|3,0,0]=4 323 B20R3.91525 C[C@H]1C[C@@H](CCO1)NCc2nc3ccccc3[nH]2 eec6a72e7120efc6f03cb22ca8bf1808 [0,1,0,0,0,0|3,0,0]=4 324 B20R3.91525 C[C@H]1C[C@@H](CCO1)NCc2nc3ccccc3o2 a0ef452fe6e3d39e72f97916750e7781 [0,1,0,0,0,0|2,1,0]=4 325 B20R3.91525 C[C@H]1C[C@@H](CCO1)NCc2nc3ccccc3s2 4676a8ef9e5d95bec23f6b240c597998 [0,1,0,0,0,0|2,0,0]=3 326 B20R3.91525 C[C@H]1C[C@@H](CCO1)OCc2nc3ccccc3s2 2babe307bf95dc44709e9467159cd980 [0,1,0,0,0,0|3,0,0]=4 327 B20R3.91525 C[C@H]1C[C@H](CCO1)NCc2cc3ccccc3s2 6dfa4425534a1e67c347291149e0c544 [0,1,0,0,0,0|3,0,0]=4 328 B20R3.91525 C[C@H]1C[C@H](CCO1)NCc2nc3ccccc3[nH]2 12672f83b6647a07e413554ada25743b [0,1,0,0,0,0|3,0,0]=4 329 B20R3.91525 C[C@H]1C[C@H](CCO1)NCc2nc3ccccc3o2 fa716d60f7d9e94d77cf8ce2c0b5184a [0,1,0,0,0,0|2,1,0]=4 330 B20R3.91525 C[C@H]1C[C@H](CCO1)NCc2nc3ccccc3s2 c1b8daba236f9511d020c3164ec58785 [0,1,0,0,0,0|2,0,0]=3 331 B20R3.91525 C[C@H]1C[C@H](CCO1)OCc2nc3ccccc3s2 ab0da8dd5dd82d7a67848041c9759b4e [0,1,0,0,0,0|3,0,0]=4 332 B20R3.91525 O=C1CC(CCN1)NCc2nc3ccccc3s2 e118a9ed15f3be3efd7745e7e468c191 [0,1,0,0,0,0|2,0,1]=4 333 B20R3.91525 O=C1CCCC(C1)NCc2cc3ccccc3s2 aefe1deb6622582984bbce92a74125ef [0,1,0,0,0,0|2,0,1]=4 334 B20R3.91525 O=C1CCCC(C1)NCc2nc3ccccc3[nH]2 2445638cce0c55658354b0387f229dca [0,1,0,0,0,0|2,0,1]=4 335 B20R3.91525 O=C1CCCC(C1)NCc2nc3ccccc3o2 0dc49f37a47b0c99bc6383082e3d9125 [0,1,0,0,0,0|1,1,1]=4 336 B20R3.91525 O=C1CCCC(C1)NCc2nc3ccccc3s2 bc336a14d6237ebec45f20c9f5b0dff8 [0,1,0,0,0,0|1,0,1]=3 337 B20R3.91525 O=C1CCCN(C1)CSc2nc3ccccc3s2 19b19875a76ccb4a56e1b00462ef2ad8 [0,1,0,0,0,0|2,0,1]=4 338 B20R3.91525 O=C1C[C@@H](CCN1)NCc2nc3ccccc3s2 9c9814516744a6371cc7221a5836e94b [0,1,0,0,0,0|2,0,1]=4 339 B20R3.91525 O=C1C[C@H](CCN1)NCc2nc3ccccc3s2 371c93a4983a7ffa8491eb3c7357a8fb [0,1,0,0,0,0|2,0,1]=4 340 B20R3.91525 OC1CCCC(C1)CNc2nc3ncccc3s2 d0eff4879d9b29a487fe8d093a97f781 [0,1,0,0,0,0|3,0,0]=4 341 B20R3.91525 OC1CCCC(C1)NCc2cn3ccccc3n2 2f13ca7aa674b68a0e927a9c1ebacaea [0,1,0,0,0,0|3,0,0]=4 342 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3[nH]2 87e79fd916aa71e6136b115f18b9ee68 [0,1,0,0,0,0|2,0,0]=3 343 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3o2 f89f8f9afba8cac5daa5e6287ef52d68 [0,1,0,0,0,0|1,1,0]=3 344 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3s2 5a0da5e4a146747f74d64fd3922f2095 [0,1,0,0,0,0|1,0,0]=2 345 B20R3.91525 OC1CCCC(C1)NCc2nc3cccnc3[nH]2 50ce0732ce89c9475898ef6a5f608d07 [0,1,0,0,0,0|3,0,0]=4 346 B20R3.91525 OC1CCCC(C1)NCc2nc3ncccc3o2 e77fcd7cfca727dbc86086538a505289 [0,1,0,0,0,0|2,1,0]=4 347 B20R3.91525 OC1COCC(C1)NCc2cc3ccccc3s2 f75560f1e6fcc4e9d5a2a5f5f3ea24cd [0,1,0,0,0,0|3,0,0]=4 348 B20R3.91525 OC1COCC(C1)NCc2nc3ccccc3[nH]2 74646fcf4156b132032fa4c0bf481c45 [0,1,0,0,0,0|3,0,0]=4 349 B20R3.91525 OC1COCC(C1)NCc2nc3ccccc3o2 a886611476bd0239eb3a9e49817664c3 [0,1,0,0,0,0|2,1,0]=4 350 B20R3.91525 OC1COCC(C1)NCc2nc3ccccc3s2 b4049544f483a51d2390453d047efeb1 [0,1,0,0,0,0|2,0,0]=3 351 B20R3.91525 O[C@@H]1CCC[C@@H](C1)CNc2nc3ncccc3s2 4be25a047d98aa95c6e5dbca60d54256 [0,1,0,0,0,0|3,0,0]=4 352 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2cn3ccccc3n2 a07bb8a82477dee05006a0491754b281 [0,1,0,0,0,0|3,0,0]=4 353 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 99506477a8b9b6f35079517ab3d23c7c [0,1,0,0,0,0|2,0,0]=3 354 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 c89e64a4278d9742d7d5a773e99c5842 [0,1,0,0,0,0|1,1,0]=3 355 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 60bc531cf1e3fdb22e3d3f56f55d48ed [0,1,0,0,0,0|1,0,0]=2 356 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3cccnc3[nH]2 f8a1b13ce7e876059be5790683e75625 [0,1,0,0,0,0|3,0,0]=4 357 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3ncccc3o2 91180f489c8a20d1fd5a48fc1cf5930f [0,1,0,0,0,0|2,1,0]=4 358 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2cn3ccccc3n2 3c645bc4bcf3c1a3f186066c2bb56dbf [0,1,0,0,0,0|3,0,0]=4 359 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 3fb23add2909c78ba6e1f2b969c2dd26 [0,1,0,0,0,0|2,0,0]=3 360 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 ca887fb6cb4ae3bd23e6592402706cbe [0,1,0,0,0,0|1,1,0]=3 361 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 5ca5fb0493f6deec3c204e43181cd97a [0,1,0,0,0,0|1,0,0]=2 362 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3cccnc3[nH]2 f15a16d89d8142364ec9a6a341f7d5f6 [0,1,0,0,0,0|3,0,0]=4 363 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3ncccc3o2 38b981870dbe4dd3cbbcbda41734f58d [0,1,0,0,0,0|2,1,0]=4 364 B20R3.91525 O[C@@H]1COC[C@@H](C1)NCc2cc3ccccc3s2 3424a3dde8959324f1e95f68f1852128 [0,1,0,0,0,0|3,0,0]=4 365 B20R3.91525 O[C@@H]1COC[C@@H](C1)NCc2nc3ccccc3[nH]2 34c093e03a4a83f12f5f5968416d56f6 [0,1,0,0,0,0|3,0,0]=4 366 B20R3.91525 O[C@@H]1COC[C@@H](C1)NCc2nc3ccccc3o2 ab72d546ab58138e29e9185f901f1a05 [0,1,0,0,0,0|2,1,0]=4 367 B20R3.91525 O[C@@H]1COC[C@@H](C1)NCc2nc3ccccc3s2 4fdde8236e22b0cf52a711a654246352 [0,1,0,0,0,0|2,0,0]=3 368 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2cn3ccccc3n2 badfc21b81c584200e4ec041eaa2337b [0,1,0,0,0,0|3,0,0]=4 369 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 6162df9104ecd06695b43aa3e9efa849 [0,1,0,0,0,0|2,0,0]=3 370 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 c382575baa4ae971143459b240969faf [0,1,0,0,0,0|1,1,0]=3 371 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 817f0002d04d28113a58a40647f343ec [0,1,0,0,0,0|1,0,0]=2 372 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3cccnc3[nH]2 7880944f9cf2216aa889c06738579cf7 [0,1,0,0,0,0|3,0,0]=4 373 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3ncccc3o2 153267e46c94fb8646ed0cea1d43a8cc [0,1,0,0,0,0|2,1,0]=4 374 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2cn3ccccc3n2 b21c1145cdbaf6da0658b2fd148e4ed2 [0,1,0,0,0,0|3,0,0]=4 375 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 bd48ac537ae1a8bd70cffa7e286a2904 [0,1,0,0,0,0|2,0,0]=3 376 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 17a7090dea5045317e5cfcf1e32c1856 [0,1,0,0,0,0|1,1,0]=3 377 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 ef1fd807c70a523b28c20e5c5ca88856 [0,1,0,0,0,0|1,0,0]=2 378 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3cccnc3[nH]2 7b6fb8361ef5f4a8c50568394369a3f3 [0,1,0,0,0,0|3,0,0]=4 379 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3ncccc3o2 67410952b1a7b81fad889e08d2cdb58f [0,1,0,0,0,0|2,1,0]=4 380 B20R3.91525 O[C@H]1COC[C@H](C1)NCc2cc3ccccc3s2 4340b131654aeada3bd4c35d520f4855 [0,1,0,0,0,0|3,0,0]=4 381 B20R3.91525 O[C@H]1COC[C@H](C1)NCc2nc3ccccc3[nH]2 1bff6b1c682b1f9a5e9a66c67f79393b [0,1,0,0,0,0|3,0,0]=4 382 B20R3.91525 O[C@H]1COC[C@H](C1)NCc2nc3ccccc3o2 1b3d6a81d82d043a7efccc4592f7a47e [0,1,0,0,0,0|2,1,0]=4 383 B20R3.91525 O[C@H]1COC[C@H](C1)NCc2nc3ccccc3s2 911d7cbaf98c3b5d9063aafbbb18ee61 [0,1,0,0,0,0|2,0,0]=3 384 B20R3.94169 Brc1ccc2[nH]c(cc2c1)CNC3CCCCC3 d7f64f8fa8170be0683f20f2829c6bdf [0,1,0,0,0,0|2,0,1]=4 385 B20R3.94169 Brc1ccc2[nH]c(nc2c1)COC3CCCCC3 bb8e95c511637b3e6f45b1a2c3e91cf9 [0,1,0,0,0,0|3,0,0]=4 386 B20R3.94169 Brc1ccc2[nH]c(nc2c1)NCC3CCCCC3 acfc7308f47b1f75754baa8c1c324f91 [0,1,0,0,0,0|3,0,0]=4 387 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCOCC3 91f6c28ab0a96235b630bb6ed375a5ff [0,1,0,0,0,0|3,0,0]=4 388 B20R3.94169 Brc1ccc2cc(sc2c1)COC3CCCCC3 29650068af0f71ad3ed3052d03996400 [0,1,0,0,0,0|3,0,0]=4 389 B20R3.94169 Brc1ccc2cc(sc2c1)NCC3CCCCC3 77b62af45d9899313a1340e657107d98 [0,1,0,0,0,0|3,0,0]=4 390 B20R3.94169 Brc1ccc2nc(oc2c1)COC3CCCCC3 f5a9ea5b8b4d2e7fb8f32fdb4ec7197c [0,1,0,0,0,0|2,1,0]=4 391 B20R3.94169 Brc1ccc2nc(oc2c1)NCC3CCCCC3 7a40a0c6ab999c3b4a6c8ca713290ac1 [0,1,0,0,0,0|2,1,0]=4 392 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3C=CCCC3 d3675297dc0a89381192f91b69a37f4d [0,1,0,0,0,0|1,0,2]=4 393 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3CCCCC3 7df04e09dae47dde408d3ee9e6ec9fe3 [0,1,0,0,0,0|1,0,0]=2 394 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3CCCCO3 f64d55bf1d82065c52fd7f76538c79fd [0,1,0,0,0,0|2,0,0]=3 395 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3CCCOC3 242c646de3382c7c22e20d44444d4f01 [0,1,0,0,0,0|2,0,0]=3 396 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3CCOCC3 3ab05fc2376354eaaddba563aafc3245 [0,1,0,0,0,0|2,0,0]=3 397 B20R3.94169 Brc1ccc2nc(sc2c1)CNC3CCSCC3 a29ca9499f24c2fdbea470ad4cf755d5 [0,1,0,0,0,0|2,0,0]=3 398 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCCCC3 80be5506fe915c63a6cd3a359f05f1c4 [0,1,0,0,0,0|2,0,0]=3 399 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCCCO3 7b4d03e9dd7c8e698fd1abfbd7696ba3 [0,1,0,0,0,0|3,0,0]=4 400 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCCOC3 40408d9b72be3f98429ddba81fad6b46 [0,1,0,0,0,0|3,0,0]=4 401 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCOCC3 89bde64683fafee8206294601d1a1c5e [0,1,0,0,0,0|3,0,0]=4 402 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCSCC3 babf0b32af893f50ea84d7a7649befe4 [0,1,0,0,0,0|3,0,0]=4 403 B20R3.94169 Brc1ccc2nc(sc2n1)NCC3CCCCC3 285911523e5eee6e37079c9168ae9c43 [0,1,0,0,0,0|3,0,0]=4 404 B20R3.94169 Brc1ccc2oc(cc2c1)CNC3CCCCC3 29ae420f3f5fa6465e0553fe2d04303f [0,1,0,0,0,0|2,1,0]=4 405 B20R3.94169 Brc1ccc2oc(nc2c1)COC3CCCCC3 34eb3bc1bf61f8480fa591d9494b0da1 [0,1,0,0,0,0|2,1,0]=4 406 B20R3.94169 Brc1ccc2oc(nc2c1)NCC3CCCCC3 0c4c2418a4e72c8eda6a8d68b24b73e0 [0,1,0,0,0,0|2,1,0]=4 407 B20R3.94169 Brc1ccc2sc(cc2c1)COC3CCCCC3 65dbdf173b39663f3a295f99067c81be [0,1,0,0,0,0|3,0,0]=4 408 B20R3.94169 Brc1ccc2sc(cc2c1)NCC3CCCCC3 326d306850c3f637d3a2bbb8489f47d0 [0,1,0,0,0,0|3,0,0]=4 409 B20R3.94169 Brc1ccc2sc(nc2c1)COC3CCOCC3 78fe50958bc0dd68383e4d546e09c64e [0,1,0,0,0,0|3,0,0]=4 410 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCCCC3 0570c020851118f92e9ea52de8b474e0 [0,1,0,0,0,0|2,0,0]=3 411 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCCCO3 c94494226b85bf22aec0e18d151fdf73 [0,1,0,0,0,0|3,0,0]=4 412 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCCOC3 2ad38d811264569b9fa1cf2cad95c96e [0,1,0,0,0,0|3,0,0]=4 413 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCOCC3 3c6f7be9996cff7b010adcbe45478619 [0,1,0,0,0,0|3,0,0]=4 414 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCSCC3 5fb1c74708c7d3632702399c06644e48 [0,1,0,0,0,0|3,0,0]=4 415 B20R3.94169 Brc1cnc2nc(sc2c1)NCC3CCCCC3 2a520ac2894522eb2f206621b114ac56 [0,1,0,0,0,0|3,0,0]=4 416 B20R3.94169 Brc1cnc2sc(nc2c1)NCC3CCCCC3 53d2edbe6a59d9b97aaa10cc071adc04 [0,1,0,0,0,0|3,0,0]=4 417 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCCC3 1f250804ddabf20672921bf0608dfec1 [0,1,0,0,0,0|2,0,0]=3 418 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCCO3 44451b81011823c412975f8c326fd53e [0,1,0,0,0,0|3,0,0]=4 419 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCOC3 ff2ae40c4006b557de457b58d7825c04 [0,1,0,0,0,0|3,0,0]=4 420 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCOCC3 0cc2fdedc6e5d50d3ff21f36eb7af8cb [0,1,0,0,0,0|3,0,0]=4 421 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCSCC3 f148807f3aa2395a0dc43de148e9dafc [0,1,0,0,0,0|3,0,0]=4 422 B20R3.94169 Cc1ccc2[nH]c(nc2c1)NCC3CCCCC3 b6e5fe2a49020bb9b2d765b2dfe05332 [0,1,0,0,0,0|3,0,0]=4 423 B20R3.94169 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCOC3 4e4c49e1fcb21e6d9bda3199600f2507 [0,1,0,0,0,0|3,0,0]=4 424 B20R3.94169 Cc1ccc2nc([nH]c2c1)CN[C@H]3CCCOC3 cf766fd04b3a3456532f61c72c13175c [0,1,0,0,0,0|3,0,0]=4 425 B20R3.94169 Cc1ccc2nc([nH]c2c1)COC3CCCCC3 7035675be9348db50a434ddf7de91420 [0,1,0,0,0,0|3,0,0]=4 426 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCOCC3 9e657d8e0bd55729b30e7680422b6a6d [0,1,0,0,0,0|2,1,0]=4 427 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCSCC3 d47df7ea91f3768d98dc78ad806ac3f3 [0,1,0,0,0,0|2,1,0]=4 428 B20R3.94169 Cc1ccc2nc(oc2c1)COC3CCCCC3 ed907b5a91e2f0329bfdca6f1ec53c1a [0,1,0,0,0,0|2,1,0]=4 429 B20R3.94169 Cc1ccc2nc(oc2c1)NCC3CCCCC3 41cc1d080a519d8c7eaeb0843cee02f3 [0,1,0,0,0,0|2,1,0]=4 430 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCCC3 1d756e408ea6f757032d1a02218d0a89 [0,1,0,0,0,0|2,0,0]=3 431 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCCO3 9b7ca274dc1791bf8334e8c576817e79 [0,1,0,0,0,0|3,0,0]=4 432 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCOC3 36814cb1bb4bd94d31a062e016d6f0e3 [0,1,0,0,0,0|3,0,0]=4 433 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCOCC3 f01aaec776e62d4551cd38c4ebd6a6a0 [0,1,0,0,0,0|3,0,0]=4 434 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCSCC3 c7a89480f52e521b8ecff25d7ed7cf00 [0,1,0,0,0,0|3,0,0]=4 435 B20R3.94169 Cc1ccc2nc(sc2c1)OCC3CCCCC3 79796dfc127cd0ab9eaef977f7d01aa5 [0,1,0,0,0,0|1,1,0]=3 436 B20R3.94169 Cc1ccc2nc(sc2c1)OCC3CCCCO3 252ba9d84ac2772299e4fcc153f63a01 [0,1,0,0,0,0|2,1,0]=4 437 B20R3.94169 Cc1ccc2nc(sc2c1)OCC3CCCOC3 145469fb0618f5a6fd4d5a688d3611e5 [0,1,0,0,0,0|2,1,0]=4 438 B20R3.94169 Cc1ccc2nc(sc2c1)OCC3CCOCC3 aa49d47a24f853de604b016eb5fd3c0a [0,1,0,0,0,0|2,1,0]=4 439 B20R3.94169 Cc1ccc2nc(sc2c1)OCC3CCSCC3 62432c9627c3d5644b8788115288a3bb [0,1,0,0,0,0|2,1,0]=4 440 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCOCC3 3d20adf479bcaf8e56642965b7ae82f3 [0,1,0,0,0,0|2,1,0]=4 441 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCSCC3 6da5f882b9e6ed743c24db0293b0f139 [0,1,0,0,0,0|2,1,0]=4 442 B20R3.94169 Cc1ccc2oc(nc2c1)COC3CCCCC3 5d349341a994efbda8bd80fd7462c67d [0,1,0,0,0,0|2,1,0]=4 443 B20R3.94169 Cc1ccc2oc(nc2c1)NCC3CCCCC3 69b8e10f74246c9b540dcde272a97b3f [0,1,0,0,0,0|2,1,0]=4 444 B20R3.94169 Cc1ccc2sc(cc2c1)COC3CCCCC3 a7ea0f51a48aaf7e6e73d4607b7e554c [0,1,0,0,0,0|3,0,0]=4 445 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCCCC3 4cab3a26fb2a4dcd5f9a6db59d01fbc5 [0,1,0,0,0,0|2,0,0]=3 446 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCCCO3 3d9fabbc08fd99c34daf1a5af848b4bf [0,1,0,0,0,0|3,0,0]=4 447 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCCOC3 92de3a342ca72b9f1e966c09d7407fbc [0,1,0,0,0,0|3,0,0]=4 448 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCOCC3 5b51a45a598a7c188c33669d0a11e93e [0,1,0,0,0,0|3,0,0]=4 449 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCSCC3 56c6a27a0a387e55038a3e1f6f51bf86 [0,1,0,0,0,0|3,0,0]=4 450 B20R3.94169 Cc1cnc2nc(sc2c1)NCC3CCCCC3 e39fff4da97f7c81bff8f9f29b85c7e6 [0,1,0,0,0,0|3,0,0]=4 451 B20R3.94169 Clc1cc2nc(sc2cn1)NCC3CCCCC3 4efbfbeb9adfc6597d8918e18f4aac7d [0,1,0,0,0,0|3,0,0]=4 452 B20R3.94169 Clc1cc2sc(nc2cn1)NCC3CCCCC3 606749c472b098e5622b33ab09f745e1 [0,1,0,0,0,0|3,0,0]=4 453 B20R3.94169 Clc1ccc2[nH]c(cc2c1)CNC3CCCCC3 7567c321be2089b442291a0768c75427 [0,1,0,0,0,0|2,0,1]=4 454 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CN[C@@H]3CCCOC3 7b7658c36667b77a33afd577e844fdb1 [0,1,0,0,0,0|3,0,0]=4 455 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CN[C@H]3CCCOC3 b8e7c5dd35aea79c638c36dc6c39166a [0,1,0,0,0,0|3,0,0]=4 456 B20R3.94169 Clc1ccc2[nH]c(nc2c1)COC3CCCCC3 da74f3ece5d236aa400328b5afc0fd5e [0,1,0,0,0,0|3,0,0]=4 457 B20R3.94169 Clc1ccc2[nH]c(nc2c1)NCC3CCCCC3 cb4b9e3c7ec828616e28696f37cc5f52 [0,1,0,0,0,0|3,0,0]=4 458 B20R3.94169 Clc1ccc2[nH]c(nc2c1)OCC3CCCCC3 5353ca5c5d148455924362fcf274f800 [0,1,0,0,0,0|2,1,0]=4 459 B20R3.94169 Clc1ccc2cc(sc2c1)COC3CCCCC3 8fba9fe1527914c409cd44b26299be8b [0,1,0,0,0,0|3,0,0]=4 460 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCCCC3 7cbc3ed2ea8ac4bcec0154ede4fd747f [0,1,0,0,0,0|2,0,0]=3 461 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCCCO3 7a86375256cf4902473d7f708a85adbb [0,1,0,0,0,0|3,0,0]=4 462 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCCOC3 1f8317f9f91817f9cf574503a33d3bf4 [0,1,0,0,0,0|3,0,0]=4 463 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCOCC3 18a97ffa62230b1af9e22c1c50b07bf7 [0,1,0,0,0,0|3,0,0]=4 464 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCSCC3 635c185b0656017f80054b1a325b884a [0,1,0,0,0,0|3,0,0]=4 465 B20R3.94169 Clc1ccc2nc(oc2c1)CNC3CCCCC3 e6032765bcd55af9f9735fc014fae251 [0,1,0,0,0,0|1,1,0]=3 466 B20R3.94169 Clc1ccc2nc(oc2c1)CNC3CCCCO3 0db7ea84ed63d777139dc98c935d6d44 [0,1,0,0,0,0|2,1,0]=4 467 B20R3.94169 Clc1ccc2nc(oc2c1)CNC3CCCOC3 6d8722cda652ea3f5a300290103b59db [0,1,0,0,0,0|2,1,0]=4 468 B20R3.94169 Clc1ccc2nc(oc2c1)CNC3CCOCC3 0e489f9a595329ca31a4bd1c45252688 [0,1,0,0,0,0|2,1,0]=4 469 B20R3.94169 Clc1ccc2nc(oc2c1)CNC3CCSCC3 c35467520b323e460383789c6df0a69f [0,1,0,0,0,0|2,1,0]=4 470 B20R3.94169 Clc1ccc2nc(oc2c1)COC3CCCCC3 8557a147e0db00326a785262d66cbf0d [0,1,0,0,0,0|2,1,0]=4 471 B20R3.94169 Clc1ccc2nc(oc2c1)NCC3CCCCC3 541da6732e9af4068d2bfcd0471e2f67 [0,1,0,0,0,0|2,1,0]=4 472 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3C=CCCC3 c0c3e97bf5645fd7b539d3d92748d044 [0,1,0,0,0,0|1,0,2]=4 473 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3CCCCC3 f9ffbac03b769d56266e338343f82159 [0,1,0,0,0,0|1,0,0]=2 474 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3CCCCO3 3380a6751ca00f1f0528ac5045e425a7 [0,1,0,0,0,0|2,0,0]=3 475 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3CCCOC3 4019eaf9e1b75dbb90642f1e19f10532 [0,1,0,0,0,0|2,0,0]=3 476 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3CCOCC3 ee08aacc38f73770c473c40604187370 [0,1,0,0,0,0|2,0,0]=3 477 B20R3.94169 Clc1ccc2nc(sc2c1)CNC3CCSCC3 ce2f7476a8f82f11713a3d34124185b3 [0,1,0,0,0,0|2,0,0]=3 478 B20R3.94169 Clc1ccc2nc(sc2c1)NCC3CCCCC3 7a8f6a9815e2079a024ef77399907f22 [0,1,0,0,0,0|2,0,0]=3 479 B20R3.94169 Clc1ccc2nc(sc2c1)NCC3CCCCO3 3ef17726b892dda3a26549c8965297cb [0,1,0,0,0,0|3,0,0]=4 480 B20R3.94169 Clc1ccc2nc(sc2c1)NCC3CCCOC3 d386f964ec4eda14049eb6256426eaff [0,1,0,0,0,0|3,0,0]=4 481 B20R3.94169 Clc1ccc2nc(sc2c1)NCC3CCOCC3 1d3286bc9bbc49a8f8fd7425a61b8151 [0,1,0,0,0,0|3,0,0]=4 482 B20R3.94169 Clc1ccc2nc(sc2c1)NCC3CCSCC3 a12aee74754c4326d5d22d4d626c2cd3 [0,1,0,0,0,0|3,0,0]=4 483 B20R3.94169 Clc1ccc2nc(sc2c1)OCC3CCCCC3 3126af9bec1c886071a0656b65011acb [0,1,0,0,0,0|1,1,0]=3 484 B20R3.94169 Clc1ccc2nc(sc2c1)OCC3CCCCO3 d8b45ba87aff7d157bc6aea0d867da4d [0,1,0,0,0,0|2,1,0]=4 485 B20R3.94169 Clc1ccc2nc(sc2c1)OCC3CCCOC3 88611ae158cc6d447b54870c8ccb4ba9 [0,1,0,0,0,0|2,1,0]=4 486 B20R3.94169 Clc1ccc2nc(sc2c1)OCC3CCOCC3 6d049e4915441962916c7aed4639c5dc [0,1,0,0,0,0|2,1,0]=4 487 B20R3.94169 Clc1ccc2nc(sc2c1)OCC3CCSCC3 06a7a89f0163318dee681fcaa2bf550e [0,1,0,0,0,0|2,1,0]=4 488 B20R3.94169 Clc1ccc2nc(sc2n1)NCC3CCCCC3 6c4e92f1fd4868349cad9d57fdfb8662 [0,1,0,0,0,0|3,0,0]=4 489 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCCCC3 a14417a366a543e52daddbd730b0986d [0,1,0,0,0,0|1,1,0]=3 490 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCCCO3 7e4f60539b6b770f76455a52a831a363 [0,1,0,0,0,0|2,1,0]=4 491 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCCOC3 3df3437068c38751a40a1b6c8388f9e2 [0,1,0,0,0,0|2,1,0]=4 492 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCOCC3 f8883a48723dd98687c494dc63e3f2dd [0,1,0,0,0,0|2,1,0]=4 493 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCSCC3 12b624c0e64ecbb4cc6d5a0950205f65 [0,1,0,0,0,0|2,1,0]=4 494 B20R3.94169 Clc1ccc2oc(nc2c1)COC3CCCCC3 b25631332a9354ea7a6912d7c4fb9078 [0,1,0,0,0,0|2,1,0]=4 495 B20R3.94169 Clc1ccc2oc(nc2c1)NCC3CCCCC3 6e4f264e78cb81a0081cea1cf33c0f32 [0,1,0,0,0,0|2,1,0]=4 496 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCCOC3 d6516f0924f885ba7598839c5ae9b52b [0,1,0,0,0,0|3,0,0]=4 497 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCOCC3 d715ed596d1ed69199f77aff56ae2df4 [0,1,0,0,0,0|3,0,0]=4 498 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCSCC3 c2d8886b3479e1f001e76e9347749ec6 [0,1,0,0,0,0|3,0,0]=4 499 B20R3.94169 Clc1ccc2sc(cc2c1)CN[C@@H]3CCCOC3 12313ff2974b9502340ce6acd4ecab81 [0,1,0,0,0,0|3,0,0]=4 500 B20R3.94169 Clc1ccc2sc(cc2c1)CN[C@H]3CCCOC3 54461e4562a1a76b1c9e7a284cf5055f [0,1,0,0,0,0|3,0,0]=4 501 B20R3.94169 Clc1ccc2sc(cc2c1)COC3CCCCC3 1afc9801e8ce8659a2b0f4eed4c60ba2 [0,1,0,0,0,0|3,0,0]=4 502 B20R3.94169 Clc1ccc2sc(nc2c1)NCC3CCCCC3 3e70992c3364676c95af5b58d1284006 [0,1,0,0,0,0|2,0,0]=3 503 B20R3.94169 Clc1ccc2sc(nc2c1)NCC3CCCCO3 2905e8ac23d1f8d31d2d7dcd62ecd939 [0,1,0,0,0,0|3,0,0]=4 504 B20R3.94169 Clc1ccc2sc(nc2c1)NCC3CCCOC3 dc9cc7722869ffd192c862870a78e8a5 [0,1,0,0,0,0|3,0,0]=4 505 B20R3.94169 Clc1ccc2sc(nc2c1)NCC3CCOCC3 7bb539d0d52e09f5b31b19fbbb192d3d [0,1,0,0,0,0|3,0,0]=4 506 B20R3.94169 Clc1ccc2sc(nc2c1)NCC3CCSCC3 c01c52ec86efcbe227d7c69069cea9ac [0,1,0,0,0,0|3,0,0]=4 507 B20R3.94169 Clc1ccc2sc(nc2n1)NCC3CCCCC3 592d596b9d48cfb4d000f310eb4a0da1 [0,1,0,0,0,0|3,0,0]=4 508 B20R3.94169 Clc1cnc2nc(sc2c1)NCC3CCCCC3 f0cbbc932eeae0a4a30c5c60803ba2ba [0,1,0,0,0,0|3,0,0]=4 509 B20R3.94169 Clc1cnc2sc(nc2c1)CNC3CCCOC3 4aa0db743c190221e41006fc2dcb3e14 [0,1,0,0,0,0|3,0,0]=4 510 B20R3.94169 Clc1cnc2sc(nc2c1)CNC3CCOCC3 7daa34dfcb83bc0d704717b9a8c8bffe [0,1,0,0,0,0|3,0,0]=4 511 B20R3.94169 Clc1cnc2sc(nc2c1)CNC3CCSCC3 1dc36d8284eefedf79c0cc84b436a292 [0,1,0,0,0,0|3,0,0]=4 512 B20R3.94169 Clc1cnc2sc(nc2c1)CN[C@@H]3CCCOC3 caca98f80d1d297d0afbdc2391544c70 [0,1,0,0,0,0|3,0,0]=4 513 B20R3.94169 Clc1cnc2sc(nc2c1)CN[C@H]3CCCOC3 adcc13a35b1f3b8a846eb3eb94fd6c2a [0,1,0,0,0,0|3,0,0]=4 514 B20R3.94169 Clc1cnc2sc(nc2c1)COC3CCCCC3 f54594e3a3746feeb1f7682737c21844 [0,1,0,0,0,0|3,0,0]=4 515 B20R3.94169 Clc1cnc2sc(nc2c1)NCC3CCCCC3 92b39c7ea1cb689440be17d1a9fee877 [0,1,0,0,0,0|3,0,0]=4 516 B20R3.94169 Fc1ccc2[nH]c(cc2c1)CNC3CCCCC3 e71877c3046b8d85fc1cd157f6cd61be [0,1,0,0,0,0|2,0,1]=4 517 B20R3.94169 Fc1ccc2[nH]c(nc2c1)NCC3CCCCC3 761627232c73b6e859b09cf7834d2b05 [0,1,0,0,0,0|3,0,0]=4 518 B20R3.94169 Fc1ccc2cc(sc2c1)COC3CCCCC3 90675dbe339a08ad67659cdb7fa3ef7d [0,1,0,0,0,0|3,0,0]=4 519 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCCOC3 da85b6db004301bb6c0852b25742ba86 [0,1,0,0,0,0|3,0,0]=4 520 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCOCC3 012be147856a9e5caace2141f8b5d68a [0,1,0,0,0,0|3,0,0]=4 521 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCSCC3 0253d645e87ea8ddcaab11327b91fd73 [0,1,0,0,0,0|3,0,0]=4 522 B20R3.94169 Fc1ccc2nc([nH]c2c1)CN[C@@H]3CCCOC3 40cdb652966483381318949a1f8a4ada [0,1,0,0,0,0|3,0,0]=4 523 B20R3.94169 Fc1ccc2nc([nH]c2c1)CN[C@H]3CCCOC3 aad303140e2424638bc41548cd4fa95b [0,1,0,0,0,0|3,0,0]=4 524 B20R3.94169 Fc1ccc2nc([nH]c2c1)COC3CCCCC3 78b11207ff78239cd14a04e8be47aeb1 [0,1,0,0,0,0|3,0,0]=4 525 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCCOC3 862981598e6ce23227b27be2a51baea1 [0,1,0,0,0,0|2,1,0]=4 526 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCOCC3 e21c1e5d6526ea21a51e05b9fb50dbb6 [0,1,0,0,0,0|2,1,0]=4 527 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCSCC3 a4b47778a1952d83790dd98d234a859c [0,1,0,0,0,0|2,1,0]=4 528 B20R3.94169 Fc1ccc2nc(oc2c1)CN[C@@H]3CCCOC3 fbf18c6a4e83acc1fa8f9ae1effcbd6c [0,1,0,0,0,0|2,1,0]=4 529 B20R3.94169 Fc1ccc2nc(oc2c1)CN[C@H]3CCCOC3 63a3688fe507669bed79986c57cf100c [0,1,0,0,0,0|2,1,0]=4 530 B20R3.94169 Fc1ccc2nc(oc2c1)COC3CCCCC3 b20ce884e275c01c6be8c0d0789b5f22 [0,1,0,0,0,0|2,1,0]=4 531 B20R3.94169 Fc1ccc2nc(oc2c1)NCC3CCCCC3 41efbc2b5deb3d65e2a51df15dffbb88 [0,1,0,0,0,0|2,1,0]=4 532 B20R3.94169 Fc1ccc2nc(sc2c1)COC3CCCCC3 094995e5395e5822a3bd189a114e6a3c [0,1,0,0,0,0|2,0,0]=3 533 B20R3.94169 Fc1ccc2nc(sc2c1)COC3CCCCO3 cc14bc143e3017c50f38d6a271f0c5e1 [0,1,0,0,0,0|3,0,0]=4 534 B20R3.94169 Fc1ccc2nc(sc2c1)COC3CCCOC3 828b9d925ae13d301b0160347132186b [0,1,0,0,0,0|3,0,0]=4 535 B20R3.94169 Fc1ccc2nc(sc2c1)COC3CCOCC3 856edf6786b61fe043b2103b87886011 [0,1,0,0,0,0|3,0,0]=4 536 B20R3.94169 Fc1ccc2nc(sc2c1)COC3CCSCC3 d24cde23e62a2f54ea489eb315c6bd4b [0,1,0,0,0,0|3,0,0]=4 537 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCCC3 d5a8b2f51db9f175f7a3a9f0a3fa1c47 [0,1,0,0,0,0|2,0,0]=3 538 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCCO3 e6eceba88d45525efbee4aa7afff59c6 [0,1,0,0,0,0|3,0,0]=4 539 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCOC3 4c40d15e58a71987568b2c31627d8c82 [0,1,0,0,0,0|3,0,0]=4 540 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCOCC3 4ccf18430fbce429218158f3eea7d12a [0,1,0,0,0,0|3,0,0]=4 541 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCSCC3 e43213cda486da2e61060489ccd57d49 [0,1,0,0,0,0|3,0,0]=4 542 B20R3.94169 Fc1ccc2nc(sc2c1)OCC3CCCCC3 f81e15aa9083192aa23817a28158a34a [0,1,0,0,0,0|1,1,0]=3 543 B20R3.94169 Fc1ccc2nc(sc2c1)OCC3CCCCO3 a0f97ca2520cc4813d405cead5b81c80 [0,1,0,0,0,0|2,1,0]=4 544 B20R3.94169 Fc1ccc2nc(sc2c1)OCC3CCCOC3 f8d97b08f335785c9871175b42eb0323 [0,1,0,0,0,0|2,1,0]=4 545 B20R3.94169 Fc1ccc2nc(sc2c1)OCC3CCOCC3 1fab5530af6c3dda26c622a2534e5bb2 [0,1,0,0,0,0|2,1,0]=4 546 B20R3.94169 Fc1ccc2nc(sc2c1)OCC3CCSCC3 2d0f0e7b00dc541e5b33bf7d50dde1a2 [0,1,0,0,0,0|2,1,0]=4 547 B20R3.94169 Fc1ccc2nc(sc2n1)NCC3CCCCC3 e88c7a0e44d120cd73811d5f02ca5c52 [0,1,0,0,0,0|3,0,0]=4 548 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCOCC3 c6f815bd3be98b3ad3b7de9486d7c85c [0,1,0,0,0,0|2,1,0]=4 549 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCSCC3 af8bce8cc47fa61c972d6e98673aff0f [0,1,0,0,0,0|2,1,0]=4 550 B20R3.94169 Fc1ccc2oc(nc2c1)COC3CCCCC3 39d6fafdb011aaffe84186385a94e52b [0,1,0,0,0,0|2,1,0]=4 551 B20R3.94169 Fc1ccc2oc(nc2c1)NCC3CCCCC3 66ff67fbf2f9155a211fe8002841c72f [0,1,0,0,0,0|2,1,0]=4 552 B20R3.94169 Fc1ccc2sc(cc2c1)COC3CCCCC3 2566607a5d3090b673838483631b120f [0,1,0,0,0,0|3,0,0]=4 553 B20R3.94169 Fc1ccc2sc(nc2c1)CNC3C=CCCC3 10a89c8004e3802e72167dd49e592209 [0,1,0,0,0,0|1,0,2]=4 554 B20R3.94169 Fc1ccc2sc(nc2c1)CNC3CCCOC3 142f4ef2272188cd646805647eafb9dc [0,1,0,0,0,0|2,0,0]=3 555 B20R3.94169 Fc1ccc2sc(nc2c1)CNC3CCOCC3 d8411aaa73d67b55e09dd4eea9f81a99 [0,1,0,0,0,0|2,0,0]=3 556 B20R3.94169 Fc1ccc2sc(nc2c1)CNC3CCSCC3 f0fcd60ce46b3751f390c7fb32848ac4 [0,1,0,0,0,0|2,0,0]=3 557 B20R3.94169 Fc1ccc2sc(nc2c1)CNC3CSCSC3 3effe8271e27106135032d31548ac1e5 [0,1,0,0,0,0|3,0,0]=4 558 B20R3.94169 Fc1ccc2sc(nc2c1)CN[C@@H]3CCCOC3 f9269dcfcfecf069898373f2ecf5a57a [0,1,0,0,0,0|2,0,0]=3 559 B20R3.94169 Fc1ccc2sc(nc2c1)CN[C@H]3CCCOC3 8f6f1398d547405bfb06b26285b5fa3d [0,1,0,0,0,0|2,0,0]=3 560 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCCCC3 4eada8b9cf9ce3c18ed60978a6f7a2c7 [0,1,0,0,0,0|2,0,0]=3 561 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCCCO3 7f78751699b32ed3f0395f89c980a6e9 [0,1,0,0,0,0|3,0,0]=4 562 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCCOC3 bb150c17318b7bb3a4958becfc5fca6d [0,1,0,0,0,0|3,0,0]=4 563 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCCSC3 983e04edec07fdba5a163b828ac805f6 [0,1,0,0,0,0|3,0,0]=4 564 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCOCC3 f79d2c6dae1eb563967d7e459813b811 [0,1,0,0,0,0|3,0,0]=4 565 B20R3.94169 Fc1ccc2sc(nc2c1)COC3CCSCC3 e6fa038d1eea88bd74fde8ad7126710d [0,1,0,0,0,0|3,0,0]=4 566 B20R3.94169 Fc1ccc2sc(nc2c1)CO[C@@H]3CCCOC3 a502f7f6e115ef2054f6e953568a2ca2 [0,1,0,0,0,0|3,0,0]=4 567 B20R3.94169 Fc1ccc2sc(nc2c1)CO[C@H]3CCCOC3 b0ee93b808232651100a7c28332200c3 [0,1,0,0,0,0|3,0,0]=4 568 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCCC3 7fd69edf3621c4a70e1b6d01e23bdb34 [0,1,0,0,0,0|2,0,0]=3 569 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCCO3 78430632968ec84ee53b81280ede5bee [0,1,0,0,0,0|3,0,0]=4 570 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCOC3 b1bb850928a7dcdcbc1a12a3a564953b [0,1,0,0,0,0|3,0,0]=4 571 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCOCC3 0d13c9f0f2f298a61d0cc729119da1e0 [0,1,0,0,0,0|3,0,0]=4 572 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCSCC3 d926c1d9e217d78a188db935a3fd929b [0,1,0,0,0,0|3,0,0]=4 573 B20R3.94169 Fc1ccc2sc(nc2n1)NCC3CCCCC3 5f81c25431aff33fc36de323d66646a4 [0,1,0,0,0,0|3,0,0]=4 574 B20R3.94169 Fc1cnc2nc(sc2c1)NCC3CCCCC3 3da1044bebd3e0b431dbfb5b0031e7f8 [0,1,0,0,0,0|3,0,0]=4 575 B20R3.94169 Fc1cnc2sc(nc2c1)NCC3CCCCC3 e45fce771bfb5e2b7398b3fcdf63c516 [0,1,0,0,0,0|3,0,0]=4 576 B20R3.94169 Ic1ccc2nc(oc2c1)NCC3CCCCC3 8e4115486aac562cf7f5e00629f22630 [0,1,0,0,0,0|2,1,0]=4 577 B20R3.94169 Ic1ccc2nc(sc2c1)NCC3CCCCC3 e6b6b49cc7e447015859df47a42d0bc2 [0,1,0,0,0,0|2,0,0]=3 578 B20R3.94169 Ic1ccc2nc(sc2c1)NCC3CCCCO3 a00102ac46ac3130ad7a2641b4519a4d [0,1,0,0,0,0|3,0,0]=4 579 B20R3.94169 Ic1ccc2nc(sc2c1)NCC3CCCOC3 e9b89c722b9b4939f1a428024c80dbd4 [0,1,0,0,0,0|3,0,0]=4 580 B20R3.94169 Ic1ccc2nc(sc2c1)NCC3CCOCC3 05dfba20fe770245ca398feba742477b [0,1,0,0,0,0|3,0,0]=4 581 B20R3.94169 Ic1ccc2nc(sc2c1)NCC3CCSCC3 81d5a1b974416d25cae05d53ca0f56ec [0,1,0,0,0,0|3,0,0]=4 582 B20R3.94169 Ic1ccc2oc(nc2c1)NCC3CCCCC3 ef95a55d0fdca8f6527e554acf530e37 [0,1,0,0,0,0|2,1,0]=4 583 B20R3.94169 O=c1ccc2sc(nc2[nH]1)NCC3CCCCC3 0cbae41d0ecd3b4c5a9c4881d084422f [0,1,0,0,0,0|3,0,0]=4 584 B20R3.97891 CC1CCCCC1CNc2cc3ccccc3s2 f61c9ea95750701771e391cf5425cd6d [0,1,0,0,0,0|3,0,0]=4 585 B20R3.97891 CC1CCCCC1CNc2nc3ccccc3o2 815382a3c34838a972420752867fa4ed [0,1,0,0,0,0|2,1,0]=4 586 B20R3.97891 CC1CCCCC1CNc2nc3cccnc3s2 a284b291d137e69c6f766db4f267aaf9 [0,1,0,0,0,0|3,0,0]=4 587 B20R3.97891 CC1CCCCC1CNc2nc3ccncc3s2 058a49a36c872946ec2d5201a9596fe2 [0,1,0,0,0,0|3,0,0]=4 588 B20R3.97891 CC1CCCCC1CNc2nc3ncccc3s2 e64b9c245e6148c1232b767eaf476b21 [0,1,0,0,0,0|3,0,0]=4 589 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 78e824624d2e2495dc1b1193edc0eb35 [0,1,0,0,0,0|3,0,0]=4 590 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3[nH]2 863978a33fcc2c5cca5259cb7d1867f9 [0,1,0,0,0,0|2,0,0]=3 591 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3o2 368b87b487bde58d7bc1c28c00d5b4af [0,1,0,0,0,0|1,1,0]=3 592 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3s2 808c3921e862db5914fc8aa0301daf5b [0,1,0,0,0,0|1,0,0]=2 593 B20R3.97891 CC1CCCCC1NCc2nc3ccccn3n2 b41f554f235e3f29930faa500299c674 [0,1,0,0,0,0|3,0,0]=4 594 B20R3.97891 CC1CCCCC1NCc2nc3cccnc3[nH]2 e10c24c5372f926dc46dc891d1a03cb5 [0,1,0,0,0,0|3,0,0]=4 595 B20R3.97891 CC1CCCCC1NCc2nc3ncccc3o2 4da3d38f61ab160160ffe1b3d6d7b89f [0,1,0,0,0,0|2,1,0]=4 596 B20R3.97891 CC1CCCCC1OCc2cc3ccccc3s2 e8f335957eff70cbf036656fc5e9e9fe [0,1,0,0,0,0|3,0,0]=4 597 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3[nH]2 25768792ef17d7eccf7450a76e8dccc0 [0,1,0,0,0,0|3,0,0]=4 598 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3o2 945d40001f08d276ab2d8d11b5e99a17 [0,1,0,0,0,0|2,1,0]=4 599 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3s2 58e747a8d864f3fabb60f38075f6e69b [0,1,0,0,0,0|2,0,0]=3 600 B20R3.97891 CC1COCCC1NCc2cc3ccccc3s2 919bc08b2eb91a494618d8f226731289 [0,1,0,0,0,0|3,0,0]=4 601 B20R3.97891 CC1COCCC1NCc2nc3ccccc3[nH]2 bdbad2ec5af5971cc31b1a4ac8285ac2 [0,1,0,0,0,0|3,0,0]=4 602 B20R3.97891 CC1COCCC1NCc2nc3ccccc3o2 ff65deedc4c9325df9a6bae34159ff51 [0,1,0,0,0,0|2,1,0]=4 603 B20R3.97891 CC1COCCC1NCc2nc3ccccc3s2 2b6a30d85225e910541273497a251064 [0,1,0,0,0,0|2,0,0]=3 604 B20R3.97891 CC1COCCC1OCc2nc3ccccc3s2 908b6f03c9a2779514382983f161bb30 [0,1,0,0,0,0|3,0,0]=4 605 B20R3.97891 CC1COCCN1CSc2nc3ccccc3s2 097aaf4ab4ba49a40db2852bc62e4727 [0,1,0,0,0,0|3,0,0]=4 606 B20R3.97891 CN1CCCCC1CNc2nc3ccccc3s2 769939dec33d7029511d659f6b63f1ea [0,1,0,0,0,0|3,0,0]=4 607 B20R3.97891 CN1CCCCC1COc2nc3ccccc3s2 158a22b65ce2792714d72e6903c14653 [0,1,0,0,0,0|2,1,0]=4 608 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3[nH]2 8cc1e9b8e1b06904b3c52540c1d15d3d [0,1,0,0,0,0|2,0,1]=4 609 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3o2 59fa461dbd5dc724eb598d94ef6b569e [0,1,0,0,0,0|2,1,0]=4 610 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3s2 fd20f5cab38921e212314a4b3902fad3 [0,1,0,0,0,0|2,0,0]=3 611 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cc3ccccn3n2 78a21f2a7386414c6aed5706364a1d5d [0,1,0,0,0,0|3,0,0]=4 612 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cc3ncccc3s2 7471297d326c85de61a91a3b9c0bb6a6 [0,1,0,0,0,0|3,0,0]=4 613 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 b309fe4c3e86ee070564689620ee0fcc [0,1,0,0,0,0|3,0,0]=4 614 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 c075ac78c2e64ca3ab65cddfb1da948d [0,1,0,0,0,0|2,0,0]=3 615 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 611ea3c5d60dc0bc4f723580713cad62 [0,1,0,0,0,0|1,1,0]=3 616 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 8ce4fa35ff090b57127c4614cf8b5595 [0,1,0,0,0,0|1,0,0]=2 617 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3ccccn3n2 be8fab4f864f8389d4d62dbda9731b30 [0,1,0,0,0,0|3,0,0]=4 618 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3cccnc3[nH]2 52219e1a93867a1b313aae447a6bad8f [0,1,0,0,0,0|3,0,0]=4 619 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3cccnc3o2 501670c4028fea4dcff07d78b9abf518 [0,1,0,0,0,0|2,1,0]=4 620 B20R3.97891 C[C@@H]1CCCC[C@@H]1NCc2nc3ncccc3o2 864d0001cf0feb62798f2b85df6b6fcc [0,1,0,0,0,0|2,1,0]=4 621 B20R3.97891 C[C@@H]1CCCC[C@@H]1OCc2cc3ccccc3s2 c27a7b8afbfd0cf15b3d7f3c9c33887c [0,1,0,0,0,0|3,0,0]=4 622 B20R3.97891 C[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3[nH]2 3007a1e2d16ae052163199594b9bfae0 [0,1,0,0,0,0|3,0,0]=4 623 B20R3.97891 C[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3o2 45c21617adfc9937d4eff91258ab6a16 [0,1,0,0,0,0|2,1,0]=4 624 B20R3.97891 C[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 bd3005247a68fd325ab6415a3eecadda [0,1,0,0,0,0|2,0,0]=3 625 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 a77cf9739a871c23d06281cf077ad9e5 [0,1,0,0,0,0|3,0,0]=4 626 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 76228436038b57df0d19f543b3ae882c [0,1,0,0,0,0|2,0,0]=3 627 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3ccccc3o2 4ca602e72719c2ffd6010233b486fb9a [0,1,0,0,0,0|1,1,0]=3 628 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 bc3b94400905f536bcb359fdac30df74 [0,1,0,0,0,0|1,0,0]=2 629 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3ccccn3n2 e757bf761c7f399869742dbbf3502137 [0,1,0,0,0,0|3,0,0]=4 630 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3cccnc3[nH]2 e3764fcb882f545d3455a808eecb4de6 [0,1,0,0,0,0|3,0,0]=4 631 B20R3.97891 C[C@@H]1CCCC[C@H]1NCc2nc3ncccc3o2 98a97ddd5a477ebabb9f556169d4621e [0,1,0,0,0,0|2,1,0]=4 632 B20R3.97891 C[C@@H]1COCCN1CSc2nc3ccccc3s2 887ba9e801769d2f5327f3924fcd41ce [0,1,0,0,0,0|3,0,0]=4 633 B20R3.97891 C[C@@H]1COCC[C@@H]1NCc2cc3ccccc3s2 3caea49092defbeb80d325a071f1de88 [0,1,0,0,0,0|3,0,0]=4 634 B20R3.97891 C[C@@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 c7d08a903473759186613f0fc681fa9b [0,1,0,0,0,0|3,0,0]=4 635 B20R3.97891 C[C@@H]1COCC[C@@H]1NCc2nc3ccccc3o2 a3ed692f3387c343c71efc326fbb393d [0,1,0,0,0,0|2,1,0]=4 636 B20R3.97891 C[C@@H]1COCC[C@@H]1NCc2nc3ccccc3s2 596d8c39071f9cc91b36cd39c09cac18 [0,1,0,0,0,0|2,0,0]=3 637 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 6559b5700b785aa131e98d9625ffd1bb [0,1,0,0,0,0|3,0,0]=4 638 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 bcc98d9a8e491023c0348157acb80585 [0,1,0,0,0,0|2,0,0]=3 639 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 65ef1bcef25731b74f22af480d6eada4 [0,1,0,0,0,0|1,1,0]=3 640 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 3235e7044ce18fdb1d31b6d116b64d66 [0,1,0,0,0,0|1,0,0]=2 641 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3ccccn3n2 7479a8c7234eb681461d7bf6f796ce82 [0,1,0,0,0,0|3,0,0]=4 642 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3cccnc3[nH]2 e2f8b201cdee6676a2e47d1b628e8b28 [0,1,0,0,0,0|3,0,0]=4 643 B20R3.97891 C[C@H]1CCCC[C@@H]1NCc2nc3ncccc3o2 e57d2b9de09621cdbc51f3a930a8960d [0,1,0,0,0,0|2,1,0]=4 644 B20R3.97891 C[C@H]1CCCC[C@@H]1OCc2cc3ccccc3s2 093a5bcd6a01fb2a7dc3c4b15e143f3e [0,1,0,0,0,0|3,0,0]=4 645 B20R3.97891 C[C@H]1CCCC[C@@H]1OCc2nc3ccccc3[nH]2 4e393c2d8f8bec3bc5d7e4a82ddb7c5c [0,1,0,0,0,0|3,0,0]=4 646 B20R3.97891 C[C@H]1CCCC[C@@H]1OCc2nc3ccccc3o2 08bca2f1e8688c5ab59d79a6aeae6896 [0,1,0,0,0,0|2,1,0]=4 647 B20R3.97891 C[C@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 87b29c8adc323308b472cb9d7846c284 [0,1,0,0,0,0|2,0,0]=3 648 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2cn3ccccc3n2 65048b2202bdcae7da3b50260dc89d64 [0,1,0,0,0,0|3,0,0]=4 649 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 cf81daf63891e177d1b2742f81b29369 [0,1,0,0,0,0|2,0,0]=3 650 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3ccccc3o2 a12e3bcf24c3c66ad7441eaa4cb9a15a [0,1,0,0,0,0|1,1,0]=3 651 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3ccccc3s2 5ca5ec115be202f3422b5d2f57fa6d80 [0,1,0,0,0,0|1,0,0]=2 652 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3ccccn3n2 041f4005403a9c6cf24610edf95d482e [0,1,0,0,0,0|3,0,0]=4 653 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3cccnc3[nH]2 bc1239597872e1fcf448d5624148da4c [0,1,0,0,0,0|3,0,0]=4 654 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2nc3ncccc3o2 2e13fe59a13ab14676b091f811e43179 [0,1,0,0,0,0|2,1,0]=4 655 B20R3.97891 C[C@H]1CCCC[C@H]1OCc2cc3ccccc3s2 ba5d56010e46cf34b0a8ada61c6960c4 [0,1,0,0,0,0|3,0,0]=4 656 B20R3.97891 C[C@H]1CCCC[C@H]1OCc2nc3ccccc3[nH]2 d061ad3ad80264d5687a2a1373724791 [0,1,0,0,0,0|3,0,0]=4 657 B20R3.97891 C[C@H]1CCCC[C@H]1OCc2nc3ccccc3o2 c877baef91fcfedba141a468fa3eb5f7 [0,1,0,0,0,0|2,1,0]=4 658 B20R3.97891 C[C@H]1CCCC[C@H]1OCc2nc3ccccc3s2 63166ee7686f3ab06aeadb6da290d5b6 [0,1,0,0,0,0|2,0,0]=3 659 B20R3.97891 C[C@H]1COCCN1CSc2nc3ccccc3s2 882aa4c063e0406291e46cec7b7ec3b1 [0,1,0,0,0,0|3,0,0]=4 660 B20R3.97891 C[C@H]1COCC[C@H]1NCc2cc3ccccc3s2 be317b083e71a6a54f696f2443f8963b [0,1,0,0,0,0|3,0,0]=4 661 B20R3.97891 C[C@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 fc4193f4c4f972889cc2d528e2b5a35b [0,1,0,0,0,0|3,0,0]=4 662 B20R3.97891 C[C@H]1COCC[C@H]1NCc2nc3ccccc3o2 27eaa2bc257b6261c6795d5de0dce1e2 [0,1,0,0,0,0|2,1,0]=4 663 B20R3.97891 C[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 37faf9f1fc62700b51e89f83f57ae861 [0,1,0,0,0,0|2,0,0]=3 664 B20R3.97891 FC1CCCCC1NCc2cc3ccccc3[nH]2 63180d36965bc6cc2573023a8031b242 [0,1,0,0,0,0|2,0,1]=4 665 B20R3.97891 FC1CCCCC1NCc2cc3ccccc3o2 36aec555b37c3d0e6391dc1bab015673 [0,1,0,0,0,0|2,1,0]=4 666 B20R3.97891 FC1CCCCC1NCc2cc3ccccc3s2 222c75bb5fdd586d3becc63dd8bf869a [0,1,0,0,0,0|2,0,0]=3 667 B20R3.97891 FC1CCCCC1NCc2cc3ccccn3n2 064eaf58844021c6383e3c5047bb4c9a [0,1,0,0,0,0|3,0,0]=4 668 B20R3.97891 FC1CCCCC1NCc2cc3ncccc3s2 71b98b9fc77a2aa555af2d9697b4d625 [0,1,0,0,0,0|3,0,0]=4 669 B20R3.97891 FC1CCCCC1NCc2cn3ccccc3n2 5347257956c1d7788941be8cf3efc0e2 [0,1,0,0,0,0|3,0,0]=4 670 B20R3.97891 FC1CCCCC1NCc2nc3ccccc3[nH]2 358830c4771785d9d5d25615dfe7efa3 [0,1,0,0,0,0|2,0,0]=3 671 B20R3.97891 FC1CCCCC1NCc2nc3ccccc3o2 f5a0a252b9885bc092df6776256c3393 [0,1,0,0,0,0|1,1,0]=3 672 B20R3.97891 FC1CCCCC1NCc2nc3ccccc3s2 9bc5ce44006571bc5158e2e3d3e3ddee [0,1,0,0,0,0|1,0,0]=2 673 B20R3.97891 FC1CCCCC1NCc2nc3cccnc3o2 064e5f3529389abd3d57cbc27069a0e7 [0,1,0,0,0,0|2,1,0]=4 674 B20R3.97891 FC1CCCCC1OCc2cc3ccccc3s2 4657f63e750b371532e87f486a877974 [0,1,0,0,0,0|3,0,0]=4 675 B20R3.97891 FC1CCCCC1OCc2nc3ccccc3[nH]2 c445b257b7f61f975786ea744c0a9c1f [0,1,0,0,0,0|3,0,0]=4 676 B20R3.97891 FC1CCCCC1OCc2nc3ccccc3o2 6f4f6e5723173082c4f178da8ec04544 [0,1,0,0,0,0|2,1,0]=4 677 B20R3.97891 FC1CCCCC1OCc2nc3ccccc3s2 87f0ff705c02b9a2470e68055450211a [0,1,0,0,0,0|2,0,0]=3 678 B20R3.97891 FC1COCCC1OCc2nc3ccccc3s2 47b1e915bf7495ed028bf04af44717a7 [0,1,0,0,0,0|3,0,0]=4 679 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2cc3ccccc3s2 e79b903969bc26304fd8d2087bfad67e [0,1,0,0,0,0|3,0,0]=4 680 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3[nH]2 237c1b2c1118f46976dde1c40c854af1 [0,1,0,0,0,0|3,0,0]=4 681 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3o2 4055702988651f048ba6eb0de3b0ca7f [0,1,0,0,0,0|2,1,0]=4 682 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 7cfcecaa293f2ca573422d335a1ae013 [0,1,0,0,0,0|2,0,0]=3 683 B20R3.97891 F[C@@H]1COCC[C@@H]1OCc2nc3ccccc3s2 a07254ac46e2321819b118d9ec58f157 [0,1,0,0,0,0|3,0,0]=4 684 B20R3.97891 F[C@@H]1COCC[C@H]1NCc2cc3ccccc3s2 23d05b67c32e82047e3b25710d91db05 [0,1,0,0,0,0|3,0,0]=4 685 B20R3.97891 F[C@@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 419c725d6cc08898c66e020477bb0e2c [0,1,0,0,0,0|3,0,0]=4 686 B20R3.97891 F[C@@H]1COCC[C@H]1NCc2nc3ccccc3o2 eb56fa98b21d75f6dab870fd37417f3d [0,1,0,0,0,0|2,1,0]=4 687 B20R3.97891 F[C@@H]1COCC[C@H]1NCc2nc3ccccc3s2 f3a204ea85c3818913525e85f090ecda [0,1,0,0,0,0|2,0,0]=3 688 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2cc3ccccc3s2 0499ca3c27f8fce1daf88076ad30a19d [0,1,0,0,0,0|3,0,0]=4 689 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 a5d67653c948be2b08551bce15bfe398 [0,1,0,0,0,0|3,0,0]=4 690 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3o2 8641fe18fdeb880bfe52d5ecc8bbe604 [0,1,0,0,0,0|2,1,0]=4 691 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 9ac0c1e2cea3deb3a0d32f6aff3bd596 [0,1,0,0,0,0|2,0,0]=3 692 B20R3.97891 F[C@H]1COCC[C@@H]1OCc2nc3ccccc3s2 bce6760f5ae9599f4d71e0fa47b84c0b [0,1,0,0,0,0|3,0,0]=4 693 B20R3.97891 F[C@H]1COCC[C@H]1OCc2nc3ccccc3s2 b7239424f1eaa49eeffec0f9954224ab [0,1,0,0,0,0|3,0,0]=4 694 B20R3.97891 O=C1CCCCC1NCc2cc3ccccc3s2 1035fa55801f8d3f9fa8ea728d2bcfa4 [0,1,0,0,0,0|2,0,1]=4 695 B20R3.97891 O=C1CCCCC1NCc2nc3ccccc3[nH]2 753e3e650d1ee7669bc89443ae9186b3 [0,1,0,0,0,0|2,0,1]=4 696 B20R3.97891 O=C1CCCCC1NCc2nc3ccccc3o2 ad5f7ada067af397b1582d8dd9ab61a1 [0,1,0,0,0,0|1,1,1]=4 697 B20R3.97891 O=C1CCCCC1NCc2nc3ccccc3s2 4e432e3c1328f4e11d8907eaa0ac36b7 [0,1,0,0,0,0|1,0,1]=3 698 B20R3.97891 O=C1CCCSC1NCc2nc3ccccc3s2 d8b998051b39664b0265d98c2863f911 [0,1,0,0,0,0|2,0,1]=4 699 B20R3.97891 O=C1NCCCC1NCc2nc3ccccc3s2 9650ab09fe90df8916dbb2b40ecc8762 [0,1,0,0,0,0|2,0,1]=4 700 B20R3.97891 O=C1NCCC[C@@H]1NCc2nc3ccccc3s2 118bbceb5c2ee3c0ecd4895f4b8ef5ae [0,1,0,0,0,0|2,0,1]=4 701 B20R3.97891 O=C1NCCC[C@H]1NCc2nc3ccccc3s2 9d6d19faa71ac24e80c38508fab13b24 [0,1,0,0,0,0|2,0,1]=4 702 B20R3.97891 OC1CCCCC1CNc2cc3ccccc3s2 2f7be3705b5f8fd806c9e9c2a88e52cc [0,1,0,0,0,0|3,0,0]=4 703 B20R3.97891 OC1CCCCC1CNc2nc3ccccc3o2 97db447c8f1410058807eaac84a2ca3e [0,1,0,0,0,0|2,1,0]=4 704 B20R3.97891 OC1CCCCC1CNc2nc3ncccc3s2 8e7e1d6b03179501638b15328aac5d94 [0,1,0,0,0,0|3,0,0]=4 705 B20R3.97891 OC1CCCCC1NCc2cc3ccccc3[nH]2 d4d60c4f85d5049014f4cbfb7b6c2ff3 [0,1,0,0,0,0|2,0,1]=4 706 B20R3.97891 OC1CCCCC1NCc2cc3ccccc3o2 b2930710de9480e7190d77a7d4426a16 [0,1,0,0,0,0|2,1,0]=4 707 B20R3.97891 OC1CCCCC1NCc2cc3ccccc3s2 0c432c6371f5dcaefe5fa6b98fb8b696 [0,1,0,0,0,0|2,0,0]=3 708 B20R3.97891 OC1CCCCC1NCc2cc3ccccn3n2 6f265af3b009992dc789ec87f004c0dd [0,1,0,0,0,0|3,0,0]=4 709 B20R3.97891 OC1CCCCC1NCc2cc3ncccc3s2 da050f354034d7c5c2584727fc415b89 [0,1,0,0,0,0|3,0,0]=4 710 B20R3.97891 OC1CCCCC1NCc2cn3ccccc3n2 4d1c0b0a4f4089966dc3e75577d85850 [0,1,0,0,0,0|3,0,0]=4 711 B20R3.97891 OC1CCCCC1NCc2nc3ccccc3[nH]2 305df96a36d6c9b2dfabef32cba3379a [0,1,0,0,0,0|2,0,0]=3 712 B20R3.97891 OC1CCCCC1NCc2nc3ccccc3o2 fe5f45918fca1ffc95182e2ddbad9676 [0,1,0,0,0,0|1,1,0]=3 713 B20R3.97891 OC1CCCCC1NCc2nc3ccccc3s2 0ce64aa0c079966f4f1ad6f6182cecc7 [0,1,0,0,0,0|1,0,0]=2 714 B20R3.97891 OC1CCCCC1NCc2nc3ccccn3n2 1e34c6b74addabc192c23d4b54adcb39 [0,1,0,0,0,0|3,0,0]=4 715 B20R3.97891 OC1CCCCC1NCc2nc3cccnc3[nH]2 3dc394535848c6eb74a49b82bdb976dc [0,1,0,0,0,0|3,0,0]=4 716 B20R3.97891 OC1CCCCC1NCc2nc3cccnc3o2 20c0c43acbf457684bec907ba4a606b0 [0,1,0,0,0,0|2,1,0]=4 717 B20R3.97891 OC1CCCCC1NCc2nc3ncccc3o2 1c1d6facf2525132aac201380a0f8410 [0,1,0,0,0,0|2,1,0]=4 718 B20R3.97891 OC1COCCC1NCc2nc3ccccc3[nH]2 eb626319884f4a35012d83649a4e4ce8 [0,1,0,0,0,0|3,0,0]=4 719 B20R3.97891 OC1COCCC1NCc2nc3ccccc3o2 541d429442ef04bb484116ad40f2458a [0,1,0,0,0,0|2,1,0]=4 720 B20R3.97891 OC1COCCC1NCc2nc3ccccc3s2 4b0c55c9cc0f333925f3c8e96c41a50d [0,1,0,0,0,0|2,0,0]=3 721 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 ed44216455e0bb7f4a2d98da0d8edf0a [0,1,0,0,0,0|3,0,0]=4 722 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 48e5fc09cd13db9461f88c985bb4f13e [0,1,0,0,0,0|2,0,0]=3 723 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 42a10b64578a15563c80c2905a228e59 [0,1,0,0,0,0|1,1,0]=3 724 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 6b471c65900aa691d3a08d706abbc767 [0,1,0,0,0,0|1,0,0]=2 725 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3ccccn3n2 caa333c6d90a1ce54ae141ea2d956a64 [0,1,0,0,0,0|3,0,0]=4 726 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3cccnc3[nH]2 8ba92ee4afb88dfb498b1d54c391c8eb [0,1,0,0,0,0|3,0,0]=4 727 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2nc3ncccc3o2 15c32c63bcfb3fc875a8a38afdd0de5d [0,1,0,0,0,0|2,1,0]=4 728 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 87ddb19e320c981b5b43ff68a7c40152 [0,1,0,0,0,0|3,0,0]=4 729 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 9d85ae45d0a345575cfbb2ef0ef81876 [0,1,0,0,0,0|2,0,0]=3 730 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3ccccc3o2 42d13a64fea4ce70e991d29d2570e276 [0,1,0,0,0,0|1,1,0]=3 731 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 d6d10ebc0f2f736d6e1f5f391d8c59a0 [0,1,0,0,0,0|1,0,0]=2 732 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3ccccn3n2 fe92a2baf2f2f5e02402b41b1b84a279 [0,1,0,0,0,0|3,0,0]=4 733 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3cccnc3[nH]2 02a2e25829d89946b5b3d826ddef9903 [0,1,0,0,0,0|3,0,0]=4 734 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2nc3ncccc3o2 5f0a2eb87bbe7dcb6d91d4c7dca69322 [0,1,0,0,0,0|2,1,0]=4 735 B20R3.97891 O[C@@H]1CCOC[C@@H]1NCc2cc3ccccc3s2 7fecd16e0606869bc114c3635f78f747 [0,1,0,0,0,0|3,0,0]=4 736 B20R3.97891 O[C@@H]1CCOC[C@@H]1NCc2nc3ccccc3[nH]2 124ad002a2756c91d4d3b2b823f2e510 [0,1,0,0,0,0|3,0,0]=4 737 B20R3.97891 O[C@@H]1CCOC[C@@H]1NCc2nc3ccccc3o2 fd16c979e8af33782090648ab8ceee04 [0,1,0,0,0,0|2,1,0]=4 738 B20R3.97891 O[C@@H]1CCOC[C@@H]1NCc2nc3ccccc3s2 a213902514d5b3db85a35f26c3b9fdf6 [0,1,0,0,0,0|2,0,0]=3 739 B20R3.97891 O[C@@H]1CCOC[C@H]1NCc2cc3ccccc3s2 00ef9d2a6fa2cdb7e35e823d3c4e5f50 [0,1,0,0,0,0|3,0,0]=4 740 B20R3.97891 O[C@@H]1CCOC[C@H]1NCc2nc3ccccc3[nH]2 5acc166243b073f2829663cb2b108419 [0,1,0,0,0,0|3,0,0]=4 741 B20R3.97891 O[C@@H]1CCOC[C@H]1NCc2nc3ccccc3o2 f2b6a2c51c826608d46b95d47bd91651 [0,1,0,0,0,0|2,1,0]=4 742 B20R3.97891 O[C@@H]1CCOC[C@H]1NCc2nc3ccccc3s2 3d95e978f60ec21f891e265741471935 [0,1,0,0,0,0|2,0,0]=3 743 B20R3.97891 O[C@@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 52bfac4e21fe1f22e3ccca95473091d2 [0,1,0,0,0,0|3,0,0]=4 744 B20R3.97891 O[C@@H]1COCC[C@@H]1NCc2nc3ccccc3o2 7b690218fddedb512278c5d02bbc3a83 [0,1,0,0,0,0|2,1,0]=4 745 B20R3.97891 O[C@@H]1COCC[C@@H]1NCc2nc3ccccc3s2 a0c1ce970c13f9145e1e04b8c34d4f35 [0,1,0,0,0,0|2,0,0]=3 746 B20R3.97891 O[C@@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 ff6a075e11d7a6e31aa5675ebc2a68a9 [0,1,0,0,0,0|3,0,0]=4 747 B20R3.97891 O[C@@H]1COCC[C@H]1NCc2nc3ccccc3o2 83a8082fe123ba37943fe3c0b03fdcf0 [0,1,0,0,0,0|2,1,0]=4 748 B20R3.97891 O[C@@H]1COCC[C@H]1NCc2nc3ccccc3s2 ed4af93127725f49be9e73cc0ba7005d [0,1,0,0,0,0|2,0,0]=3 749 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ccccc3[nH]2 0e759919a5374fb62bb6b1c94cfcd174 [0,1,0,0,0,0|2,0,1]=4 750 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ccccc3o2 a6528ddbde21c1b9ac9908f1fc95ffdf [0,1,0,0,0,0|2,1,0]=4 751 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ccccc3s2 f0e7a178f7c85d57140beb561c28faf0 [0,1,0,0,0,0|2,0,0]=3 752 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ccccn3n2 de89fd4ac7d113231977b92f2a8cf26c [0,1,0,0,0,0|3,0,0]=4 753 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ncccc3s2 3108b8cbb9eafaac8121c5ca993575a3 [0,1,0,0,0,0|3,0,0]=4 754 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 fca74bc0abb684fc7b7abcdeb1de87de [0,1,0,0,0,0|3,0,0]=4 755 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 1b5bc8951a913d31b652614a1039446e [0,1,0,0,0,0|2,0,0]=3 756 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 a30b4ae94c20452b6f43c10c4f7dea14 [0,1,0,0,0,0|1,1,0]=3 757 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 e059ad3d22a3440d92a01a240d802a8b [0,1,0,0,0,0|1,0,0]=2 758 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3ccccn3n2 8f3d5ef3b8fca3fd2208a967066a7e50 [0,1,0,0,0,0|3,0,0]=4 759 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3cccnc3[nH]2 98cdf854771b6ca212d2a17973a3998b [0,1,0,0,0,0|3,0,0]=4 760 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3cccnc3o2 c3839cdb9510b25273b2cf38a23fab2e [0,1,0,0,0,0|2,1,0]=4 761 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2nc3ncccc3o2 5c7d951855c3533c5d280dcba6050d31 [0,1,0,0,0,0|2,1,0]=4 762 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2cc3ccccc3s2 67694b950fbf5260da36857722be010c [0,1,0,0,0,0|3,0,0]=4 763 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3[nH]2 e637e191e2e06e8128d8f7efe2f5abcc [0,1,0,0,0,0|3,0,0]=4 764 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3o2 28df316b16e133dbc772b5426e34ef4c [0,1,0,0,0,0|2,1,0]=4 765 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3s2 12b8fdf4c468404fe6a1b449e8b29867 [0,1,0,0,0,0|2,0,0]=3 766 B20R3.97891 O[C@H]1CCOC[C@H]1NCc2cc3ccccc3s2 6b69df1b8046368d71d301e49d40b3f1 [0,1,0,0,0,0|3,0,0]=4 767 B20R3.97891 O[C@H]1CCOC[C@H]1NCc2nc3ccccc3[nH]2 8191f6309efdbdbe6dcf936adbb722c5 [0,1,0,0,0,0|3,0,0]=4 768 B20R3.97891 O[C@H]1CCOC[C@H]1NCc2nc3ccccc3o2 b499f25d7b834969c932e7e803cb47ec [0,1,0,0,0,0|2,1,0]=4 769 B20R3.97891 O[C@H]1CCOC[C@H]1NCc2nc3ccccc3s2 04c1a9009479fa77f37bb0564947c11a [0,1,0,0,0,0|2,0,0]=3 770 B20R3.97891 O[C@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 3173ad8aba544111961b9d3fa6bd9509 [0,1,0,0,0,0|3,0,0]=4 771 B20R3.97891 O[C@H]1COCC[C@@H]1NCc2nc3ccccc3o2 6621fc6d26b01ed423e6b6b177d702f9 [0,1,0,0,0,0|2,1,0]=4 772 B20R3.97891 O[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 a52c84bad0dcfce8a229897145118794 [0,1,0,0,0,0|2,0,0]=3 773 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 811ae3765ee208ae669891366b40988f [0,1,0,0,0,0|3,0,0]=4 774 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3o2 37eabe4b73474cb672a3a0f8fdbc7fdc [0,1,0,0,0,0|2,1,0]=4 775 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 a8b2d143710ab555388e6d4a0161ca08 [0,1,0,0,0,0|2,0,0]=3 776 B20R3.248100 Brc1cccc2c1cc(s2)COC3CCCCC3 04acf93be1814cef8f15ec6cb0160334 [0,1,0,0,0,0|3,0,0]=4 777 B20R3.248100 Brc1cccc2c1nc([nH]2)COC3CCCCC3 d79ce57ccf6af314da0911725d4e79d3 [0,1,0,0,0,0|3,0,0]=4 778 B20R3.248100 Brc1cccc2c1nc([nH]2)NCC3CCCCC3 df896a9bb16d440209caa661461f47ea [0,1,0,0,0,0|3,0,0]=4 779 B20R3.248100 Brc1cccc2c1nc(o2)NCC3CCCCC3 b5137bcb8628a576690a92b976e2b60f [0,1,0,0,0,0|2,1,0]=4 780 B20R3.248100 Brc1cccc2c1nc(s2)NCC3CCCCC3 43951ed0a26d08ab873179c74534cf89 [0,1,0,0,0,0|2,0,0]=3 781 B20R3.248100 Brc1cccc2c1oc(n2)NCC3CCCCC3 4e4d7a7846cdeae474ea2cb24583136f [0,1,0,0,0,0|2,1,0]=4 782 B20R3.248100 Brc1cccc2c1sc(c2)NCC3CCCCC3 829c89c5ecd5a42d29ce0666d06b1288 [0,1,0,0,0,0|3,0,0]=4 783 B20R3.248100 Brc1cccc2c1sc(n2)NCC3CCCCC3 6b179b9260e7cb3de29aa00460a7e856 [0,1,0,0,0,0|2,0,0]=3 784 B20R3.248100 Brc1cccc2c1sc(n2)NCC3CCOCC3 119bf121cd7aa74df35efc905a559288 [0,1,0,0,0,0|3,0,0]=4 785 B20R3.248100 Brc1cccc2c1sc(n2)NCC3CCSCC3 1871415ebaa4914b0e481ff09e819ba3 [0,1,0,0,0,0|3,0,0]=4 786 B20R3.248100 Brc1cncc2c1nc(s2)NCC3CCCCC3 ea22d6c5c095a8f15a44811a5241cd08 [0,1,0,0,0,0|3,0,0]=4 787 B20R3.248100 Brc1nccc2c1sc(n2)NCC3CCCCC3 601b7bda480b3761853d1168ca5a4c9a [0,1,0,0,0,0|3,0,0]=4 788 B20R3.248100 Cc1cccc2c1[nH]c(n2)OCC3CCCCC3 ef37e05ae48926c94bd52b045e2310f5 [0,1,0,0,0,0|2,1,0]=4 789 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCCC3 e7335be6e7f5af773757414861017e7b [0,1,0,0,0,0|2,0,0]=3 790 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCCO3 f7acbd09886da6e075153a75572ff497 [0,1,0,0,0,0|3,0,0]=4 791 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCOC3 362ab007f1030dfa55e54597db72ae55 [0,1,0,0,0,0|3,0,0]=4 792 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCOCC3 77ad42e7b64ec4dff45b58d1428b4946 [0,1,0,0,0,0|3,0,0]=4 793 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCSCC3 09eba16290d075e29c017b7029cdb0c1 [0,1,0,0,0,0|3,0,0]=4 794 B20R3.248100 Cc1cccc2c1nc([nH]2)COC3CCCCC3 d8a3a1f344fc797fe44ea6572bfa2c8b [0,1,0,0,0,0|3,0,0]=4 795 B20R3.248100 Cc1cccc2c1nc([nH]2)NCC3CCCCC3 e18ab4e4f36cf839eaa528bd68695637 [0,1,0,0,0,0|3,0,0]=4 796 B20R3.248100 Cc1cccc2c1nc(o2)NCC3CCCCC3 af3bdcddbe7099be37b17ad354de3318 [0,1,0,0,0,0|2,1,0]=4 797 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCCC3 b340494d0be052358d36b17d65b9f38c [0,1,0,0,0,0|2,0,0]=3 798 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCCO3 48156dd65c1953b3d96c049e3848c7b8 [0,1,0,0,0,0|3,0,0]=4 799 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCOC3 ecdc7fa866d0e321493ffc6cf8db4be9 [0,1,0,0,0,0|3,0,0]=4 800 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCOCC3 e29a2e8f27e947b3cae04cf3a544b26b [0,1,0,0,0,0|3,0,0]=4 801 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCSCC3 ac3ade726a09f26a91c9d356f87859e6 [0,1,0,0,0,0|3,0,0]=4 802 B20R3.248100 Cc1cccc2c1nc(s2)OCC3CCCCC3 c7c76cbdb15f95c59a5f810755b4d969 [0,1,0,0,0,0|1,1,0]=3 803 B20R3.248100 Cc1cccc2c1nc(s2)OCC3CCCCO3 e735181873f57a3795f99eeb9cdc2389 [0,1,0,0,0,0|2,1,0]=4 804 B20R3.248100 Cc1cccc2c1nc(s2)OCC3CCCOC3 33ee702be9d27e19278c024ef64f421c [0,1,0,0,0,0|2,1,0]=4 805 B20R3.248100 Cc1cccc2c1nc(s2)OCC3CCOCC3 b8d51a5dd7d98e15a5dcdfd8c22659fb [0,1,0,0,0,0|2,1,0]=4 806 B20R3.248100 Cc1cccc2c1oc(n2)NCC3CCCCC3 74fbbfe31fddcccc78d873816d4a6f25 [0,1,0,0,0,0|2,1,0]=4 807 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCCCC3 354c3cc1fa0bf9968f586fe3471216e3 [0,1,0,0,0,0|2,0,0]=3 808 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCCCO3 9aa8dfcced4360075496c1e72ace8b75 [0,1,0,0,0,0|3,0,0]=4 809 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCCOC3 f18e885c93cafa5195d40b096f82e7e6 [0,1,0,0,0,0|3,0,0]=4 810 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCOCC3 b49966615be0d97a657913f81cb269b0 [0,1,0,0,0,0|3,0,0]=4 811 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCSCC3 e26e03815a73e8d3a828cc1bfa19c9ab [0,1,0,0,0,0|3,0,0]=4 812 B20R3.248100 Cc1cccn2c1nc(c2)CNC3CCCCC3 369c9ccdb2414605b2019cc63419593a [0,1,0,0,0,0|3,0,0]=4 813 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCCOC3 dff29c51fe125965fcbe94c593f96834 [0,1,0,0,0,0|3,0,0]=4 814 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCOCC3 a9abdf457509048b15a7548f5869db54 [0,1,0,0,0,0|3,0,0]=4 815 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCSCC3 b72850d696fb1218cd8d2c4e5e5aa80f [0,1,0,0,0,0|3,0,0]=4 816 B20R3.248100 Clc1cccc2c1cc(s2)CN[C@@H]3CCCOC3 59c948fbd4274e8040e4768a549ea21b [0,1,0,0,0,0|3,0,0]=4 817 B20R3.248100 Clc1cccc2c1cc(s2)CN[C@H]3CCCOC3 e58f974ab33b2cec61d111b30739df67 [0,1,0,0,0,0|3,0,0]=4 818 B20R3.248100 Clc1cccc2c1cc(s2)COC3CCCCC3 f4b8944432ce8a8b2b524daed983540b [0,1,0,0,0,0|3,0,0]=4 819 B20R3.248100 Clc1cccc2c1nc([nH]2)NCC3CCCCC3 69d80ecefec8bdb7436ddce2d4a64dd6 [0,1,0,0,0,0|3,0,0]=4 820 B20R3.248100 Clc1cccc2c1nc(o2)CNC3CCOCC3 2f864646d85a87aebfef368251becf0c [0,1,0,0,0,0|2,1,0]=4 821 B20R3.248100 Clc1cccc2c1nc(o2)COC3CCCCC3 cec5afc6b8a3cd21db857ffad0e92b7f [0,1,0,0,0,0|2,1,0]=4 822 B20R3.248100 Clc1cccc2c1nc(o2)NCC3CCCCC3 3a03ab277f634c30cad66ecf0d23a48b [0,1,0,0,0,0|2,1,0]=4 823 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCCCC3 c8e9b958c53b23dbd40c8d1a0af949b9 [0,1,0,0,0,0|2,0,0]=3 824 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCCCO3 d287b60b0fb736ca39ab5affc39f5394 [0,1,0,0,0,0|3,0,0]=4 825 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCCOC3 a01e63d8afd6684c5c79dc1f9e637fc1 [0,1,0,0,0,0|3,0,0]=4 826 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCOCC3 78c42ea42c0e80af28d000a2d89d8b34 [0,1,0,0,0,0|3,0,0]=4 827 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCSCC3 956b58adfc5971f915fa2c40d3a705df [0,1,0,0,0,0|3,0,0]=4 828 B20R3.248100 Clc1cccc2c1oc(n2)NCC3CCCCC3 0e16ff08271ab6c5377a58495efb4b98 [0,1,0,0,0,0|2,1,0]=4 829 B20R3.248100 Clc1cccc2c1sc(c2)COC3CCCCC3 70203584013a744441dae19128590067 [0,1,0,0,0,0|3,0,0]=4 830 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCCCC3 7413c97577fca53ebf1171afafc957f4 [0,1,0,0,0,0|2,0,0]=3 831 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCCCO3 05a6c47533357e4dbbc8bd2624e9155e [0,1,0,0,0,0|3,0,0]=4 832 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCCOC3 2f29137b3f809ff2e2fb5dd22596c484 [0,1,0,0,0,0|3,0,0]=4 833 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCOCC3 f8728ded600f6b8f08b0090a811c4075 [0,1,0,0,0,0|3,0,0]=4 834 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCSCC3 1c8f2830ea22bd263c1b32142e521e2d [0,1,0,0,0,0|3,0,0]=4 835 B20R3.248100 Clc1nccc2c1sc(n2)NCC3CCCCC3 3f6611d263e3f74c6843031bbbc3e311 [0,1,0,0,0,0|3,0,0]=4 836 B20R3.248100 Fc1cccc2c1[nH]c(n2)CNC3CCCCO3 0b93e04ba79154ce285c3af87affff3e [0,1,0,0,0,0|3,0,0]=4 837 B20R3.248100 Fc1cccc2c1cc(s2)COC3CCCCC3 cccc8c38f2572ad9fd1e6b8fbef6f9ae [0,1,0,0,0,0|3,0,0]=4 838 B20R3.248100 Fc1cccc2c1nc([nH]2)NCC3CCCCC3 b517dc9ee185306410ee6a8fc02f6498 [0,1,0,0,0,0|3,0,0]=4 839 B20R3.248100 Fc1cccc2c1nc(o2)COC3CCCCC3 8fb3cb0211b71d8470232aa61be47380 [0,1,0,0,0,0|2,1,0]=4 840 B20R3.248100 Fc1cccc2c1nc(o2)NCC3CCCCC3 5b6614bc9866c75d06e895eb87417d09 [0,1,0,0,0,0|2,1,0]=4 841 B20R3.248100 Fc1cccc2c1nc(o2)OCC3CCCCC3 f60a76fc9c8be81aab3a95952df86caf [0,1,0,0,0,0|1,2,0]=4 842 B20R3.248100 Fc1cccc2c1nc(s2)COC3CCCCC3 df8ff73f23dca339bf9fef34774b5ca5 [0,1,0,0,0,0|2,0,0]=3 843 B20R3.248100 Fc1cccc2c1nc(s2)COC3CCOCC3 c31bf1cdd77f950ae90d8b06629d0ff7 [0,1,0,0,0,0|3,0,0]=4 844 B20R3.248100 Fc1cccc2c1nc(s2)COC3CCSCC3 7805125782da77afd6e5f8fb1d8b106d [0,1,0,0,0,0|3,0,0]=4 845 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCCC3 a938d55d328eb28472c345c5d745c0f3 [0,1,0,0,0,0|2,0,0]=3 846 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCCO3 d86a79357bcf0b41878f8eca4a56e4c6 [0,1,0,0,0,0|3,0,0]=4 847 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCOC3 ac8c30635beefc0491d235a764f6a56e [0,1,0,0,0,0|3,0,0]=4 848 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCOCC3 95a3fdb1d6e8bb4c659ff839167fc2bf [0,1,0,0,0,0|3,0,0]=4 849 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCSCC3 47f541704f87902275e447e80b93e71b [0,1,0,0,0,0|3,0,0]=4 850 B20R3.248100 Fc1cccc2c1oc(n2)CNC3CCOCC3 09e531449a5686d8b0a711e66ed6f76f [0,1,0,0,0,0|2,1,0]=4 851 B20R3.248100 Fc1cccc2c1oc(n2)COC3CCCCC3 37c062fb02c274b029ca7b9f67b7d1e8 [0,1,0,0,0,0|2,1,0]=4 852 B20R3.248100 Fc1cccc2c1oc(n2)NCC3CCCCC3 feb3b1f72e4294c3d37b3300cd65bf44 [0,1,0,0,0,0|2,1,0]=4 853 B20R3.248100 Fc1cccc2c1oc(n2)OCC3CCCCC3 31cae6d8ae71831b464eea6d87a16e19 [0,1,0,0,0,0|1,2,0]=4 854 B20R3.248100 Fc1cccc2c1sc(c2)COC3CCCCC3 e2f6e91645d10550b706aa0ae0f93a60 [0,1,0,0,0,0|3,0,0]=4 855 B20R3.248100 Fc1cccc2c1sc(n2)NCC3CCCCC3 7c2f93e9fab609279253fc89813079f0 [0,1,0,0,0,0|2,0,0]=3 856 B20R3.248100 Fc1cccc2c1sc(n2)NCC3CCCCO3 8b9d98e58285ae4440c9dd7cde02fe62 [0,1,0,0,0,0|3,0,0]=4 857 B20R3.248100 Fc1cccc2c1sc(n2)NCC3CCCOC3 93d479a1378c99c5774a4f5f518b275f [0,1,0,0,0,0|3,0,0]=4 858 B20R3.248100 Fc1cccc2c1sc(n2)NCC3CCOCC3 0fb4096ccbe4de723873c4ad980de7ff [0,1,0,0,0,0|3,0,0]=4 859 B20R3.248100 Fc1cccc2c1sc(n2)NCC3CCSCC3 6ef580298751813ed14121d385bc8602 [0,1,0,0,0,0|3,0,0]=4 860 B20R3.248100 Ic1cccc2c1nc(s2)NCC3CCCCC3 0d42dc0fe0484345051282436a7f1087 [0,1,0,0,0,0|2,0,0]=3 861 B20R3.248100 Ic1cccc2c1nc(s2)NCC3CCCCO3 765895c6c0211ce69f62f490e5b99ef7 [0,1,0,0,0,0|3,0,0]=4 862 B20R3.248100 Ic1cccc2c1nc(s2)NCC3CCCOC3 1eb72409714d91c87fbd9bcfd136e25e [0,1,0,0,0,0|3,0,0]=4 863 B20R3.248100 Ic1cccc2c1nc(s2)NCC3CCOCC3 976e2e682753bb51dcf754d9a42b54de [0,1,0,0,0,0|3,0,0]=4 864 B20R3.248100 Ic1cccc2c1nc(s2)NCC3CCSCC3 3c8cf5ada8fc58ca1bb97d1f3990beb6 [0,1,0,0,0,0|3,0,0]=4 865 B20R3.331219 CC(NC1C=CCCC1)c2nc3ccccc3s2 33661d7ee38ccad2bc6ba045bf35ee03 [0,1,0,0,0,0|1,0,2]=4 866 B20R3.331219 CC(NC1CCCCC1)c2cc3ccccc3o2 290f3c97b1453edcd925ed4d31268eac [0,1,0,0,0,0|2,1,0]=4 867 B20R3.331219 CC(NC1CCCCC1)c2nc3ccccc3s2 71745c2f82558c49f0c21c37d9184e51 [0,1,0,0,0,0|1,0,0]=2 868 B20R3.331219 CC(NC1CCCCO1)c2nc3ccccc3s2 230e2311314bfd397501e1f3b7842480 [0,1,0,0,0,0|2,0,0]=3 869 B20R3.331219 CC(NC1CCCOC1)c2nc3ccccc3s2 7dec5c787da4694eb70b4a500ae53936 [0,1,0,0,0,0|2,0,0]=3 870 B20R3.331219 CC(NC1CCOCC1)c2nc3ccccc3s2 855c7343f599440e55f33aa5930c8b5c [0,1,0,0,0,0|2,0,0]=3 871 B20R3.331219 CC(NC1CCSCC1)c2nc3ccccc3s2 752d0393ff4f309d02a671ae4e7a5ce2 [0,1,0,0,0,0|2,0,0]=3 872 B20R3.331219 CC(OC1CCCCC1)c2nc3ccccc3[nH]2 b913f4bac771f98f7bfbcf6eeaa1f432 [0,1,0,0,0,0|3,0,0]=4 873 B20R3.331219 CC(OC1CCCCC1)c2nc3ccccc3o2 0a04e833e2558f459c8c8c86dbd3a8ab [0,1,0,0,0,0|2,1,0]=4 874 B20R3.331219 CC(OC1CCCCO1)c2nc3ccccc3s2 9b494921d48e44f42712e3844a516573 [0,1,0,0,0,0|3,0,0]=4 875 B20R3.331219 CN(CC1CCCCC1)c2nc3ccccc3[nH]2 9f2fe2c8fdd439ec91c88ddbf1dc8089 [0,1,0,0,0,0|3,0,0]=4 876 B20R3.331219 CN(CC1CCCCC1)c2nc3ccccc3o2 0420801c7e9c6db60bf6758e0ec02def [0,1,0,0,0,0|2,1,0]=4 877 B20R3.331219 CN(CC1CCCCC1)c2nc3ccccc3s2 e9e1e7df4debf3c2a04be5bb290d2cee [0,1,0,0,0,0|2,0,0]=3 878 B20R3.331219 CN(CC1CCCCO1)c2nc3ccccc3s2 36a157c4ea10127e4859ebdbe7195116 [0,1,0,0,0,0|3,0,0]=4 879 B20R3.331219 CN(CC1CCCOC1)c2nc3ccccc3s2 66a89159380662188901b81234db4b73 [0,1,0,0,0,0|3,0,0]=4 880 B20R3.331219 CN(CC1CCOCC1)c2nc3ccccc3s2 64c3972d5987f31b800be8278821dc24 [0,1,0,0,0,0|3,0,0]=4 881 B20R3.331219 CN(CC1CCSCC1)c2nc3ccccc3s2 4370438aa4d53f29fc7b73496bdf7ccb [0,1,0,0,0,0|3,0,0]=4 882 B20R3.331219 C[C@@H](NC1CCCCC1)c2nc3ccccc3[nH]2 1f8da5f241693c1d63a87792c1a031bf [0,1,0,0,0,0|2,0,0]=3 883 B20R3.331219 C[C@@H](NC1CCCCO1)c2nc3ccccc3[nH]2 861745806c991e7dc49536cd604e2192 [0,1,0,0,0,0|3,0,0]=4 884 B20R3.331219 C[C@@H](NC1CCCOC1)c2nc3ccccc3[nH]2 42b86bf42e87bfd26f843c69e9ca2394 [0,1,0,0,0,0|3,0,0]=4 885 B20R3.331219 C[C@@H](NC1CCOCC1)c2nc3ccccc3[nH]2 40a657f636c837fa5890e75b4792f6e3 [0,1,0,0,0,0|3,0,0]=4 886 B20R3.331219 C[C@@H](NC1CCSCC1)c2nc3ccccc3[nH]2 c0c2977c33133a7195e3e9bc351c915c [0,1,0,0,0,0|3,0,0]=4 887 B20R3.331219 C[C@@H](OC1CCCCC1)c2nc3ccccc3[nH]2 1524295a088d5c7f21d77fa443c31055 [0,1,0,0,0,0|3,0,0]=4 888 B20R3.331219 C[C@H](NC1C=CCCC1)c2nc3ccccc3s2 be3c3c6a2e6e9f6fa427777b447375bb [0,1,0,0,0,0|1,0,2]=4 889 B20R3.331219 C[C@H](NC1CCCCC1)c2nc3ccccc3s2 f973077f4583ef4ff4f02c76a49f6289 [0,1,0,0,0,0|1,0,0]=2 890 B20R3.331219 C[C@H](NC1CCCCO1)c2nc3ccccc3s2 c6411ead02e818d9ed23ff4e89ffed3f [0,1,0,0,0,0|2,0,0]=3 891 B20R3.331219 C[C@H](NC1CCCOC1)c2nc3ccccc3s2 b10ac1ec055702a591e0f9f77e22332f [0,1,0,0,0,0|2,0,0]=3 892 B20R3.331219 C[C@H](NC1CCOCC1)c2cc3ccccc3s2 14f77725a3fa343460a3b24f6978c4b7 [0,1,0,0,0,0|3,0,0]=4 893 B20R3.331219 C[C@H](NC1CCOCC1)c2nc3ccccc3s2 a2c575dbaea6157062ed284e0eec6f05 [0,1,0,0,0,0|2,0,0]=3 894 B20R3.331219 C[C@H](NC1CCSCC1)c2cc3ccccc3s2 73049bc492438c5b96f78ab30462a061 [0,1,0,0,0,0|3,0,0]=4 895 B20R3.331219 C[C@H](NC1CCSCC1)c2nc3ccccc3s2 23bb66df885e2610aa68497457ac42d7 [0,1,0,0,0,0|2,0,0]=3 896 B20R3.331219 C[C@H](OC1CCCCC1)c2nc3ccccc3[nH]2 461264c7e653fdfbac88ff63c17e8cea [0,1,0,0,0,0|3,0,0]=4 897 B20R3.331219 O=C(NC1C=CCCC1)c2nc3ccccc3s2 01d0dbe76271c8ec018875d157416f3c [0,1,0,0,0,0|1,0,2]=4 898 B20R3.331219 O=C(NC1CCCOC1)c2cc3ccccc3s2 237fde195e24127b2973e80a66d00920 [0,1,0,0,0,0|3,0,0]=4 899 B20R3.331219 O=C(NC1CCCOC1)c2nc3ccccc3o2 b26ad235df79323e21acf927767b2dc3 [0,1,0,0,0,0|2,1,0]=4 900 B20R3.331219 O=C(NC1CCCOC1)c2nc3ccccc3s2 b733c6799fe90264b2a9b3c930527df4 [0,1,0,0,0,0|2,0,0]=3 901 B20R3.331219 O=C(NC1CCCOC1)c2nc3cccnc3s2 86add333b7829ad5c117abf94d5bb596 [0,1,0,0,0,0|3,0,0]=4 902 B20R3.331219 O=C(NC1CCCOC1)c2nc3ccncc3s2 f51a8bb1cfc4e3cda2bf5a7573d54097 [0,1,0,0,0,0|3,0,0]=4 903 B20R3.331219 O=C(NC1CCCOC1)c2nc3cnccc3s2 6af6e1a8aaa50a3cb641bbccdc4f90d4 [0,1,0,0,0,0|3,0,0]=4 904 B20R3.331219 O=C(NC1CCOCC1)c2cc3ccccc3s2 3483f925856329e46dcb65d88185eca5 [0,1,0,0,0,0|3,0,0]=4 905 B20R3.331219 O=C(NC1CCOCC1)c2nc3ccccc3o2 90fde04ccaa6a0cf53f0ed8c7f1c55e8 [0,1,0,0,0,0|2,1,0]=4 906 B20R3.331219 O=C(NC1CCOCC1)c2nc3ccccc3s2 4e69adccd594eb8db4752f759083182b [0,1,0,0,0,0|2,0,0]=3 907 B20R3.331219 O=C(NC1CCOCC1)c2nc3cccnc3s2 492fdc8438a4362a37153fc660adb295 [0,1,0,0,0,0|3,0,0]=4 908 B20R3.331219 O=C(NC1CCOCC1)c2nc3ccncc3s2 eeae67b6ba80da8da5f7ba18de637c24 [0,1,0,0,0,0|3,0,0]=4 909 B20R3.331219 O=C(NC1CCOCC1)c2nc3cnccc3s2 30ec65b64b8d622246d8ce16cd6471be [0,1,0,0,0,0|3,0,0]=4 910 B20R3.331219 O=C(NC1CCSCC1)c2cc3ccccc3s2 830ca291045d654e5495a592859d6d71 [0,1,0,0,0,0|3,0,0]=4 911 B20R3.331219 O=C(NC1CCSCC1)c2nc3ccccc3o2 a24704c72d2188912d1161a34fe846d3 [0,1,0,0,0,0|2,1,0]=4 912 B20R3.331219 O=C(NC1CCSCC1)c2nc3ccccc3s2 5ad00821eeb9b2c7b4219e780941ca79 [0,1,0,0,0,0|2,0,0]=3 913 B20R3.331219 O=C(NC1CCSCC1)c2nc3cccnc3s2 f7a89bcee1dd399761fb1bf7a4c9da5c [0,1,0,0,0,0|3,0,0]=4 914 B20R3.331219 O=C(NC1CCSCC1)c2nc3ccncc3s2 bc7f336d2cafa463ce34839b11ed2360 [0,1,0,0,0,0|3,0,0]=4 915 B20R3.331219 O=C(NC1CCSCC1)c2nc3cnccc3s2 9bcb31e829e8aafbdb109119301e822a [0,1,0,0,0,0|3,0,0]=4 916 B20R3.331219 O=C(NC1CSCSC1)c2nc3ccccc3s2 3b5ade354235f77a90a368aded65989d [0,1,0,0,0,0|3,0,0]=4 917 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2cc3ccccc3s2 a3fa2f83e6bbf4dd8a76d02b6642e1ab [0,1,0,0,0,0|3,0,0]=4 918 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2nc3ccccc3o2 bdfb2e4d5ffebac129e56942d291334d [0,1,0,0,0,0|2,1,0]=4 919 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2nc3ccccc3s2 be2833bb694b52eaee526aff5612e268 [0,1,0,0,0,0|2,0,0]=3 920 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2nc3cccnc3s2 ee05035ebb676ab560ca8554a9190c66 [0,1,0,0,0,0|3,0,0]=4 921 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2nc3ccncc3s2 ae05d1244561df22f9f3f9e8d597135c [0,1,0,0,0,0|3,0,0]=4 922 B20R3.331219 O=C(N[C@@H]1CCCOC1)c2nc3cnccc3s2 810230224b86ee695c78c02eb657fc20 [0,1,0,0,0,0|3,0,0]=4 923 B20R3.331219 O=C(N[C@H]1CCCOC1)c2cc3ccccc3s2 aaf14da8a3c86fa4c121caac1f9b8557 [0,1,0,0,0,0|3,0,0]=4 924 B20R3.331219 O=C(N[C@H]1CCCOC1)c2nc3ccccc3o2 4ca0e3d6ee1d750a97de04b0b4f73ebb [0,1,0,0,0,0|2,1,0]=4 925 B20R3.331219 O=C(N[C@H]1CCCOC1)c2nc3ccccc3s2 155163d00770c5070802b9492df90b58 [0,1,0,0,0,0|2,0,0]=3 926 B20R3.331219 O=C(N[C@H]1CCCOC1)c2nc3cccnc3s2 622f9f2059fc12e40505459c0f447ae8 [0,1,0,0,0,0|3,0,0]=4 927 B20R3.331219 O=C(N[C@H]1CCCOC1)c2nc3ccncc3s2 a27c120d82c72b85b409cb735f1e7315 [0,1,0,0,0,0|3,0,0]=4 928 B20R3.331219 O=C(N[C@H]1CCCOC1)c2nc3cnccc3s2 9d62e2bc19900878e41796ab334196c8 [0,1,0,0,0,0|3,0,0]=4 929 B20R3.408728 C=C1CCC(CC1)CNc2nc3ccccc3s2 3aa532eaf9050981ca08033cfea15ac5 [0,1,0,0,0,0|2,0,1]=4 930 B20R3.408728 C=C1CCC(CC1)COc2nc3ccccc3s2 bb3c9b48b98146f6cfb6411cde5cdde0 [0,1,0,0,0,0|1,1,1]=4 931 B20R3.408728 CC1CCC(CC1)CNc2cc3ccccc3s2 552c814596249fb7f7135660d3ca501a [0,1,0,0,0,0|3,0,0]=4 932 B20R3.408728 CC1CCC(CC1)CNc2nc3ccccc3[nH]2 e99a5fc03c7bbbaedd6a9f306747cf69 [0,1,0,0,0,0|3,0,0]=4 933 B20R3.408728 CC1CCC(CC1)CNc2nc3ccccc3o2 1f45fe86a45c77298fe054facb72fbc1 [0,1,0,0,0,0|2,1,0]=4 934 B20R3.408728 CC1CCC(CC1)CNc2nc3ccccc3s2 da27021d52979a9dcade7ffd7a693aab [0,1,0,0,0,0|2,0,0]=3 935 B20R3.408728 CC1CCC(CC1)CNc2nc3cccnc3s2 ffc382ea146ae0eb8f7120f2799d26a4 [0,1,0,0,0,0|3,0,0]=4 936 B20R3.408728 CC1CCC(CC1)CNc2nc3ccncc3s2 0fa1add53f62e5b146675f3786fbf9ce [0,1,0,0,0,0|3,0,0]=4 937 B20R3.408728 CC1CCC(CC1)CNc2nc3cnccc3s2 5a2115e991fb65354aeead34104cc74c [0,1,0,0,0,0|3,0,0]=4 938 B20R3.408728 CC1CCC(CC1)CNc2nc3ncccc3s2 6b00e0b75334c11de0defc649c5d1a7f [0,1,0,0,0,0|3,0,0]=4 939 B20R3.408728 CC1CCC(CC1)COc2cc3ccccc3s2 7709a923158eb70e4cdc8ef98ab7d8ae [0,1,0,0,0,0|2,1,0]=4 940 B20R3.408728 CC1CCC(CC1)COc2nc3ccccc3[nH]2 c3cb75dbf156e307ab78ce2db5422044 [0,1,0,0,0,0|2,1,0]=4 941 B20R3.408728 CC1CCC(CC1)COc2nc3ccccc3s2 083db41a38490b85637d749abb2c2a14 [0,1,0,0,0,0|1,1,0]=3 942 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3[nH]2 d662c961a436ca6e986e08371edc400f [0,1,0,0,0,0|2,0,1]=4 943 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3o2 2cc09807dde1a78bb3648a02f7fbf7e2 [0,1,0,0,0,0|2,1,0]=4 944 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3s2 31dca9e65f4829a8fdd4f4551a9db8c8 [0,1,0,0,0,0|2,0,0]=3 945 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccn3n2 2e318bf0b6213e8cba097c6287ea578b [0,1,0,0,0,0|3,0,0]=4 946 B20R3.408728 CC1CCC(CC1)NCc2cc3ncccc3s2 d3130d4bb4d27f721d55efe48de54d42 [0,1,0,0,0,0|3,0,0]=4 947 B20R3.408728 CC1CCC(CC1)NCc2cn3ccccc3n2 e05865dd9ce876b980f9a683f5a2ffad [0,1,0,0,0,0|3,0,0]=4 948 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccc3[nH]2 ab407dda48c519ffaa78c497e2867ddb [0,1,0,0,0,0|2,0,0]=3 949 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccc3o2 ad9867f12987d4402d1b9c21feae4e8b [0,1,0,0,0,0|1,1,0]=3 950 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccc3s2 89a2296228cc33530fbed32c8a6ff159 [0,1,0,0,0,0|1,0,0]=2 951 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccn3n2 bb95c49135adb22dfb8aae55eee396a4 [0,1,0,0,0,0|3,0,0]=4 952 B20R3.408728 CC1CCC(CC1)NCc2nc3cccnc3[nH]2 e7ee167afae8185355d7aca6595e8485 [0,1,0,0,0,0|3,0,0]=4 953 B20R3.408728 CC1CCC(CC1)NCc2nc3cccnc3o2 8bd2bd76c54e5bede973f3d3da2c2154 [0,1,0,0,0,0|2,1,0]=4 954 B20R3.408728 CC1CCC(CC1)NCc2nc3ncccc3o2 3d2880a0723616bddde70100082328df [0,1,0,0,0,0|2,1,0]=4 955 B20R3.408728 CC1CCC(CC1)OCc2cc3ccccc3s2 ae11257d6cda591f14bab6631c3c0d31 [0,1,0,0,0,0|3,0,0]=4 956 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3[nH]2 2d719f9bb3c1070e231e5f6d1aa1eab6 [0,1,0,0,0,0|3,0,0]=4 957 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3o2 71a16aebf1867da1f75ef187fdc0b446 [0,1,0,0,0,0|2,1,0]=4 958 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3s2 2b80035d634ccf8768706448d5dc75c2 [0,1,0,0,0,0|2,0,0]=3 959 B20R3.408728 CC1CCN(CC1)CSc2nc3ccccc3s2 14638056c140137832ee1f51b20ac586 [0,1,0,0,0,0|2,0,0]=3 960 B20R3.408728 CN1CCC(CC1)NCc2cc3ccccc3s2 26aed6de3b36f39607e6fdef173bcdda [0,1,0,0,0,0|3,0,0]=4 961 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3[nH]2 c11fd904cf694b90fc2b33fb668e88e5 [0,1,0,0,0,0|3,0,0]=4 962 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3o2 1b97caf0dec76a665c284c9f6fc15f6d [0,1,0,0,0,0|2,1,0]=4 963 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3s2 aeea6342d497403b3575a74fc026a31a [0,1,0,0,0,0|2,0,0]=3 964 B20R3.408728 CN1CCC(CC1)OCc2nc3ccccc3s2 cc07a594b6e3a019b187286d94c7f6f9 [0,1,0,0,0,0|3,0,0]=4 965 B20R3.408728 CN1CCN(CC1)CSc2nc3ccccc3s2 669e77cb42ee210f6c71524a8c134d91 [0,1,0,0,0,0|3,0,0]=4 966 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 30e17a540aadd300160c60d8068f43e6 [0,1,0,0,0,0|2,0,0]=3 967 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 7f277d47bfcef0d7809a77b58de68b90 [0,1,0,0,0,0|3,0,0]=4 968 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 6eb588edfaeea52888ba7a00f00b89cd [0,1,0,0,0,0|2,0,0]=3 969 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 2b4374846c2017c4e03ad0b4698216f6 [0,1,0,0,0,0|1,1,0]=3 970 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 120c23e74e731d9a368355d62b4b04dd [0,1,0,0,0,0|1,0,0]=2 971 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccn3n2 22ada14d9fbcdbac57826f8025bbe54d [0,1,0,0,0,0|3,0,0]=4 972 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3cccnc3[nH]2 657a526c183848ba8134c2215a48d346 [0,1,0,0,0,0|3,0,0]=4 973 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ncccc3o2 2827aee5ba0ae377ddbbd4b2485374d0 [0,1,0,0,0,0|2,1,0]=4 974 B20R3.408728 C[C@H]1CC[C@@H](CC1)OCc2cc3ccccc3s2 f3db35808e765a35d6fd0e3d03eb8aea [0,1,0,0,0,0|3,0,0]=4 975 B20R3.408728 C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3[nH]2 91d801ef4bc9af437967a024cd8ea3e6 [0,1,0,0,0,0|3,0,0]=4 976 B20R3.408728 C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3o2 983ce80bbfdc0a134550267f5a38caac [0,1,0,0,0,0|2,1,0]=4 977 B20R3.408728 C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 3f00131aa2f8b62b8feff1201cce2081 [0,1,0,0,0,0|2,0,0]=3 978 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 229c033dcdffa04688d8393ba4e3a9f9 [0,1,0,0,0,0|2,0,0]=3 979 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2cn3ccccc3n2 60f7152c9b1314195cd12c90aca02e16 [0,1,0,0,0,0|3,0,0]=4 980 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 484b15042c02abdd8c95a0bd997d2572 [0,1,0,0,0,0|2,0,0]=3 981 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3ccccc3o2 f4ce06be635115fbad72efffed45efa9 [0,1,0,0,0,0|1,1,0]=3 982 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 61d4f1fed377ea110c47475444ef7bd4 [0,1,0,0,0,0|1,0,0]=2 983 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3ccccn3n2 5aa80ac194fc2c90f4abaa8f1df4e47e [0,1,0,0,0,0|3,0,0]=4 984 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3cccnc3[nH]2 392c2043c3055f65c2d5a5fd3f43fd6e [0,1,0,0,0,0|3,0,0]=4 985 B20R3.408728 C[C@H]1CC[C@H](CC1)NCc2nc3ncccc3o2 67a2c06ee03ba0c08d40af726a112bd6 [0,1,0,0,0,0|2,1,0]=4 986 B20R3.408728 C[C@H]1CC[C@H](CC1)OCc2cc3ccccc3s2 263b2e6fa9d0bbeab3c5c892beb35e09 [0,1,0,0,0,0|3,0,0]=4 987 B20R3.408728 C[C@H]1CC[C@H](CC1)OCc2nc3ccccc3[nH]2 cd841dba72e429df70f4bc4adce97c9a [0,1,0,0,0,0|3,0,0]=4 988 B20R3.408728 C[C@H]1CC[C@H](CC1)OCc2nc3ccccc3o2 1e13dfce01d7465022994a1669359783 [0,1,0,0,0,0|2,1,0]=4 989 B20R3.408728 C[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 550af64106e7452b947f077b8e9867f0 [0,1,0,0,0,0|2,0,0]=3 990 B20R3.408728 ClC1CCC(CC1)CNc2cc3ccccc3s2 c25273ca77fbaf3bbb5fc0be57904d20 [0,1,0,0,0,0|3,0,0]=4 991 B20R3.408728 ClC1CCC(CC1)CNc2nc3ccccc3[nH]2 e229cd5cf4930e2b733fd656c1531b82 [0,1,0,0,0,0|3,0,0]=4 992 B20R3.408728 ClC1CCC(CC1)CNc2nc3ccccc3o2 450bf58d646769b2055476f6b92a1acd [0,1,0,0,0,0|2,1,0]=4 993 B20R3.408728 ClC1CCC(CC1)CNc2nc3ncccc3s2 aa060d8b4134162fc70cd0409c41a048 [0,1,0,0,0,0|3,0,0]=4 994 B20R3.408728 ClC1CCC(CC1)NCc2cc3ccccc3s2 60794fc022f53295559323cbecc2a6ea [0,1,0,0,0,0|2,0,0]=3 995 B20R3.408728 ClC1CCC(CC1)NCc2cn3ccccc3n2 feaf546118ed5f3586ff9fdada04514c [0,1,0,0,0,0|3,0,0]=4 996 B20R3.408728 ClC1CCC(CC1)NCc2nc3ccccc3[nH]2 ceb64effca5da2dbb3c6d20adb554e44 [0,1,0,0,0,0|2,0,0]=3 997 B20R3.408728 ClC1CCC(CC1)NCc2nc3ccccc3o2 5b559e62be52787c629fc8f771c8dba5 [0,1,0,0,0,0|1,1,0]=3 998 B20R3.408728 ClC1CCC(CC1)NCc2nc3ccccc3s2 121be59aa51737b93716760a76d78e4f [0,1,0,0,0,0|1,0,0]=2 999 B20R3.408728 ClC1CCC(CC1)NCc2nc3ccccn3n2 6d7852902201367820b47801b126dc7d [0,1,0,0,0,0|3,0,0]=4 1000 B20R3.408728 ClC1CCC(CC1)NCc2nc3cccnc3[nH]2 27a6931f76c4a37a487f40553a942c05 [0,1,0,0,0,0|3,0,0]=4 1001 B20R3.408728 ClC1CCC(CC1)NCc2nc3ncccc3o2 0a5fdfaa549356257004002404375090 [0,1,0,0,0,0|2,1,0]=4 1002 B20R3.408728 ClC1CCN(CC1)CSc2nc3ccccc3s2 fe7884faabe1d7524a66cb654ddcf945 [0,1,0,0,0,0|2,0,0]=3 1003 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 c9b034c089213e8c0b7ad1cba6502315 [0,1,0,0,0,0|2,0,0]=3 1004 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 b2dbc6582b47e8a1185366e87afde8d1 [0,1,0,0,0,0|3,0,0]=4 1005 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 8826dddb95960acb436ecf647a7b6f15 [0,1,0,0,0,0|2,0,0]=3 1006 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 3cd093104b75cdfdb8a770470b9fd45d [0,1,0,0,0,0|1,1,0]=3 1007 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 bdc516db861c172d30697484a909febe [0,1,0,0,0,0|1,0,0]=2 1008 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3ccccn3n2 7e72ddcea939798392ad1f335620c0fa [0,1,0,0,0,0|3,0,0]=4 1009 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3cccnc3[nH]2 f8e93a77e2924ca76436fc820b560d95 [0,1,0,0,0,0|3,0,0]=4 1010 B20R3.408728 Cl[C@H]1CC[C@@H](CC1)NCc2nc3ncccc3o2 61bf605ba975baba2e0ffb4529ee6470 [0,1,0,0,0,0|2,1,0]=4 1011 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 0b82fd9756000d41d4daf12b7bc03373 [0,1,0,0,0,0|2,0,0]=3 1012 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2cn3ccccc3n2 e0b1463850804a7e31ba6284d32406e4 [0,1,0,0,0,0|3,0,0]=4 1013 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 821fb6b4f43a8feb42f53c30b3d0dafb [0,1,0,0,0,0|2,0,0]=3 1014 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3ccccc3o2 264cf990e500939a9a31023966a63879 [0,1,0,0,0,0|1,1,0]=3 1015 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 d03ec6bb3dfc65189d15567da94467f9 [0,1,0,0,0,0|1,0,0]=2 1016 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3ccccn3n2 7af5696c9877243bbfa3d5fdc4dc74e3 [0,1,0,0,0,0|3,0,0]=4 1017 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3cccnc3[nH]2 fb755c77902b4d8f9d4abaf30d7ada12 [0,1,0,0,0,0|3,0,0]=4 1018 B20R3.408728 Cl[C@H]1CC[C@H](CC1)NCc2nc3ncccc3o2 decf80f88491852deae6e638c46d1066 [0,1,0,0,0,0|2,1,0]=4 1019 B20R3.408728 FC1CCC(CC1)OCc2cc3ccccc3s2 bf2aa8b62f2b16652f2775c75c0942fd [0,1,0,0,0,0|3,0,0]=4 1020 B20R3.408728 FC1CCC(CC1)OCc2nc3ccccc3[nH]2 4c2a645b30b876ba4e1d179f9784cdaf [0,1,0,0,0,0|3,0,0]=4 1021 B20R3.408728 FC1CCC(CC1)OCc2nc3ccccc3o2 a439f3987163be16354b56fdca94f751 [0,1,0,0,0,0|2,1,0]=4 1022 B20R3.408728 FC1CCC(CC1)OCc2nc3ccccc3s2 69cc6e75a73d9d7ab327fd8f1ed08e29 [0,1,0,0,0,0|2,0,0]=3 1023 B20R3.408728 FC1CCN(CC1)CSc2nc3ccccc3s2 f0f82ba989d195a33c393209e8596c5e [0,1,0,0,0,0|2,0,0]=3 1024 B20R3.408728 F[C@H]1CC[C@@H](CC1)CNc2cc3ccccc3s2 16f379753e2b8bbbf83f09c882783089 [0,1,0,0,0,0|3,0,0]=4 1025 B20R3.408728 F[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3[nH]2 4461bb086baa72305234de6ebc4cf447 [0,1,0,0,0,0|3,0,0]=4 1026 B20R3.408728 F[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3o2 2090df929b07f5afe1caf73d061c16b0 [0,1,0,0,0,0|2,1,0]=4 1027 B20R3.408728 F[C@H]1CC[C@@H](CC1)CNc2nc3ccncc3s2 3385b29bbf9a30d02d5a1cb33be54038 [0,1,0,0,0,0|3,0,0]=4 1028 B20R3.408728 F[C@H]1CC[C@@H](CC1)CNc2nc3ncccc3s2 6159dbd5b05786a5a5d40c0d332bbe18 [0,1,0,0,0,0|3,0,0]=4 1029 B20R3.408728 F[C@H]1CC[C@H](CC1)CNc2cc3ccccc3s2 95b9e3ba0d6904ec5ced899b21f506de [0,1,0,0,0,0|3,0,0]=4 1030 B20R3.408728 F[C@H]1CC[C@H](CC1)CNc2nc3ccccc3[nH]2 7e6a7ac037c12a13b6884c366fab733f [0,1,0,0,0,0|3,0,0]=4 1031 B20R3.408728 F[C@H]1CC[C@H](CC1)CNc2nc3ccccc3o2 d4bb6a62d79383f6fd59746f9500c4f9 [0,1,0,0,0,0|2,1,0]=4 1032 B20R3.408728 F[C@H]1CC[C@H](CC1)CNc2nc3ccncc3s2 2c13d5c905f91e0e4de2af274b7f7f07 [0,1,0,0,0,0|3,0,0]=4 1033 B20R3.408728 F[C@H]1CC[C@H](CC1)CNc2nc3ncccc3s2 b6ee23e37cef15cc702d5b9f7b7f1c62 [0,1,0,0,0,0|3,0,0]=4 1034 B20R3.408728 IC1CCN(CC1)CSc2nc3ccccc3s2 72fe783ee2b589f7c7b22b630863c3c4 [0,1,0,0,0,0|2,0,0]=3 1035 B20R3.408728 O=C1CCC(CC1)CNc2nc3ccccc3s2 83862ad1acb598f66cbc974db22aba8e [0,1,0,0,0,0|2,0,1]=4 1036 B20R3.408728 O=C1CCC(CC1)NCc2nc3ccccc3[nH]2 9b277c2aef43ce9cd404e915fa38de85 [0,1,0,0,0,0|2,0,1]=4 1037 B20R3.408728 O=C1CCC(CC1)NCc2nc3ccccc3o2 edca85e627094f89f8b03ed8b1cb16dc [0,1,0,0,0,0|1,1,1]=4 1038 B20R3.408728 O=C1CCC(CC1)OCc2nc3ccccc3s2 8c7fe1ef7ca4012d8ace8292d696e545 [0,1,0,0,0,0|2,0,1]=4 1039 B20R3.408728 O=C1CCC(CN1)NCc2nc3ccccc3s2 89433ecef0d7f32c748d3ca17ffa5c20 [0,1,0,0,0,0|2,0,1]=4 1040 B20R3.408728 O=C1CC[C@@H](CN1)NCc2nc3ccccc3s2 d575332f561b67b5b4c3579f917ed605 [0,1,0,0,0,0|2,0,1]=4 1041 B20R3.408728 O=C1CC[C@H](CN1)NCc2nc3ccccc3s2 07cd07f7617e57df8110bd09d9297986 [0,1,0,0,0,0|2,0,1]=4 1042 B20R3.408728 OC1CCC(CC1)CNc2cc3ccccc3s2 ab89f06d285a21c1b30c189eadc3daf9 [0,1,0,0,0,0|3,0,0]=4 1043 B20R3.408728 OC1CCC(CC1)CNc2nc3ccccc3[nH]2 fa3e55ce2a570ac67523f8b0a760ee87 [0,1,0,0,0,0|3,0,0]=4 1044 B20R3.408728 OC1CCC(CC1)CNc2nc3ccccc3o2 8977cc33f9eb1c2872f9aeeeb713d38f [0,1,0,0,0,0|2,1,0]=4 1045 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3o2 418fa7b16817e7c9598ff3dbd13998eb [0,1,0,0,0,0|2,1,0]=4 1046 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3s2 cb122eaacc159f4b5b5dba4f3dbf33d7 [0,1,0,0,0,0|2,0,0]=3 1047 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccn3n2 526d5569595552a2cf9120c7d7b5ffe4 [0,1,0,0,0,0|3,0,0]=4 1048 B20R3.408728 OC1CCC(CC1)NCc2cc3ncccc3s2 cc039f28fd9bb137888e58e7468b82d0 [0,1,0,0,0,0|3,0,0]=4 1049 B20R3.408728 OC1CCC(CC1)NCc2cn3ccccc3n2 a4e66a82374ada22c1fe45166822936e [0,1,0,0,0,0|3,0,0]=4 1050 B20R3.408728 OC1CCC(CC1)NCc2nc3ccccc3[nH]2 0f81825328544a32ecb3217151db1be9 [0,1,0,0,0,0|2,0,0]=3 1051 B20R3.408728 OC1CCC(CC1)NCc2nc3ccccc3o2 b70455ce1c065789e182fbdc61de607d [0,1,0,0,0,0|1,1,0]=3 1052 B20R3.408728 OC1CCC(CC1)NCc2nc3ccccc3s2 98729659430a8688541c5df98d87af2a [0,1,0,0,0,0|1,0,0]=2 1053 B20R3.408728 OC1CCC(CC1)NCc2nc3cccnc3[nH]2 3687bb1f01a5889508e69fe27c8656e0 [0,1,0,0,0,0|3,0,0]=4 1054 B20R3.408728 OC1CCC(CC1)NCc2nc3cccnc3o2 6d1e2379c32d7136ee17670cea766908 [0,1,0,0,0,0|2,1,0]=4 1055 B20R3.408728 OC1CCC(CC1)NCc2nc3ncccc3o2 2f8c6b11442aab307da738cc5b7e9890 [0,1,0,0,0,0|2,1,0]=4 1056 B20R3.408728 OC1CCN(CC1)CSc2nc3ccccc3s2 f4e1a6e5ba1bda258f20eecd3fd7247d [0,1,0,0,0,0|2,0,0]=3 1057 B20R3.408728 O[C@H]1CC[C@@H](CC1)CNc2cc3ccccc3s2 8bca20d3eecaaa78ef3c60ffa729028c [0,1,0,0,0,0|3,0,0]=4 1058 B20R3.408728 O[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3[nH]2 ea5a3684913dc9cdfce2d627666cff02 [0,1,0,0,0,0|3,0,0]=4 1059 B20R3.408728 O[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3o2 40383bf6db4e7f373e4b24870e39168e [0,1,0,0,0,0|2,1,0]=4 1060 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 24409c0d074e5ae8b43e4369fb7e16e9 [0,1,0,0,0,0|2,0,0]=3 1061 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 73304ffc119a552c17a06b94147516a0 [0,1,0,0,0,0|3,0,0]=4 1062 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 24288e05507be825a7ef0bb7c57fd5f4 [0,1,0,0,0,0|2,0,0]=3 1063 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 98ce5ec8cdb1ebda20a8157cb577933d [0,1,0,0,0,0|1,1,0]=3 1064 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 fa5c7f31c78bb05f492b64a008603801 [0,1,0,0,0,0|1,0,0]=2 1065 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2nc3cccnc3[nH]2 7e6a881fcc2ae764c626c6dde257bb6e [0,1,0,0,0,0|3,0,0]=4 1066 B20R3.408728 O[C@H]1CC[C@@H](CC1)NCc2nc3ncccc3o2 44087fd00c7876f0295aef037a845245 [0,1,0,0,0,0|2,1,0]=4 1067 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 9026153b086d3c5510e940336aa24ec4 [0,1,0,0,0,0|2,0,0]=3 1068 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cn3ccccc3n2 01ced83a425066fef9629faace427662 [0,1,0,0,0,0|3,0,0]=4 1069 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 fcf6ca3cfe0671ee58435a46ea61e62d [0,1,0,0,0,0|2,0,0]=3 1070 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3o2 556aaee3502212f0b8399b34bf7f40d1 [0,1,0,0,0,0|1,1,0]=3 1071 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 949a3fd8473dfec9e8eed791e22c47ff [0,1,0,0,0,0|1,0,0]=2 1072 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3cccnc3[nH]2 b8db6dc74f51da3f9053a5de5a9e6375 [0,1,0,0,0,0|3,0,0]=4 1073 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ncccc3o2 02b7f9df50ec95163b28383ee6dd46d3 [0,1,0,0,0,0|2,1,0]=4 1074 B20R3.14686862 CC1(CCCCC1)CNc2cc3ccccc3s2 4c9553df19333ee54a6bd67ab51d3bbe [0,1,0,0,0,0|3,0,0]=4 1075 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccccc3[nH]2 1b55875f7fa3faef420898c1358fcccb [0,1,0,0,0,0|3,0,0]=4 1076 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccccc3o2 d696bc4057243e018e2d4c3b4efffa7d [0,1,0,0,0,0|2,1,0]=4 1077 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccccc3s2 c8173982791c216c996c91f5a6eea31c [0,1,0,0,0,0|2,0,0]=3 1078 B20R3.14686862 CC1(CCCCC1)CNc2nc3cccnc3s2 310376c8ca5be73028afccdd84bc8989 [0,1,0,0,0,0|3,0,0]=4 1079 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccncc3s2 7fdc61d61b45ab00a2effa956cfb6197 [0,1,0,0,0,0|3,0,0]=4 1080 B20R3.14686862 CC1(CCCCC1)CNc2nc3cnccc3s2 b5860ca0ed77d13db60311dd16943a89 [0,1,0,0,0,0|3,0,0]=4 1081 B20R3.14686862 CC1(CCCCC1)CNc2nc3ncccc3s2 0c38e8e778beb057431b135e87c808a6 [0,1,0,0,0,0|3,0,0]=4 1082 B20R3.14686862 CC1(CCCCC1)COc2cc3ccccc3s2 a4ffdc2bb031ca8d7474090859bd304b [0,1,0,0,0,0|2,1,0]=4 1083 B20R3.14686862 CC1(CCCCC1)COc2nc3ccccc3[nH]2 afe3c81a42e4671c0db698f0ee63f2f1 [0,1,0,0,0,0|2,1,0]=4 1084 B20R3.14686862 CC1(CCCCC1)COc2nc3ccccc3s2 973927a5bce05a6efa2cddc977cf4335 [0,1,0,0,0,0|1,1,0]=3 1085 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3s2 3ef4527106f9edbf66557ff80ceba447 [0,1,0,0,0,0|2,0,0]=3 1086 B20R3.14686862 CC1(CCCCC1)NCc2cn3ccccc3n2 8255f95b1f7726b0f8862a6c518fc51f [0,1,0,0,0,0|3,0,0]=4 1087 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3[nH]2 158712a6f0f71d84df258baac7cf2977 [0,1,0,0,0,0|2,0,0]=3 1088 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3o2 2703a768373795a1a74228b744c619a6 [0,1,0,0,0,0|1,1,0]=3 1089 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3s2 145e753a6d45d2204d90ef83ce17c102 [0,1,0,0,0,0|1,0,0]=2 1090 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccn3n2 842485b0ca2b5bc86013505da1cde7a5 [0,1,0,0,0,0|3,0,0]=4 1091 B20R3.14686862 CC1(CCCCC1)NCc2nc3cccnc3[nH]2 c00322ede37a6efab36a19556b3785f6 [0,1,0,0,0,0|3,0,0]=4 1092 B20R3.14686862 CC1(CCCCC1)NCc2nc3ncccc3o2 917d8bfd324dd891f48ef57a4d9ed69d [0,1,0,0,0,0|2,1,0]=4 1093 B20R3.14686862 CC1(CCOCC1)CNc2nc3ccccc3s2 4230f9c5513c0c0e13bc6d48dc84f908 [0,1,0,0,0,0|3,0,0]=4 1094 B20R3.14686862 CC1(CCOCC1)NCc2cc3ccccc3s2 d3d05279b7b043e3583884a28c6cae97 [0,1,0,0,0,0|3,0,0]=4 1095 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3[nH]2 3492126b05a7a1eef62998b839b8a3fe [0,1,0,0,0,0|3,0,0]=4 1096 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3o2 01445a79916835ef2462399e3e046330 [0,1,0,0,0,0|2,1,0]=4 1097 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 c29e9f76651e66b881644b15113f2108 [0,1,0,0,0,0|2,0,0]=3 1098 B20R3.14686862 OC1(CCCCC1)CNc2nc3ccccc3o2 6c7fd9b91a0b40cc976f4f35948e415c [0,1,0,0,0,0|2,1,0]=4 1099 B20R3.14686862 OC1(CCOCC1)CNc2nc3ccccc3s2 4fadee9d5f329e25122bc4aa54a0783a [0,1,0,0,0,0|3,0,0]=4 1100 B20R3.14686862 OC1(CCOCC1)COc2nc3ccccc3s2 16fc8c99929958d58e082a57545a9c7d [0,1,0,0,0,0|2,1,0]=4 1101 B18R2.1897 C=CCCC(C)NCc1nc2ccccc2s1 f5bc5b6ca2e6321daac18f04ac6ff68a [0,0,1,0,0,0|1,0,2]=4 1102 B18R2.1897 CC(CCCO)NCc1cc2ccccc2s1 c87afe9f39887aa242151a517f299732 [0,0,1,0,0,0|3,0,0]=4 1103 B18R2.1897 CC(CCCO)NCc1nc2ccccc2[nH]1 f90fca28bb66306e76c733820a342021 [0,0,1,0,0,0|3,0,0]=4 1104 B18R2.1897 CC(CCCO)NCc1nc2ccccc2o1 9e5a4de5bebba1164a04109129eb3d59 [0,0,1,0,0,0|2,1,0]=4 1105 B18R2.1897 CC(CCCO)NCc1nc2ccccc2s1 46ce8886e8096cc66b7ef3acba327ba6 [0,0,1,0,0,0|2,0,0]=3 1106 B18R2.1897 CCCCC(=O)NCc1nc2ccccc2s1 903d38db5f9187c31c1b8f5e092fa600 [0,0,1,0,0,0|2,0,1]=4 1107 B18R2.1897 CCCCC(C)NCc1cc2ccccc2[nH]1 0ca0437003c14d29b036878288678419 [0,0,1,0,0,0|2,0,1]=4 1108 B18R2.1897 CCCCC(C)NCc1cc2ccccc2o1 a7e724fd551b98072366ce7b448d1ca2 [0,0,1,0,0,0|2,1,0]=4 1109 B18R2.1897 CCCCC(C)NCc1cc2ccccc2s1 a4c553e08aaa7701697005561b3b39df [0,0,1,0,0,0|2,0,0]=3 1110 B18R2.1897 CCCCC(C)NCc1cc2ccccn2n1 218d6683d4805905000a88f8a4feb1e0 [0,0,1,0,0,0|3,0,0]=4 1111 B18R2.1897 CCCCC(C)NCc1cc2ncccc2s1 2e6064f5668fefe4068ce192744a000c [0,0,1,0,0,0|3,0,0]=4 1112 B18R2.1897 CCCCC(C)NCc1cn2ccccc2n1 ab1387cc3d3ca790d30a35d14a5b9e0b [0,0,1,0,0,0|3,0,0]=4 1113 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 f088f7d4f2b9a9d5cfdd0e096608bf43 [0,0,1,0,0,0|2,0,0]=3 1114 B18R2.1897 CCCCC(C)NCc1nc2ccccc2o1 6649b31f22019802fd129e0d6031f9d7 [0,0,1,0,0,0|1,1,0]=3 1115 B18R2.1897 CCCCC(C)NCc1nc2ccccc2s1 f1f3ea4fa85cd2d8c7f3ec74d13c7daa [0,0,1,0,0,0|1,0,0]=2 1116 B18R2.1897 CCCCC(C)NCc1nc2cccnc2[nH]1 e3d0c30fe7ffffba5eeb0cbb6214d952 [0,0,1,0,0,0|3,0,0]=4 1117 B18R2.1897 CCCCC(C)NCc1nc2cccnc2o1 0565f04fc486921b5e14f570bae56f7f [0,0,1,0,0,0|2,1,0]=4 1118 B18R2.1897 CCCCC(C)NCc1nc2ncccc2o1 eac2fbbed13731058e2e319b37b13b61 [0,0,1,0,0,0|2,1,0]=4 1119 B18R2.1897 CCCCC(C)OCc1cc2ccccc2s1 e3f7f708648554a893ab0e945bb9f30c [0,0,1,0,0,0|3,0,0]=4 1120 B18R2.1897 CCCCC(C)OCc1nc2ccccc2[nH]1 7b375425cd1d8b785c17dcc9e6c5cb09 [0,0,1,0,0,0|3,0,0]=4 1121 B18R2.1897 CCCCC(C)OCc1nc2ccccc2o1 4a3649de768feed55fe84d61eec5c9df [0,0,1,0,0,0|2,1,0]=4 1122 B18R2.1897 CCCCC(C)OCc1nc2ccccc2s1 d2e04f182d64d8c917d979bbc738e409 [0,0,1,0,0,0|2,0,0]=3 1123 B18R2.1897 CCCCN(C)CSc1nc2ccccc2s1 231c34dd6ef7195b45e1a9b93a9e6b4c [0,0,1,0,0,0|2,0,0]=3 1124 B18R2.1897 CCCC[C@@H](C)NCc1cc2ccccc2s1 d7823d771d53832846b15052d76a9ca7 [0,0,1,0,0,0|2,0,0]=3 1125 B18R2.1897 CCCC[C@@H](C)NCc1cn2ccccc2n1 1907625d65c02662f211159873860240 [0,0,1,0,0,0|3,0,0]=4 1126 B18R2.1897 CCCC[C@@H](C)NCc1nc2ccccc2[nH]1 21b7647b537a1a2f003fc8025c204c86 [0,0,1,0,0,0|2,0,0]=3 1127 B18R2.1897 CCCC[C@@H](C)NCc1nc2ccccc2o1 e7ea236bb2b3b0c4d9ea7631a92b7b0b [0,0,1,0,0,0|1,1,0]=3 1128 B18R2.1897 CCCC[C@@H](C)NCc1nc2ccccc2s1 2e4352337fa25cd4e8372df3d257521d [0,0,1,0,0,0|1,0,0]=2 1129 B18R2.1897 CCCC[C@@H](C)NCc1nc2cccnc2[nH]1 d746a292217bdff99ccbf47706525dc4 [0,0,1,0,0,0|3,0,0]=4 1130 B18R2.1897 CCCC[C@@H](C)NCc1nc2ncccc2o1 2cf2df50e609535f34df43c91d536d5f [0,0,1,0,0,0|2,1,0]=4 1131 B18R2.1897 CCCC[C@@H](C)OCc1cc2ccccc2s1 0ef566e01b6bc6ded13ba90364adc604 [0,0,1,0,0,0|3,0,0]=4 1132 B18R2.1897 CCCC[C@@H](C)OCc1nc2ccccc2[nH]1 b247fc88b7538701918889583be56062 [0,0,1,0,0,0|3,0,0]=4 1133 B18R2.1897 CCCC[C@@H](C)OCc1nc2ccccc2o1 d957dc87a68cbc86b99236d7bd523a45 [0,0,1,0,0,0|2,1,0]=4 1134 B18R2.1897 CCCC[C@@H](C)OCc1nc2ccccc2s1 8a814bc76f6ea56925e6a2dea04780cb [0,0,1,0,0,0|2,0,0]=3 1135 B18R2.1897 CCCC[C@H](C)OCc1cc2ccccc2s1 3230e845ef8d728c65429bd546ddabbf [0,0,1,0,0,0|3,0,0]=4 1136 B18R2.1897 CCCC[C@H](C)OCc1nc2ccccc2[nH]1 4b971981b5e1e5bb5d015daafc810e34 [0,0,1,0,0,0|3,0,0]=4 1137 B18R2.1897 CCCC[C@H](C)OCc1nc2ccccc2o1 5c86952102ec1e1aa6f67ef358c22a9f [0,0,1,0,0,0|2,1,0]=4 1138 B18R2.1897 CCCC[C@H](C)OCc1nc2ccccc2s1 4acf6969f37f1e482881ee87244544fe [0,0,1,0,0,0|2,0,0]=3 1139 B18R2.1897 CCOCC(C)OCc1nc2ccccc2s1 7a29f4b0ee96d57ab704750131b9932e [0,0,1,0,0,0|3,0,0]=4 1140 B18R2.1897 CN(CCCO)CSc1nc2ccccc2s1 ffec08d79067ba0adccd03d8788c3370 [0,0,1,0,0,0|3,0,0]=4 1141 B18R2.1897 COCCC(C)OCc1nc2ccccc2s1 108626f14a0f38aa17b75e626a0a7ae6 [0,0,1,0,0,0|3,0,0]=4 1142 B18R2.1897 COCCN(C)CSc1nc2ccccc2s1 897e60510943c6e0ce4c19c67c25af50 [0,0,1,0,0,0|3,0,0]=4 1143 B18R2.1897 CSCCC(C)OCc1nc2ccccc2s1 86e382e32ade452975a402a500b9fdf0 [0,0,1,0,0,0|3,0,0]=4 1144 B18R2.1897 CSCCN(C)CSc1nc2ccccc2s1 c856bc867ce1307d128e6565c2f22e82 [0,0,1,0,0,0|3,0,0]=4 1145 B18R2.1897 C[C@H](CCCO)CNc1nc2ccccc2s1 f094b7ee349f2ab1400bf94b8fc1489b [0,0,1,0,0,0|3,0,0]=4 1146 B18R2.1897 C[C@H](CCCO)NCc1cc2ccccc2s1 b0fffebf88b3b377782f02e384b1177a [0,0,1,0,0,0|3,0,0]=4 1147 B18R2.1897 C[C@H](CCCO)NCc1nc2ccccc2[nH]1 eb5d5693f1af3f20926a4612a0070777 [0,0,1,0,0,0|3,0,0]=4 1148 B18R2.1897 C[C@H](CCCO)NCc1nc2ccccc2o1 4ca951823f17f9b72d2483b94ee8ffdb [0,0,1,0,0,0|2,1,0]=4 1149 B18R2.1897 C[C@H](CCCO)NCc1nc2ccccc2s1 5f9010ded393514cd946fa5ce23684fe [0,0,1,0,0,0|2,0,0]=3 1150 B18R2.4165 CCC(CC#N)NCc1nc2ccccc2s1 f768a5dd912703e020e345a6bb22468b [0,0,1,0,0,0|2,0,1]=4 1151 B18R2.4165 CCC(COC)NCc1cc2ccccc2s1 08a3c6572ac0adbd51bdee9985653e34 [0,0,1,0,0,0|3,0,0]=4 1152 B18R2.4165 CCC(COC)NCc1nc2ccccc2[nH]1 7c9fcc02baeb59c2007bc24c79c51080 [0,0,1,0,0,0|3,0,0]=4 1153 B18R2.4165 CCC(COC)NCc1nc2ccccc2o1 c8c5fe374e8aea43068724f6245a1c12 [0,0,1,0,0,0|2,1,0]=4 1154 B18R2.4165 CCC(COC)NCc1nc2ccccc2s1 bcc50bbbf167567e3c36f9f0723a869e [0,0,1,0,0,0|2,0,0]=3 1155 B18R2.4165 CCC(COC)OCc1nc2ccccc2s1 e1dd8405c01b8f9363b594018544b559 [0,0,1,0,0,0|3,0,0]=4 1156 B18R2.4165 CCC(CSC)OCc1nc2ccccc2s1 739309af8d493ab8e1d8ea20a1251658 [0,0,1,0,0,0|3,0,0]=4 1157 B18R2.4165 CCCC(CC)NCc1cc2ccccc2[nH]1 480eb45653f19d17816b8f348fe90339 [0,0,1,0,0,0|2,0,1]=4 1158 B18R2.4165 CCCC(CC)NCc1cc2ccccc2o1 d2c88cfd1e155fbfc6a2159750f94d16 [0,0,1,0,0,0|2,1,0]=4 1159 B18R2.4165 CCCC(CC)NCc1cc2ccccc2s1 ba25ef82a8bc60c721c86969a4589106 [0,0,1,0,0,0|2,0,0]=3 1160 B18R2.4165 CCCC(CC)NCc1cc2ccccn2n1 590740f2377cbf79dabdb76ca98cb79c [0,0,1,0,0,0|3,0,0]=4 1161 B18R2.4165 CCCC(CC)NCc1cc2ncccc2s1 1f2e969bc5efd308310decdd38a407bd [0,0,1,0,0,0|3,0,0]=4 1162 B18R2.4165 CCCC(CC)NCc1cn2ccccc2n1 0d79acf4c3f1f764dff755e06d25f07f [0,0,1,0,0,0|3,0,0]=4 1163 B18R2.4165 CCCC(CC)NCc1nc2ccccc2[nH]1 ade6b279b7b4046cd147e65c1319d6d6 [0,0,1,0,0,0|2,0,0]=3 1164 B18R2.4165 CCCC(CC)NCc1nc2ccccc2o1 b428a71aa590728008e0159a01a16d7d [0,0,1,0,0,0|1,1,0]=3 1165 B18R2.4165 CCCC(CC)NCc1nc2ccccc2s1 2a503f29138b503d60bde534713fbd04 [0,0,1,0,0,0|1,0,0]=2 1166 B18R2.4165 CCCC(CC)NCc1nc2cccnc2o1 beebf301be1eae3859ad3f21df6e704f [0,0,1,0,0,0|2,1,0]=4 1167 B18R2.4165 CCCC(CC)OCc1cc2ccccc2s1 05deeac2ba0dd77674369411b9fe8729 [0,0,1,0,0,0|3,0,0]=4 1168 B18R2.4165 CCCC(CC)OCc1nc2ccccc2[nH]1 307af68948379fbff3d211f0b1e1761d [0,0,1,0,0,0|3,0,0]=4 1169 B18R2.4165 CCCC(CC)OCc1nc2ccccc2o1 95dfffcc432eadf1f240958762d1ff2b [0,0,1,0,0,0|2,1,0]=4 1170 B18R2.4165 CCCC(CC)OCc1nc2ccccc2s1 f23392378ce0f282715ad8d586176a0a [0,0,1,0,0,0|2,0,0]=3 1171 B18R2.4165 CCCC(CO)NCc1cc2ccccc2s1 559d443b9e00095057f74f8b4be8afdd [0,0,1,0,0,0|3,0,0]=4 1172 B18R2.4165 CCCC(CO)NCc1nc2ccccc2[nH]1 5b4cdb6cf5141c0018acd1968a3165fb [0,0,1,0,0,0|3,0,0]=4 1173 B18R2.4165 CCCC(CO)NCc1nc2ccccc2o1 77c5388dc91151f0e7a5810ed4278655 [0,0,1,0,0,0|2,1,0]=4 1174 B18R2.4165 CCCC(CO)NCc1nc2ccccc2s1 a73d4cb5cb67af31ce2370131bc72df3 [0,0,1,0,0,0|2,0,0]=3 1175 B18R2.4165 CCC[C@@H](CC)OCc1cc2ccccc2s1 d6047f38291469d488037c970e44a193 [0,0,1,0,0,0|3,0,0]=4 1176 B18R2.4165 CCC[C@@H](CC)OCc1nc2ccccc2[nH]1 5c1c03998843c936902265f36e1b38e0 [0,0,1,0,0,0|3,0,0]=4 1177 B18R2.4165 CCC[C@@H](CC)OCc1nc2ccccc2o1 929d14645918e8813cdc4d032b18fe15 [0,0,1,0,0,0|2,1,0]=4 1178 B18R2.4165 CCC[C@@H](CC)OCc1nc2ccccc2s1 dddeaf53f3474b8236b5051f79715638 [0,0,1,0,0,0|2,0,0]=3 1179 B18R2.4165 CCC[C@@H](CO)NCc1cc2ccccc2s1 090efbf2bb205e68717d69d471c6f8d1 [0,0,1,0,0,0|3,0,0]=4 1180 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2[nH]1 71a96addd3e2960ea46816102106504b [0,0,1,0,0,0|3,0,0]=4 1181 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2o1 2514c47e8e915003e941ccd5cd1c69d0 [0,0,1,0,0,0|2,1,0]=4 1182 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2s1 63ba36719d0d6a0bb2d27d786c84d0a8 [0,0,1,0,0,0|2,0,0]=3 1183 B18R2.4165 CCC[C@H](CO)NCc1cc2ccccc2s1 ed77671942471872f95ebc2ea6412fe7 [0,0,1,0,0,0|3,0,0]=4 1184 B18R2.4165 CCC[C@H](CO)NCc1nc2ccccc2[nH]1 58e1137d86d2a440c054b91c35c706f1 [0,0,1,0,0,0|3,0,0]=4 1185 B18R2.4165 CCC[C@H](CO)NCc1nc2ccccc2o1 f981f4e2a32b6c63266c35cd1a98899c [0,0,1,0,0,0|2,1,0]=4 1186 B18R2.4165 CCC[C@H](CO)NCc1nc2ccccc2s1 2f8d20049955259e39716022948cd72a [0,0,1,0,0,0|2,0,0]=3 1187 B18R2.4165 CCOC(CC)CNc1nc2ccccc2s1 2560bdffcd0c335efe67433a01261642 [0,0,1,0,0,0|3,0,0]=4 1188 B18R2.4165 CCOC(CC)COc1nc2ccccc2s1 467d0d6b853562cbf9c2b7e7a46ae68d [0,0,1,0,0,0|2,1,0]=4 1189 B18R2.4165 CC[C@@H](CC#N)NCc1nc2ccccc2s1 e6649afe130967067309feaee529056d [0,0,1,0,0,0|2,0,1]=4 1190 B18R2.4165 CC[C@H](CC#N)NCc1nc2ccccc2s1 4898640fcc571467ef277df75199d14b [0,0,1,0,0,0|2,0,1]=4 1191 B18R2.4165 COCC(CO)NCc1nc2ccccc2s1 1a838f79b538939a312e9d93e1c1f7c7 [0,0,1,0,0,0|3,0,0]=4 1192 B18R2.4165 CSCC(CO)NCc1nc2ccccc2s1 83a3411e6198c782a10c2e6215e6cfa0 [0,0,1,0,0,0|3,0,0]=4 1193 B18R2.4165 OCCC(CO)NCc1nc2ccccc2s1 424114e695277213b8cc42f0ec328055 [0,0,1,0,0,0|3,0,0]=4 1194 B18R2.4165 OCC[C@H](CO)NCc1nc2ccccc2s1 48efe93478c81149bfec92f17b181ac1 [0,0,1,0,0,0|3,0,0]=4 1195 B18R2.7339 BrCCNCCCSc1nc2ccccc2s1 b54f57eb9892237187c4a88a31d14808 [0,0,1,0,0,0|3,0,0]=4 1196 B18R2.7339 C#CCCCCNCc1nc2ccccc2s1 dc6c3d883ee4ab20a10cbc9f7e44b1f4 [0,0,1,0,0,0|1,0,2]=4 1197 B18R2.7339 C/C=C\CCCNCc1nc2ccccc2s1 6127c417dfaeb373eaa2356ab7d25b10 [0,0,1,0,0,0|1,0,2]=4 1198 B18R2.7339 C=CCCCCNCc1nc2ccccc2s1 61aec283e7f55e956c169e37d1f8f0c3 [0,0,1,0,0,0|1,0,2]=4 1199 B18R2.7339 CC/C=C\CCNCc1nc2ccccc2s1 02eb3ca1cac32cf239a48cfe0bd7f103 [0,0,1,0,0,0|1,0,2]=4 1200 B18R2.7339 CCC/C=C/CNCc1nc2ccccc2s1 cf6911183f41ce3d99bb7df3588055b7 [0,0,1,0,0,0|1,0,2]=4 1201 B18R2.7339 CCC/C=C\CNCc1nc2ccccc2s1 6e4d6a677ffe4852dfc31fc1058891ba [0,0,1,0,0,0|1,0,2]=4 1202 B18R2.7339 CCCCCCCNc1cc2ccccc2s1 b6c18d635dc195bd32d54d7fcd8b7374 [0,0,1,0,0,0|3,0,0]=4 1203 B18R2.7339 CCCCCCCNc1nc2ccccc2[nH]1 8be88f938402b80ac6359df3afe857cc [0,0,1,0,0,0|3,0,0]=4 1204 B18R2.7339 CCCCCCCNc1nc2ccccc2o1 9c5a3e60e51d0ba0b430bc5ffedd28d1 [0,0,1,0,0,0|2,1,0]=4 1205 B18R2.7339 CCCCCCCNc1nc2ccccc2s1 bc66587771a892856a0f11fee5d1a1f1 [0,0,1,0,0,0|2,0,0]=3 1206 B18R2.7339 CCCCCCCNc1nc2cccnc2s1 2c4e3e2b55cc9abb0ebd3f29094d3e36 [0,0,1,0,0,0|3,0,0]=4 1207 B18R2.7339 CCCCCCCNc1nc2ccncc2s1 ca5a65fad63d9eb0d9004504e4cd9736 [0,0,1,0,0,0|3,0,0]=4 1208 B18R2.7339 CCCCCCCNc1nc2cnccc2s1 d9f86bf7cd2a02166f8f68ecb24020b6 [0,0,1,0,0,0|3,0,0]=4 1209 B18R2.7339 CCCCCCCNc1nc2ncccc2s1 b6029ee5c169d235a9a5877aa503da10 [0,0,1,0,0,0|3,0,0]=4 1210 B18R2.7339 CCCCCCCOc1cc2ccccc2s1 9e5845210c97105961876799cee89221 [0,0,1,0,0,0|2,1,0]=4 1211 B18R2.7339 CCCCCCCOc1nc2ccccc2[nH]1 2f5b8bfbafc8549d60115e9973a7e7fe [0,0,1,0,0,0|2,1,0]=4 1212 B18R2.7339 CCCCCCCOc1nc2ccccc2s1 a7cbe0cd9b9d0e3ad075de251cf80872 [0,0,1,0,0,0|1,1,0]=3 1213 B18R2.7339 CCCCCCNCc1cc2ccccc2[nH]1 266da28110471f09388d2c61c1afa553 [0,0,1,0,0,0|2,0,1]=4 1214 B18R2.7339 CCCCCCNCc1cc2ccccc2o1 b2a9828cf3046ce40f22d0dfed21c054 [0,0,1,0,0,0|2,1,0]=4 1215 B18R2.7339 CCCCCCNCc1cc2ccccc2s1 a7cd2deda8af812a9e16fcb3aa0c580c [0,0,1,0,0,0|2,0,0]=3 1216 B18R2.7339 CCCCCCNCc1cc2ccccn2n1 d28cdc0f51365ad80324481703174702 [0,0,1,0,0,0|3,0,0]=4 1217 B18R2.7339 CCCCCCNCc1cc2ncccc2s1 27ceca47ad736d064883e89573f10c32 [0,0,1,0,0,0|3,0,0]=4 1218 B18R2.7339 CCCCCCNCc1cn2ccccc2n1 13304380f56f674071a5a043af54dc01 [0,0,1,0,0,0|3,0,0]=4 1219 B18R2.7339 CCCCCCNCc1nc2ccccc2[nH]1 fcbafb87e63b04fe072da084b4876693 [0,0,1,0,0,0|2,0,0]=3 1220 B18R2.7339 CCCCCCNCc1nc2ccccc2o1 63358f2c5f58fe34d41f3d7dea9f80f3 [0,0,1,0,0,0|1,1,0]=3 1221 B18R2.7339 CCCCCCNCc1nc2ccccc2s1 164eee6656fe997e1ed1a0ffc2d8da94 [0,0,1,0,0,0|1,0,0]=2 1222 B18R2.7339 CCCCCCNCc1nc2ccccn2n1 e9e242f2c4d99465b73bf2f2176256a4 [0,0,1,0,0,0|3,0,0]=4 1223 B18R2.7339 CCCCCCNCc1nc2cccnc2[nH]1 f67826e2496738ed8f678a28810aeaf8 [0,0,1,0,0,0|3,0,0]=4 1224 B18R2.7339 CCCCCCNCc1nc2cccnc2o1 e5eeb4d62b10252d69ba1a7604713cd7 [0,0,1,0,0,0|2,1,0]=4 1225 B18R2.7339 CCCCCCNCc1nc2ncccc2o1 5f88567c6d61eac211d85c68e0b3139b [0,0,1,0,0,0|2,1,0]=4 1226 B18R2.7339 CCCCCCOCc1cc2ccccc2s1 66fe3a8c4f964b861f9399e10f61fa71 [0,0,1,0,0,0|3,0,0]=4 1227 B18R2.7339 CCCCCCOCc1nc2ccccc2[nH]1 efe06af69719abe4321661d05e9477df [0,0,1,0,0,0|3,0,0]=4 1228 B18R2.7339 CCCCCCOCc1nc2ccccc2o1 869bd5c586241650010bf6828c43cff5 [0,0,1,0,0,0|2,1,0]=4 1229 B18R2.7339 CCCCCCOCc1nc2ccccc2s1 0c9cb5a1f22630f23888894af268f1fe [0,0,1,0,0,0|2,0,0]=3 1230 B18R2.7339 CCCCCNCCc1nc2ccccc2s1 fb7e6d7819adae67e91cfed9ae97d1e4 [0,0,1,0,0,0|3,0,0]=4 1231 B18R2.7339 CCCCCNCSc1nc2ccccc2s1 0f3450ab39ecc3a7d2284d5f8dba2f1e [0,0,1,0,0,0|2,0,0]=3 1232 B18R2.7339 CCCCCOCCc1nc2ccccc2s1 7fc75d10fe403655640da921b15c487b [0,0,1,0,0,0|3,0,0]=4 1233 B18R2.7339 CCCCCOCSc1nc2ccccc2s1 ebca50ec69b46d7a765648de53a78a7a [0,0,1,0,0,0|2,0,0]=3 1234 B18R2.7339 CCCCOCCNc1nc2ccccc2s1 0030d3fd9e0b72b48565d71a35584d9d [0,0,1,0,0,0|3,0,0]=4 1235 B18R2.7339 CCCCOCCOc1nc2ccccc2s1 5a8f878981a14922fc5b1266601f64a2 [0,0,1,0,0,0|2,1,0]=4 1236 B18R2.7339 CCCCOCCSc1nc2ccccc2o1 f59cd2192503fe4188ed01307c39ef8f [0,0,1,0,0,0|2,1,0]=4 1237 B18R2.7339 CCCCOCCSc1nc2ccccc2s1 248dee63506426930a5f30c65f6b75d4 [0,0,1,0,0,0|2,0,0]=3 1238 B18R2.7339 CCCCOCNCc1cc2ccccc2s1 d722ee3104cf73a4cc4f9eb79416ff44 [0,0,1,0,0,0|3,0,0]=4 1239 B18R2.7339 CCCCOCNCc1nc2ccccc2[nH]1 6a494f52236120731513f90c486a6091 [0,0,1,0,0,0|3,0,0]=4 1240 B18R2.7339 CCCCOCNCc1nc2ccccc2o1 73af3115e1d2da91d553624ac06f2fbb [0,0,1,0,0,0|2,1,0]=4 1241 B18R2.7339 CCCCOCNCc1nc2ccccc2s1 6cd185b81d102cda25e1116e5f2e8217 [0,0,1,0,0,0|2,0,0]=3 1242 B18R2.7339 CCCCOCOCc1nc2ccccc2s1 ca4dbc3ee0861ed2ac671e1caac0401c [0,0,1,0,0,0|3,0,0]=4 1243 B18R2.7339 CCCNCCCSc1nc2ccccc2s1 566a84e6af78cd68a9329c8633fe5570 [0,0,1,0,0,0|2,0,0]=3 1244 B18R2.7339 CCCOCCCNc1nc2ccccc2s1 91808b82bed0425e0c73c005d44df504 [0,0,1,0,0,0|3,0,0]=4 1245 B18R2.7339 CCCOCCCOc1nc2ccccc2s1 20e3b055bcc8462843da450f2f46cc24 [0,0,1,0,0,0|2,1,0]=4 1246 B18R2.7339 CCCOCCCSc1nc2ccccc2s1 6bbd1b73904110376d8965df4ea581b5 [0,0,1,0,0,0|2,0,0]=3 1247 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 8c1992b33b8450551ebae9b87ea6122a [0,0,1,0,0,0|3,0,0]=4 1248 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 61a7e70651a7706b88192f68e7a1ec54 [0,0,1,0,0,0|3,0,0]=4 1249 B18R2.7339 CCCOCCNCc1nc2ccccc2o1 3f5565df6ff7deefebadc59fb6cf6a92 [0,0,1,0,0,0|2,1,0]=4 1250 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 399febc7ba19da7aa3da1d70e19e0f76 [0,0,1,0,0,0|2,0,0]=3 1251 B18R2.7339 CCCOCCOCc1nc2ccccc2s1 f6a23e0a8df1c5f07de823d9e294bce8 [0,0,1,0,0,0|3,0,0]=4 1252 B18R2.7339 CCCSCCOCc1nc2ccccc2s1 f4b0b5be99a7a263d7a6a113ee00ed86 [0,0,1,0,0,0|3,0,0]=4 1253 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 c4a08fb9082feba8508d3ad276c5f79e [0,0,1,0,0,0|3,0,0]=4 1254 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 a08c4ce89ddaac6fe253750459563765 [0,0,1,0,0,0|3,0,0]=4 1255 B18R2.7339 CCOCCCNCc1nc2ccccc2o1 090de5253450b2d58aea95f6e750a226 [0,0,1,0,0,0|2,1,0]=4 1256 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 469daa7d1fea61df90ea5d1238767ade [0,0,1,0,0,0|2,0,0]=3 1257 B18R2.7339 CCOCCCOCc1nc2ccccc2s1 b6573bda723a8f7807b37925b56be9ea [0,0,1,0,0,0|3,0,0]=4 1258 B18R2.7339 CCOCCOCSc1nc2ccccc2s1 b2d118819fc5cda678ad40fdf45ffea6 [0,0,1,0,0,0|3,0,0]=4 1259 B18R2.7339 CCSCCCCNc1nc2ccccc2s1 62ec88f2e71dc049dbdda8af76fb1cef [0,0,1,0,0,0|3,0,0]=4 1260 B18R2.7339 CCSCCCNCc1cc2ccccc2s1 6a4a61374877c2159a49231baae4a54a [0,0,1,0,0,0|3,0,0]=4 1261 B18R2.7339 CCSCCCNCc1nc2ccccc2[nH]1 75944483587dd3a2460a6237ad9f24db [0,0,1,0,0,0|3,0,0]=4 1262 B18R2.7339 CCSCCCNCc1nc2ccccc2o1 aae603e3929a7e3d66c43df35d9da802 [0,0,1,0,0,0|2,1,0]=4 1263 B18R2.7339 CCSCCCNCc1nc2ccccc2s1 f601b332c2d5c730a908fc6f1a4f1e62 [0,0,1,0,0,0|2,0,0]=3 1264 B18R2.7339 CCSCCCOCc1nc2ccccc2s1 55663cce18f31a38519a6617aac2cc5a [0,0,1,0,0,0|3,0,0]=4 1265 B18R2.7339 CCSCCNCSc1nc2ccccc2s1 4de38e9a3c5da33ea376b67f658de746 [0,0,1,0,0,0|3,0,0]=4 1266 B18R2.7339 CCSCCOCSc1nc2ccccc2s1 70599e85a9a690875e3c48e876c80b1c [0,0,1,0,0,0|3,0,0]=4 1267 B18R2.7339 COCCCCCNc1nc2ccccc2s1 d9483f23084ce7b7e32e7bc2b2e39892 [0,0,1,0,0,0|3,0,0]=4 1268 B18R2.7339 COCCCCCOc1nc2ccccc2s1 0dae09768278f534bd6e81c57cb0314a [0,0,1,0,0,0|2,1,0]=4 1269 B18R2.7339 COCCCCNCc1cc2ccccc2s1 dd1a4e4c6cbc4705dd10a3794495e7bd [0,0,1,0,0,0|3,0,0]=4 1270 B18R2.7339 COCCCCNCc1nc2ccccc2[nH]1 9b8c56121a2f26138e287ec87acf827a [0,0,1,0,0,0|3,0,0]=4 1271 B18R2.7339 COCCCCNCc1nc2ccccc2o1 df000e3d24d76f6416d547c92d317656 [0,0,1,0,0,0|2,1,0]=4 1272 B18R2.7339 COCCCCNCc1nc2ccccc2s1 e6ad273de0bf7e2808dd5d5cf45e3e90 [0,0,1,0,0,0|2,0,0]=3 1273 B18R2.7339 COCCCCOCc1nc2ccccc2s1 eaf322d379612da84612f70f32d07f9d [0,0,1,0,0,0|3,0,0]=4 1274 B18R2.7339 COCCCNCSc1nc2ccccc2s1 cf1313488538bf0a5c60db9713f90e65 [0,0,1,0,0,0|3,0,0]=4 1275 B18R2.7339 COCCCOCSc1nc2ccccc2s1 8e42585b3703758a0041dcbde32cd864 [0,0,1,0,0,0|3,0,0]=4 1276 B18R2.7339 COCCOCCSc1nc2ccccc2s1 c232073e536416f26bbb738854a9c06e [0,0,1,0,0,0|3,0,0]=4 1277 B18R2.7339 COCCOCNCc1nc2ccccc2s1 e4816d8199d614fe8ecfeaed652ab5b1 [0,0,1,0,0,0|3,0,0]=4 1278 B18R2.7339 COCOCCCSc1nc2ccccc2s1 77cd0f1d2a4cb38db43d898b32d32176 [0,0,1,0,0,0|3,0,0]=4 1279 B18R2.7339 COCOCCNCc1nc2ccccc2s1 9c172273a1c206cb53a9d05e4883f34d [0,0,1,0,0,0|3,0,0]=4 1280 B18R2.7339 CSCCCCNCc1cc2ccccc2s1 7fe327426f09fde3d5c8a5052f2590c7 [0,0,1,0,0,0|3,0,0]=4 1281 B18R2.7339 CSCCCCNCc1nc2ccccc2[nH]1 2d1841b18b4d6ca5f71276a3b66f4570 [0,0,1,0,0,0|3,0,0]=4 1282 B18R2.7339 CSCCCCNCc1nc2ccccc2o1 d5459376de03981090f3f45326a37d08 [0,0,1,0,0,0|2,1,0]=4 1283 B18R2.7339 CSCCCCNCc1nc2ccccc2s1 274c2c3ce4f923d685c9b80cc0f5bea2 [0,0,1,0,0,0|2,0,0]=3 1284 B18R2.7339 CSCCCCOCc1nc2ccccc2s1 6b3d6e4a67f60839867b35894dd96f08 [0,0,1,0,0,0|3,0,0]=4 1285 B18R2.7339 CSCCCNCSc1nc2ccccc2s1 b7df8f4a02bf2b81793d860eb87bb496 [0,0,1,0,0,0|3,0,0]=4 1286 B18R2.7339 CSCCCOCSc1nc2ccccc2s1 714fc3b6eea6c03c79ff80775838f7b3 [0,0,1,0,0,0|3,0,0]=4 1287 B18R2.7339 CSCCOCCSc1nc2ccccc2s1 b9e2c6ec9ec23ba9a7d5635b43658c22 [0,0,1,0,0,0|3,0,0]=4 1288 B18R2.7339 ClCCCCCCNc1nc2ccccc2s1 c5ed80f51f43e6c3df92d56e9b5f2aaf [0,0,1,0,0,0|3,0,0]=4 1289 B18R2.7339 ClCCCCCNCc1cc2ccccc2s1 44911e05aaddc0d5c98abe7f8e94a596 [0,0,1,0,0,0|3,0,0]=4 1290 B18R2.7339 ClCCCCCNCc1nc2ccccc2[nH]1 1065b9e842a3d653c4d1374107688c6a [0,0,1,0,0,0|3,0,0]=4 1291 B18R2.7339 ClCCCCCNCc1nc2ccccc2o1 28d1057565515c3fa46f78d3e072bae5 [0,0,1,0,0,0|2,1,0]=4 1292 B18R2.7339 ClCCCCCNCc1nc2ccccc2s1 c54347c82412e4840f0cdef6188e0219 [0,0,1,0,0,0|2,0,0]=3 1293 B18R2.7339 ClCCCCNCSc1nc2ccccc2s1 01826a46efa13dfe2dc1207b97485d83 [0,0,1,0,0,0|3,0,0]=4 1294 B18R2.7339 FCCCCCCNc1nc2ccccc2s1 11ddf0a2fa5a3c88346417523504378a [0,0,1,0,0,0|3,0,0]=4 1295 B18R2.7339 FCCCCCCOc1nc2ccccc2s1 be3d4f2caa319e2a62cc839feff28271 [0,0,1,0,0,0|2,1,0]=4 1296 B18R2.7339 FCCCCCNCc1cc2ccccc2s1 e39248ac4e049bc6766061b1285580d5 [0,0,1,0,0,0|3,0,0]=4 1297 B18R2.7339 FCCCCCNCc1nc2ccccc2[nH]1 c20ebfb7a52af6a322d90238e0138284 [0,0,1,0,0,0|3,0,0]=4 1298 B18R2.7339 FCCCCCNCc1nc2ccccc2o1 9a19404a7cbdb6873cebb63adaac440f [0,0,1,0,0,0|2,1,0]=4 1299 B18R2.7339 FCCCCCNCc1nc2ccccc2s1 d293dd80230611de8bf676ac7f877833 [0,0,1,0,0,0|2,0,0]=3 1300 B18R2.7339 FCCCCCOCc1nc2ccccc2s1 c55c73a37b491ffb9226e1aae2841c2c [0,0,1,0,0,0|3,0,0]=4 1301 B18R2.7339 FCCCCOCSc1nc2ccccc2s1 5d52124a4ec5d930901bcce033a99db7 [0,0,1,0,0,0|3,0,0]=4 1302 B18R2.7339 FCCCOCCSc1nc2ccccc2s1 2042916dc5ea14e6fb7f70b5fdd03332 [0,0,1,0,0,0|3,0,0]=4 1303 B18R2.7339 FCCNCCCSc1nc2ccccc2s1 cfcf0a50acd285dbe64a50672c3b5c20 [0,0,1,0,0,0|3,0,0]=4 1304 B18R2.7339 FCCOCCCSc1nc2ccccc2s1 3b0d1d516129ace040e2dbba0867ffd0 [0,0,1,0,0,0|3,0,0]=4 1305 B18R2.7339 ICCNCCCSc1nc2ccccc2s1 f19f3b26cb3ba317a5654e25a46da1de [0,0,1,0,0,0|3,0,0]=4 1306 B18R2.7339 N#CCCCCNCc1nc2ccccc2s1 0fee37259b9be2416bb943bcdb800009 [0,0,1,0,0,0|2,0,1]=4 1307 B18R2.7339 NOCCCCNCc1nc2ccccc2s1 947c63ef8b7f9797527cd15035c5a706 [0,0,1,0,0,0|3,0,0]=4 1308 B18R2.7339 O=CCCCCNCc1nc2ccccc2s1 52c1765e3279aa99c8aa3157cb27518d [0,0,1,0,0,0|2,0,1]=4 1309 B18R2.7339 OCCCCCCNc1nc2ccccc2s1 d5ef51e8130fe1ecf1a9cfb3e61020c1 [0,0,1,0,0,0|3,0,0]=4 1310 B18R2.7339 OCCCCCNCc1cc2ccccc2s1 a0e44673f1622ab84dea5f2a5d0545cc [0,0,1,0,0,0|3,0,0]=4 1311 B18R2.7339 OCCCCCNCc1nc2ccccc2[nH]1 1ec74684f7791f10b6f0c625a06d0ae7 [0,0,1,0,0,0|3,0,0]=4 1312 B18R2.7339 OCCCCCNCc1nc2ccccc2o1 062fdf79feba9ecf34196a1ee811ef00 [0,0,1,0,0,0|2,1,0]=4 1313 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 d861358bbfd01a7ee85ae8b36caca5dc [0,0,1,0,0,0|2,0,0]=3 1314 B18R2.7339 OCCCCNCSc1nc2ccccc2s1 f15681947fb9ace01d813e59fd8b9c66 [0,0,1,0,0,0|3,0,0]=4 1315 B18R2.7339 OCCNCCCSc1nc2ccccc2s1 1943b12a602e56a58544efaef9c36e6d [0,0,1,0,0,0|3,0,0]=4 1316 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 34f14a15a0385e16d43f9ca0209df72b [0,0,1,0,0,0|3,0,0]=4 1317 B18R2.7339 OCCSCCNCc1nc2ccccc2s1 c946c43f39be5e439d2a30e10f7c8822 [0,0,1,0,0,0|3,0,0]=4 1318 B18R2.7339 SCCCCNCSc1nc2ccccc2s1 ce9eb9644414dd0c7d4c55b39dcd76f2 [0,0,1,0,0,0|3,0,0]=4 1319 B18R2.7339 SCCCCOCSc1nc2ccccc2s1 4d6dffb6070e92d59fee6cec1bc1c046 [0,0,1,0,0,0|3,0,0]=4 1320 B18R2.7339 SCCCOCCSc1nc2ccccc2s1 b5ed6ea2c43ee7ee438141101c8d2cb4 [0,0,1,0,0,0|3,0,0]=4 1321 B18R2.7339 SCCNCCCSc1nc2ccccc2s1 ae117cdd6a6a4485261b69efc315dfad [0,0,1,0,0,0|3,0,0]=4 1322 B18R2.7339 SCCOCCCSc1nc2ccccc2s1 046f14beeafc02a0b6a320e09910bd8c [0,0,1,0,0,0|3,0,0]=4 1323 B18R2.7339 SCCOCCNCc1nc2ccccc2s1 fc9049f1694877521dfaa271ea0cdaf8 [0,0,1,0,0,0|3,0,0]=4 1324 B20R4.38945 c1ccc2[nH]c(nc2c1)CN3C4C3CCCC4 3368b5823e8169b8cb72baf10114f072 [0,0,0,1,0,0|2,0,0]=3 1325 B20R4.38945 c1ccc2oc(nc2c1)CN3C4C3CCCC4 0a158be57b6843ba79f4dbbca4c9677a [0,0,0,1,0,0|1,1,0]=3 1326 B20R4.38945 c1ccc2sc(cc2c1)CN3C4C3CCCC4 eea3015052d9c6839d315b83dba897d8 [0,0,0,1,0,0|2,0,0]=3 1327 B20R4.38945 c1ccc2sc(nc2c1)CN3C4C3CCCC4 9e77b5f537daebb9825cd060c6fb4162 [0,0,0,1,0,0|1,0,0]=2 1328 B20R4.38945 c1ccn2cc(nc2c1)CN3C4C3CCCC4 dbe324d00d3f556cf811f8a7b4f98dfb [0,0,0,1,0,0|3,0,0]=4 1329 B20R4.38945 c1ccn2nc(nc2c1)CN3C4C3CCCC4 f9c91eb19aa90b8df21f4528ea689e01 [0,0,0,1,0,0|3,0,0]=4 1330 B20R4.38945 c1cnc2[nH]c(nc2c1)CN3C4C3CCCC4 04ac8fbd232fb65f7824eba3e743d040 [0,0,0,1,0,0|3,0,0]=4 1331 B20R4.38945 c1cnc2nc(oc2c1)CN3C4C3CCCC4 9b2d07db6308d99c2a0710989e5d83c8 [0,0,0,1,0,0|2,1,0]=4 1332 B20R4.1699972 c1ccc2[nH]c(nc2c1)COC3CC4CC4C3 e6cba53edccab4669eb9da647d002bfe [0,0,0,1,0,0|3,0,0]=4 1333 B20R4.1699972 c1ccc2[nH]c(nc2c1)COC3C[C@@H]4C[C@@H]4C3 896fbec173d4846e22fbf2cb46df7d8f [0,0,0,1,0,0|3,0,0]=4 1334 B20R4.1699972 c1ccc2[nH]c(nc2c1)CO[C@@H]3C[C@@H]4C[C@@H]4C3 c53be7fa686fe9070e0ec885f3ee8f22 [0,0,0,1,0,0|3,0,0]=4 1335 B20R4.1699972 c1ccc2[nH]c(nc2c1)CO[C@H]3C[C@@H]4C[C@@H]4C3 cd43561cff45b71b998186ed62ae8cc1 [0,0,0,1,0,0|3,0,0]=4 1336 B20R4.1699972 c1ccc2oc(nc2c1)COC3CC4CC4C3 f3ba30d1618202bc50fcc09c1516a6c3 [0,0,0,1,0,0|2,1,0]=4 1337 B20R4.1699972 c1ccc2oc(nc2c1)COC3C[C@@H]4C[C@@H]4C3 2ea429de5bbd9458f9e8f07d8ea6f1e5 [0,0,0,1,0,0|2,1,0]=4 1338 B20R4.1699972 c1ccc2oc(nc2c1)CO[C@@H]3C[C@@H]4C[C@@H]4C3 5a3f2a945a230ec33ee63f0cc64e530f [0,0,0,1,0,0|2,1,0]=4 1339 B20R4.1699972 c1ccc2oc(nc2c1)CO[C@H]3C[C@@H]4C[C@@H]4C3 0a430f30a43e625abac08afca9b78267 [0,0,0,1,0,0|2,1,0]=4 1340 B20R4.1699972 c1ccc2sc(cc2c1)COC3CC4CC4C3 7b1e15283ee7cbb82253224d4d027d6f [0,0,0,1,0,0|3,0,0]=4 1341 B20R4.1699972 c1ccc2sc(cc2c1)COC3C[C@@H]4C[C@@H]4C3 7716ed1b497985094388e3607e4823fd [0,0,0,1,0,0|3,0,0]=4 1342 B20R4.1699972 c1ccc2sc(cc2c1)CO[C@@H]3C[C@@H]4C[C@@H]4C3 012b920474a5a0c8c263af85e404503e [0,0,0,1,0,0|3,0,0]=4 1343 B20R4.1699972 c1ccc2sc(cc2c1)CO[C@H]3C[C@@H]4C[C@@H]4C3 4e5887117cb7fa4cec1490afe92bdcf1 [0,0,0,1,0,0|3,0,0]=4 1344 B20R4.1699972 c1ccc2sc(nc2c1)COC3CC4CC4C3 2a7e0bbc7ae0a2922cc17d787d6f6590 [0,0,0,1,0,0|2,0,0]=3 1345 B20R4.1699972 c1ccc2sc(nc2c1)COC3C[C@@H]4C[C@@H]4C3 d29776078b7c86aad1f6d4bea1dd7ed5 [0,0,0,1,0,0|2,0,0]=3 1346 B20R4.1699972 c1ccc2sc(nc2c1)CO[C@@H]3C[C@@H]4C[C@@H]4C3 d4abf2619148ce3d4b3663f445d487ad [0,0,0,1,0,0|2,0,0]=3 1347 B20R4.1699972 c1ccc2sc(nc2c1)CO[C@H]3C[C@@H]4C[C@@H]4C3 659669fef023d82701460a17c6f65e7e [0,0,0,1,0,0|2,0,0]=3 1348 B20R4.1699972 c1ccc2sc(nc2c1)SCN3CC4CC4C3 8cbbe718c8042ab1cb7abe10d01914bf [0,0,0,1,0,0|2,0,0]=3 1349 B20R4.5824701 c1ccc2sc(nc2c1)SCN3C4C3CCC4 a3a5d9fad43f40ff5e17bf88372c93e8 [0,0,0,1,0,0|2,0,0]=3 1350 B20R4.7553715 c1cc2sc(nc2cn1)NC3C4CCC3CC4 f40c004701a066a51e7f63470d97a234 [0,0,0,1,0,0|3,0,0]=4 1351 B20R4.7553715 c1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 8fd64c536645c1326e029304bce8edfe [0,0,0,1,0,0|2,0,0]=3 1352 B20R4.7553715 c1ccc2[nH]c(nc2c1)CN3[C@H]4CC[C@@H]3CC4 158bce5463e6f36a0ef70ceb172e9b86 [0,0,0,1,0,0|2,0,0]=3 1353 B20R4.7553715 c1ccc2[nH]c(nc2c1)NC3C4CCC3CC4 1f15fa545fd1e756fc344d1d7bb433c3 [0,0,0,1,0,0|3,0,0]=4 1354 B20R4.7553715 c1ccc2[nH]c(nc2c1)OC3C4CCC3CC4 2e0bf96fb8d60f5c1c69c7241ea1b3c1 [0,0,0,1,0,0|2,1,0]=4 1355 B20R4.7553715 c1ccc2oc(nc2c1)CN3C4CCC3CC4 2764203d06d7e31d3a1e2962cc4f3215 [0,0,0,1,0,0|1,1,0]=3 1356 B20R4.7553715 c1ccc2oc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 d4173d930e8c530bd9f7f3374e226418 [0,0,0,1,0,0|1,1,0]=3 1357 B20R4.7553715 c1ccc2oc(nc2c1)NC3C4CCC3CC4 21c8cea5a6b66dad33245a700e4756d7 [0,0,0,1,0,0|2,1,0]=4 1358 B20R4.7553715 c1ccc2sc(cc2c1)CN3C4CCC3CC4 9672fd73b4dff3c62e28ef54becfdd29 [0,0,0,1,0,0|2,0,0]=3 1359 B20R4.7553715 c1ccc2sc(cc2c1)CN3[C@H]4CC[C@@H]3CC4 95046fe90f6e307376e29c24323a962d [0,0,0,1,0,0|2,0,0]=3 1360 B20R4.7553715 c1ccc2sc(nc2c1)CN3C4CCC3CC4 e75935af7061bb9d201a62e2718a077b [0,0,0,1,0,0|1,0,0]=2 1361 B20R4.7553715 c1ccc2sc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 7c91913c0534c0545f845b48b8bfed3c [0,0,0,1,0,0|1,0,0]=2 1362 B20R4.7553715 c1ccn2cc(nc2c1)CN3C4CCC3CC4 a290aff875c8adf61f8237f2c8058611 [0,0,0,1,0,0|3,0,0]=4 1363 B20R4.7553715 c1ccn2cc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 ae2bd289ae23a150299bcf939382e0f9 [0,0,0,1,0,0|3,0,0]=4 1364 B20R4.7553715 c1ccn2nc(nc2c1)CN3C4CCC3CC4 2907144610be41701725661d98a02b9c [0,0,0,1,0,0|3,0,0]=4 1365 B20R4.7553715 c1ccn2nc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 aef0efa23a4cb6be8c20ce4b8bbab04f [0,0,0,1,0,0|3,0,0]=4 1366 B20R4.7553715 c1cnc2[nH]c(nc2c1)CN3C4CCC3CC4 e278720e3491c24fa135d1014556450c [0,0,0,1,0,0|3,0,0]=4 1367 B20R4.7553715 c1cnc2[nH]c(nc2c1)CN3[C@H]4CC[C@@H]3CC4 6d152dc877bffe6e68cd5f909968e744 [0,0,0,1,0,0|3,0,0]=4 1368 B20R4.7553715 c1cnc2nc(oc2c1)CN3C4CCC3CC4 2ee4e4b586bb945c803cbefef9a92830 [0,0,0,1,0,0|2,1,0]=4 1369 B20R4.7553715 c1cnc2nc(oc2c1)CN3[C@H]4CC[C@@H]3CC4 f8e49238007b5c73d216986dce767852 [0,0,0,1,0,0|2,1,0]=4 1370 B20R4.7553723 c1ccc2[nH]c(nc2c1)COC3CCC4C3C4 6c7eb6365456078d25b6b174552b3b7a [0,0,0,1,0,0|3,0,0]=4 1371 B20R4.7553723 c1ccc2[nH]c(nc2c1)CO[C@@H]3CC[C@@H]4[C@H]3C4 0c45c61a3cdf33b7c4901d73c1feb9bb [0,0,0,1,0,0|3,0,0]=4 1372 B20R4.7553723 c1ccc2oc(nc2c1)COC3CCC4C3C4 e7da2490dd2f31a59449183d8e50b669 [0,0,0,1,0,0|2,1,0]=4 1373 B20R4.7553723 c1ccc2oc(nc2c1)CO[C@@H]3CC[C@@H]4[C@H]3C4 ad454847eb69161c20299fb8e89e8386 [0,0,0,1,0,0|2,1,0]=4 1374 B20R4.7553723 c1ccc2sc(cc2c1)COC3CCC4C3C4 05e0eb4ce298d446aeeaa263ae3330e0 [0,0,0,1,0,0|3,0,0]=4 1375 B20R4.7553723 c1ccc2sc(cc2c1)CO[C@@H]3CC[C@@H]4[C@H]3C4 6967311e832294ed5fc828d3abdd2361 [0,0,0,1,0,0|3,0,0]=4 1376 B20R4.7553723 c1ccc2sc(nc2c1)COC3CCC4C3C4 fcafbf4c4bb52fe442e71cf4132cb0d6 [0,0,0,1,0,0|2,0,0]=3 1377 B20R4.7553723 c1ccc2sc(nc2c1)CO[C@@H]3CC[C@@H]4[C@H]3C4 43c9154225169dbcec9132c0105de548 [0,0,0,1,0,0|2,0,0]=3 1378 B20R4.7553723 c1ccc2sc(nc2c1)SCN3CCC4C3C4 adb16b10059699f400f92bc81c3bb5a2 [0,0,0,1,0,0|2,0,0]=3 1379 B20R4.39303774 c1ccc2[nH]c(nc2c1)CN3C4COCC3C4 82b259027d3879b989344b0a7223b69b [0,0,0,1,0,0|3,0,0]=4 1380 B20R4.39303774 c1ccc2oc(nc2c1)CN3C4COCC3C4 56ed92fd6f02b06ec8af72836e28a26b [0,0,0,1,0,0|2,1,0]=4 1381 B20R4.39303774 c1ccc2sc(cc2c1)CN3C4COCC3C4 575906f61eb41329314b45004076feae [0,0,0,1,0,0|3,0,0]=4 1382 B20R4.39303774 c1ccc2sc(nc2c1)CN3C4COCC3C4 f057f12ddee7862fb92540dc20283895 [0,0,0,1,0,0|2,0,0]=3 1383 B18R3.2100 c1ccc2c(c1)CC2CNC3CCCCC3 c237c159cdceaa47cf2e4823f8df0f5c [0,0,0,0,1,0|2,0,1]=4 1384 B18R3.12728 C1=CCC(C1)NCc2nc3ccccc3s2 bd0b8fa7219450f69e67740523090529 [0,0,0,0,1,0|1,0,2]=4 1385 B18R3.12728 c1cc2nc(sc2cn1)NCC3CCCC3 6db8d2af2b30ccb72e8ea71527b4829f [0,0,0,0,1,0|3,0,0]=4 1386 B18R3.12728 c1cc2sc(nc2cn1)NCC3CCCC3 2edf28cf6871e54d7bd544356ffd7320 [0,0,0,0,1,0|3,0,0]=4 1387 B18R3.12728 c1ccc2[nH]c(cc2c1)CNC3CCCC3 ff37326d0b46a7a14927519d759ee94d [0,0,0,0,1,0|2,0,1]=4 1388 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 c2b00cbca88177d515530e5913678cb9 [0,0,0,0,1,0|2,0,0]=3 1389 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCOC3 84593027a9c393e91558d0a59f38fcd5 [0,0,0,0,1,0|3,0,0]=4 1390 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCSC3 00ca6c51dfe0fcbba9811eb494f9c231 [0,0,0,0,1,0|3,0,0]=4 1391 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 90a53206b40c1a5cf60a77e1513e0006 [0,0,0,0,1,0|3,0,0]=4 1392 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 f41df302a19c197e1a479c4e3ec4f06d [0,0,0,0,1,0|3,0,0]=4 1393 B18R3.12728 c1ccc2[nH]c(nc2c1)COC3CCCC3 c983881d47bc923fe6a1a4a6a88387b3 [0,0,0,0,1,0|3,0,0]=4 1394 B18R3.12728 c1ccc2[nH]c(nc2c1)NCC3CCCC3 48c6710d9204d61b996095abe26d5043 [0,0,0,0,1,0|3,0,0]=4 1395 B18R3.12728 c1ccc2[nH]c(nc2c1)OCC3CCCC3 ecace873e92685ca937f1781698ec51c [0,0,0,0,1,0|2,1,0]=4 1396 B18R3.12728 c1ccc2oc(cc2c1)CNC3CCCC3 07181e1b802eac39ba677b70f1ce138b [0,0,0,0,1,0|2,1,0]=4 1397 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCCC3 af4bda65241746b9feeba9476a7e7c29 [0,0,0,0,1,0|1,1,0]=3 1398 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCOC3 f3137f5ebae3ece8c6b5d05a9107e4d9 [0,0,0,0,1,0|2,1,0]=4 1399 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCSC3 ac3a86b82c4d69a18dbfa39c8add3275 [0,0,0,0,1,0|2,1,0]=4 1400 B18R3.12728 c1ccc2oc(nc2c1)CN[C@@H]3CCOC3 1c4908b6125ad92016a738dcf6cd24d9 [0,0,0,0,1,0|2,1,0]=4 1401 B18R3.12728 c1ccc2oc(nc2c1)CN[C@H]3CCOC3 111d2cdf22a3b5c62cb86330e10ceb3a [0,0,0,0,1,0|2,1,0]=4 1402 B18R3.12728 c1ccc2oc(nc2c1)COC3CCCC3 b43696056ed0f82f94081ae38489a0d2 [0,0,0,0,1,0|2,1,0]=4 1403 B18R3.12728 c1ccc2oc(nc2c1)NCC3CCCC3 ebc50c9339f7f55b3168a6a0832b41f5 [0,0,0,0,1,0|2,1,0]=4 1404 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCCC3 6e40b19046006c5038fc81e44cf0dbeb [0,0,0,0,1,0|2,0,0]=3 1405 B18R3.12728 c1ccc2sc(cc2c1)COC3CCCC3 65f86d10f9bc273a0302ddb8bc5112fc [0,0,0,0,1,0|3,0,0]=4 1406 B18R3.12728 c1ccc2sc(cc2c1)NCC3CCCC3 2d920233c35362e4d0f2a02fbd5d51bf [0,0,0,0,1,0|3,0,0]=4 1407 B18R3.12728 c1ccc2sc(cc2c1)OCC3CCCC3 0fac92a08579ed400cf41ca0b0ab7cbb [0,0,0,0,1,0|2,1,0]=4 1408 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 da6143cb82cca2461a25bf9996a54c90 [0,0,0,0,1,0|1,0,0]=2 1409 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCOC3 a18f7324a17329083d9cda77f7150c92 [0,0,0,0,1,0|2,0,0]=3 1410 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCSC3 e2d58360bfa5c363f04be145942c446a [0,0,0,0,1,0|2,0,0]=3 1411 B18R3.12728 c1ccc2sc(nc2c1)CN[C@@H]3CCOC3 bf6448c02302b2b91fb74ac64603aee8 [0,0,0,0,1,0|2,0,0]=3 1412 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 1280eae3a0ee9ea48a5ec62ae57519f6 [0,0,0,0,1,0|2,0,0]=3 1413 B18R3.12728 c1ccc2sc(nc2c1)COC3CCCC3 1ccb21e62c0778a2509ff207783035e1 [0,0,0,0,1,0|2,0,0]=3 1414 B18R3.12728 c1ccc2sc(nc2c1)COC3CCCO3 17034ddcafe4ca4d580a5fe632006194 [0,0,0,0,1,0|3,0,0]=4 1415 B18R3.12728 c1ccc2sc(nc2c1)COC3CCOC3 af57ce3326f6b04009bf121eb805c84b [0,0,0,0,1,0|3,0,0]=4 1416 B18R3.12728 c1ccc2sc(nc2c1)COC3CCSC3 6d36597b2a26f00b1db4bd25b57c206b [0,0,0,0,1,0|3,0,0]=4 1417 B18R3.12728 c1ccc2sc(nc2c1)CO[C@@H]3CCOC3 588920305dd36e754bd3a4143e142c45 [0,0,0,0,1,0|3,0,0]=4 1418 B18R3.12728 c1ccc2sc(nc2c1)CO[C@@H]3CCSC3 fb2bb8a7d99fabef58b6469c76944a76 [0,0,0,0,1,0|3,0,0]=4 1419 B18R3.12728 c1ccc2sc(nc2c1)CO[C@H]3CCOC3 996a75141dd9057009a0fa4fa373b634 [0,0,0,0,1,0|3,0,0]=4 1420 B18R3.12728 c1ccc2sc(nc2c1)CO[C@H]3CCSC3 7d9779085743822c9e747361b46251ac [0,0,0,0,1,0|3,0,0]=4 1421 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCCC3 b9047fdbc299689cc53fe15e81f5bd7f [0,0,0,0,1,0|2,0,0]=3 1422 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCCO3 1281b32bc3acc392818b98cc3b356eab [0,0,0,0,1,0|3,0,0]=4 1423 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCOC3 1a80abb3249a8db1049c0c92efb0f6f2 [0,0,0,0,1,0|3,0,0]=4 1424 B18R3.12728 c1ccc2sc(nc2c1)OCC3CCCC3 159190c46151b6f72e08c1a779ae961c [0,0,0,0,1,0|1,1,0]=3 1425 B18R3.12728 c1ccc2sc(nc2c1)OCC3CCCO3 920adb626532762e55104afe757a7ed6 [0,0,0,0,1,0|2,1,0]=4 1426 B18R3.12728 c1ccc2sc(nc2c1)OCC3CCOC3 b062ff6b381095938e6c72af0ecedc67 [0,0,0,0,1,0|2,1,0]=4 1427 B18R3.12728 c1ccc2sc(nc2c1)SCN3CCSC3 7961b86246fe551db64085b2f60f0f7a [0,0,0,0,1,0|3,0,0]=4 1428 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 f00a5f7805abe1548d0aabba30cf9423 [0,0,0,0,1,0|3,0,0]=4 1429 B18R3.12728 c1ccn2nc(cc2c1)CNC3CCCC3 b111358a05ccc5ebd412cbd4839bc1c7 [0,0,0,0,1,0|3,0,0]=4 1430 B18R3.12728 c1cnc2[nH]c(nc2c1)CNC3CCCC3 0b7a06afe306ad2b1ab608c8f885a360 [0,0,0,0,1,0|3,0,0]=4 1431 B18R3.12728 c1cnc2cc(sc2c1)CNC3CCCC3 f5aabf0db3bcb1dad73e6247c3c448ab [0,0,0,0,1,0|3,0,0]=4 1432 B18R3.12728 c1cnc2nc(oc2c1)CNC3CCCC3 8a868fc19215f51ca5717146efae3526 [0,0,0,0,1,0|2,1,0]=4 1433 B18R3.12728 c1cnc2nc(sc2c1)NCC3CCCC3 ebcadcd0e92b436a3a41d37d0d79c919 [0,0,0,0,1,0|3,0,0]=4 1434 B18R3.12728 c1cnc2oc(nc2c1)CNC3CCCC3 87985afb3ec44279867d8caa8e84a327 [0,0,0,0,1,0|2,1,0]=4 1435 B18R3.12728 c1cnc2sc(nc2c1)NCC3CCCC3 d77dc5af03df376154d4fc34d3fe906d [0,0,0,0,1,0|3,0,0]=4 1436 B18R3.12830 c1cc2sc(nc2s1)NCC3CCCCC3 50757d20996a02bb0f2270938d50c0fc [0,0,0,0,1,0|3,0,0]=4 1437 B18R3.12875 C1=CC(CCC1)Nc2nc3ccccc3[nH]2 48fa2a0142ffa23b5c67af0b129acf73 [0,0,0,0,1,0|1,0,2]=4 1438 B18R3.12875 C1=CC(CCC1)Nc2nc3ccccc3o2 2b2c2edf4c994851d3ec8316be3fa512 [0,0,0,0,1,0|0,1,2]=4 1439 B18R3.12875 C1=CC(CCC1)Nc2nc3ccccc3s2 8527c2756563c8968646bd72299bb9cb [0,0,0,0,1,0|0,0,2]=3 1440 B18R3.12875 C1=CC(CCC1)Nc2nc3cccnc3s2 8e945e792364b95dbfc653c8489571a7 [0,0,0,0,1,0|1,0,2]=4 1441 B18R3.12875 C1=CC(CCC1)Nc2nc3ccncc3s2 b8b39f589bb90b21977760191883e0a5 [0,0,0,0,1,0|1,0,2]=4 1442 B18R3.12875 C1=CC(CCC1)Nc2nc3cnccc3s2 7d6a5f5b4190cd18b632eb3234c9ef3d [0,0,0,0,1,0|1,0,2]=4 1443 B18R3.12875 C1=CC(CCC1)Nc2nc3ncccc3s2 35946a968f826a3f9ff82219fdf80f24 [0,0,0,0,1,0|1,0,2]=4 1444 B18R3.12875 C1=CC(CCC1)Oc2nc3ccccc3s2 f706d9c039424a19b983bf22ffaa3ef7 [0,0,0,0,1,0|0,1,2]=4 1445 B18R3.12875 c1cc2[nH]c(nc2cn1)NC3CCCCC3 b1369a3d857191a9ef6e31c649ba4cbe [0,0,0,0,1,0|2,0,0]=3 1446 B18R3.12875 c1cc2[nH]c(nc2cn1)NC3CCCCO3 51040f712cf52d632c764dec25cca259 [0,0,0,0,1,0|3,0,0]=4 1447 B18R3.12875 c1cc2nc(oc2cn1)NC3CCCCC3 fb1fe0862d64954218198aa01d65b0ad [0,0,0,0,1,0|1,1,0]=3 1448 B18R3.12875 c1cc2nc(oc2cn1)NC3CCCCO3 845d1af81e8cfc18cf9d167601e52ce3 [0,0,0,0,1,0|2,1,0]=4 1449 B18R3.12875 c1cc2nc(oc2cn1)NC3CCOCC3 197c8735eefc49d7e0df22742e3a520d [0,0,0,0,1,0|2,1,0]=4 1450 B18R3.12875 c1cc2nc(oc2cn1)NC3CCSCC3 766f9a45d8939bc69b47e64c37418703 [0,0,0,0,1,0|2,1,0]=4 1451 B18R3.12875 c1cc2oc(nc2cn1)NC3CCCCC3 cfa4358f33e5e607a7437ae25d995fb9 [0,0,0,0,1,0|1,1,0]=3 1452 B18R3.12875 c1cc2oc(nc2cn1)NC3CCCCO3 9af4312605b674848a1c0421d9f3e3a1 [0,0,0,0,1,0|2,1,0]=4 1453 B18R3.12875 c1cc2oc(nc2cn1)NC3CCOCC3 f08a998adaf6ce6971fbd0f4638d59ce [0,0,0,0,1,0|2,1,0]=4 1454 B18R3.12875 c1cc2oc(nc2cn1)NC3CCSCC3 8fe6b24796ec100debf00dfad53eecfa [0,0,0,0,1,0|2,1,0]=4 1455 B18R3.12875 c1cc2sc(cc2cn1)NC3CCOCC3 1e723720680a5954ac2b33b9c95a63b4 [0,0,0,0,1,0|3,0,0]=4 1456 B18R3.12875 c1cc2sc(nc2cn1)NC3CCCCC3 f20a24a9e03a39a00840516f421e2723 [0,0,0,0,1,0|1,0,0]=2 1457 B18R3.12875 c1cc2sc(nc2cn1)NC3CCCCO3 106ac22eb917862a5866fa2b88b3c062 [0,0,0,0,1,0|2,0,0]=3 1458 B18R3.12875 c1cc2sc(nc2cn1)NC3CCOCC3 42b4c9d2c830b31a0704d94632d36574 [0,0,0,0,1,0|2,0,0]=3 1459 B18R3.12875 c1cc2sc(nc2cn1)NC3CCSCC3 e008955fbc336f71d7d3f1839a7c16a6 [0,0,0,0,1,0|2,0,0]=3 1460 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCCCC3 a824e62fd2fcaa728da2e52d6ea32e0a [0,0,0,0,1,0|1,0,0]=2 1461 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCCCO3 2ed76d0cd0eed10cdb2c669d4f1af435 [0,0,0,0,1,0|2,0,0]=3 1462 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCOCC3 20a3556a831c2222d8d14155fc2c3b78 [0,0,0,0,1,0|2,0,0]=3 1463 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCSCC3 f4a8c52fdbd9386f1a5c5a688c3fd7bb [0,0,0,0,1,0|2,0,0]=3 1464 B18R3.12875 c1ccc2[nH]c(nc2c1)OC3CCCCC3 71c2a3be066427725f89fa77847c8252 [0,0,0,0,1,0|1,1,0]=3 1465 B18R3.12875 c1ccc2[nH]c(nc2c1)OC3CCCCO3 c33c0f423bbcfa986a84867d1d7f2a06 [0,0,0,0,1,0|2,1,0]=4 1466 B18R3.12875 c1ccc2[nH]c(nc2c1)OC3CCOCC3 53d86b18e0ce370bce8c6bbe35217030 [0,0,0,0,1,0|2,1,0]=4 1467 B18R3.12875 c1ccc2[nH]c(nc2c1)OC3CCSCC3 09095d1bde6e302f8954771109e050cb [0,0,0,0,1,0|2,1,0]=4 1468 B18R3.12875 c1ccc2oc(cc2c1)NC3CCCOC3 a412a854dd76e743af4d65f6c095e75c [0,0,0,0,1,0|2,1,0]=4 1469 B18R3.12875 c1ccc2oc(cc2c1)NC3CCOCC3 9e69e226b502683d314d4dc6fe64e99c [0,0,0,0,1,0|2,1,0]=4 1470 B18R3.12875 c1ccc2oc(cc2c1)N[C@@H]3CCCOC3 e8e670ee4bf45692d01f810e92ff41de [0,0,0,0,1,0|2,1,0]=4 1471 B18R3.12875 c1ccc2oc(cc2c1)N[C@H]3CCCOC3 a06fdb871b80768b7f71c342c8406767 [0,0,0,0,1,0|2,1,0]=4 1472 B18R3.12875 c1ccc2oc(nc2c1)NC3CCCCC3 7f7b1b317ec3346951c0480fc8edf8e8 [0,0,0,0,1,0|0,1,0]=2 1473 B18R3.12875 c1ccc2oc(nc2c1)NC3CCCCO3 466f86104f8484181ae05aaa01df79ee [0,0,0,0,1,0|1,1,0]=3 1474 B18R3.12875 c1ccc2oc(nc2c1)NC3CCCOC3 2a42e1292f5e89c7a45b360813f11973 [0,0,0,0,1,0|1,1,0]=3 1475 B18R3.12875 c1ccc2oc(nc2c1)NC3CCOCC3 cfd777b1e67f514c9718dc68c3f0ed96 [0,0,0,0,1,0|1,1,0]=3 1476 B18R3.12875 c1ccc2oc(nc2c1)NC3CCSCC3 d35cdfca84b886f230912c61a97f9723 [0,0,0,0,1,0|1,1,0]=3 1477 B18R3.12875 c1ccc2oc(nc2c1)NC3CSCSC3 969dcfa957866f7eefd20c264d11d10a [0,0,0,0,1,0|2,1,0]=4 1478 B18R3.12875 c1ccc2oc(nc2c1)N[C@@H]3CCCOC3 206050227b2769f33b1c48fa48f3649d [0,0,0,0,1,0|1,1,0]=3 1479 B18R3.12875 c1ccc2oc(nc2c1)N[C@H]3CCCOC3 5cb15cb4e141ecf3a3d2eb7246df1dfe [0,0,0,0,1,0|1,1,0]=3 1480 B18R3.12875 c1ccc2sc(cc2c1)NC3CCOCC3 49019af7e48734b878e991e2ba96c871 [0,0,0,0,1,0|2,0,0]=3 1481 B18R3.12875 c1ccc2sc(cc2c1)NC3CSCSC3 a6ba20e3b0ff6d0017ad916a8e4b74ee [0,0,0,0,1,0|3,0,0]=4 1482 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 755aa202649ce8bf88eec873f4bcce25 [0,0,0,0,1,0|3,0,0]=4 1483 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCSC3 2fc454550c49012bb04ed8b08d8eab6d [0,0,0,0,1,0|3,0,0]=4 1484 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 49c7640d0f94a47c1d719609308f7237 [0,0,0,0,1,0|3,0,0]=4 1485 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 602cbb3c356fe3a1020bc383726a69b2 [0,0,0,0,1,0|3,0,0]=4 1486 B18R3.12875 c1ccn2cc(nc2c1)NC3CCCCC3 505f7e716b73e104e6f48afe344abb51 [0,0,0,0,1,0|2,0,0]=3 1487 B18R3.12875 c1ccn2cc(nc2c1)NC3CCCCO3 6b0cbea3c9c828596b2f6cb08b5158e0 [0,0,0,0,1,0|3,0,0]=4 1488 B18R3.12875 c1ccn2cc(nc2c1)NC3CCCOC3 7a7c725298f33f0956cd3bec46e2f396 [0,0,0,0,1,0|3,0,0]=4 1489 B18R3.12875 c1ccn2cc(nc2c1)NC3CCOCC3 b152887e20f82fc904046653ebd86df8 [0,0,0,0,1,0|3,0,0]=4 1490 B18R3.12875 c1ccn2cc(nc2c1)NC3CCSCC3 2304eb4c307d1abb822edfaeac046484 [0,0,0,0,1,0|3,0,0]=4 1491 B18R3.12875 c1ccn2cc(nc2c1)N[C@@H]3CCCOC3 b1ce9a85e4de93c39fae3b2f44f43dc8 [0,0,0,0,1,0|3,0,0]=4 1492 B18R3.12875 c1ccn2cc(nc2c1)N[C@H]3CCCOC3 ba1b2fb60c2804822e7f2eb09c4dfc0d [0,0,0,0,1,0|3,0,0]=4 1493 B18R3.12875 c1ccn2cc(nc2c1)OC3CCCCC3 3e7047b0ab158f38bc66b5259a906446 [0,0,0,0,1,0|2,1,0]=4 1494 B18R3.12875 c1ccn2nc(cc2c1)NC3CCCCC3 4bbafc1396765227d646cc766d82ab77 [0,0,0,0,1,0|2,0,0]=3 1495 B18R3.12875 c1ccn2nc(cc2c1)NC3CCCCO3 b8be1772c2860315807bde7771063f7d [0,0,0,0,1,0|3,0,0]=4 1496 B18R3.12875 c1ccn2nc(cc2c1)NC3CCCOC3 21f14589740f152be3fba7ee393a5611 [0,0,0,0,1,0|3,0,0]=4 1497 B18R3.12875 c1ccn2nc(cc2c1)NC3CCOCC3 b869d2a58ed152aec090ce0dbc93d0e2 [0,0,0,0,1,0|3,0,0]=4 1498 B18R3.12875 c1ccn2nc(cc2c1)NC3CCSCC3 d6228ef3f1dd659e26c19e385bfd4b58 [0,0,0,0,1,0|3,0,0]=4 1499 B18R3.12875 c1ccn2nc(cc2c1)N[C@@H]3CCCOC3 dfc8f84ea43e094b2f612f0fee3289b6 [0,0,0,0,1,0|3,0,0]=4 1500 B18R3.12875 c1ccn2nc(cc2c1)N[C@H]3CCCOC3 ab7173d01aa4a72a49d6c439e66a399a [0,0,0,0,1,0|3,0,0]=4 1501 B18R3.12875 c1ccn2nc(cc2c1)OC3CCCCC3 e2a726d1bde66085ce704258d22290a8 [0,0,0,0,1,0|2,1,0]=4 1502 B18R3.12875 c1ccn2nc(nc2c1)NC3CCCCC3 76742705085130b8dd9dc57230ae3b6b [0,0,0,0,1,0|2,0,0]=3 1503 B18R3.12875 c1ccn2nc(nc2c1)NC3CCCCO3 4ef1b30347c5b62156152ecac3f1877e [0,0,0,0,1,0|3,0,0]=4 1504 B18R3.12875 c1ccn2nc(nc2c1)NC3CCCOC3 9e1f94a88ed17155e1d48d57c63a721f [0,0,0,0,1,0|3,0,0]=4 1505 B18R3.12875 c1ccn2nc(nc2c1)NC3CCOCC3 43f4433705bcd94eb837e3e3f6466b0c [0,0,0,0,1,0|3,0,0]=4 1506 B18R3.12875 c1ccn2nc(nc2c1)NC3CCSCC3 2f203e2854df1d31b291881f84bc9472 [0,0,0,0,1,0|3,0,0]=4 1507 B18R3.12875 c1ccn2nc(nc2c1)N[C@@H]3CCCOC3 f22ae8852376a4f25b9913a4b9a92cc8 [0,0,0,0,1,0|3,0,0]=4 1508 B18R3.12875 c1ccn2nc(nc2c1)N[C@H]3CCCOC3 7aaa83be53566d301c12aa0a53086f95 [0,0,0,0,1,0|3,0,0]=4 1509 B18R3.12875 c1cn2cc(nc2cn1)NC3CCCCC3 8d88f7ede75be0dab1c4360690f94112 [0,0,0,0,1,0|3,0,0]=4 1510 B18R3.12875 c1cn2nc(nc2cn1)NC3CCCCC3 d2f4cb3858c1ee19e9cc635a75b9a404 [0,0,0,0,1,0|3,0,0]=4 1511 B18R3.12875 c1cnc2nc([nH]c2c1)NC3CCCCC3 c0fb20146cfa94e66c3425dcfb9d8fd2 [0,0,0,0,1,0|2,0,0]=3 1512 B18R3.12875 c1cnc2nc([nH]c2c1)NC3CCCCO3 b986b2da49415caa6ff0a7683bf2546d [0,0,0,0,1,0|3,0,0]=4 1513 B18R3.12875 c1cnc2nc([nH]c2c1)NC3CCCOC3 92b2a1df49fe5e1ccba2e4cf348820fa [0,0,0,0,1,0|3,0,0]=4 1514 B18R3.12875 c1cnc2nc([nH]c2c1)NC3CCOCC3 53ba2b280b077d68d467b66c9fac974d [0,0,0,0,1,0|3,0,0]=4 1515 B18R3.12875 c1cnc2nc(nn2c1)NC3CCCCC3 418433af2b9a5e575bba9e1d963d667d [0,0,0,0,1,0|3,0,0]=4 1516 B18R3.12875 c1cnc2nc(oc2c1)NC3CCCCC3 2b6049cb7353365fb3b6a8a9a933cf6b [0,0,0,0,1,0|1,1,0]=3 1517 B18R3.12875 c1cnc2nc(oc2c1)NC3CCCCO3 8d38c72ac525407f3d25563fe45bd67e [0,0,0,0,1,0|2,1,0]=4 1518 B18R3.12875 c1cnc2nc(oc2c1)NC3CCCOC3 3c993dcf1f3bba5e2f9ea03408281853 [0,0,0,0,1,0|2,1,0]=4 1519 B18R3.12875 c1cnc2nc(oc2c1)NC3CCOCC3 b5f54319d02886ef1708d1a523516d4d [0,0,0,0,1,0|2,1,0]=4 1520 B18R3.12875 c1cnc2nc(oc2c1)NC3CCSCC3 ec6f4f0b854c48c5c6c5d25abb6c2ee6 [0,0,0,0,1,0|2,1,0]=4 1521 B18R3.12875 c1cnc2nc(oc2c1)N[C@@H]3CCCOC3 6a2de07d8cdd7a11629cf4a893456344 [0,0,0,0,1,0|2,1,0]=4 1522 B18R3.12875 c1cnc2nc(oc2c1)N[C@H]3CCCOC3 a1f880c6507652ea7109a3a95e6d331c [0,0,0,0,1,0|2,1,0]=4 1523 B18R3.12875 c1cnc2nc(sc2c1)NC3CCCCC3 8414da0d01e1bbe9a63a1299fc70a579 [0,0,0,0,1,0|1,0,0]=2 1524 B18R3.12875 c1cnc2nc(sc2c1)NC3CCCCO3 98703bd28964ebbb372a75c4c0a30e77 [0,0,0,0,1,0|2,0,0]=3 1525 B18R3.12875 c1cnc2nc(sc2c1)NC3CCOCC3 949edf20f0fbb96e1586a238482ce3b3 [0,0,0,0,1,0|2,0,0]=3 1526 B18R3.12875 c1cnc2oc(nc2c1)NC3CCCCC3 22d4973342060297f723009e42a67c65 [0,0,0,0,1,0|1,1,0]=3 1527 B18R3.12875 c1cnc2oc(nc2c1)NC3CCCCO3 2482990268d284b5ea3736d7aa916202 [0,0,0,0,1,0|2,1,0]=4 1528 B18R3.12875 c1cnc2oc(nc2c1)NC3CCCOC3 e2cd9393ada5a85e12d9042977ef5baa [0,0,0,0,1,0|2,1,0]=4 1529 B18R3.12875 c1cnc2oc(nc2c1)NC3CCOCC3 b148b30097c8cee06ee105feb710a2bb [0,0,0,0,1,0|2,1,0]=4 1530 B18R3.12875 c1cnc2oc(nc2c1)NC3CCSCC3 75ef8dcee2c08923a27ece6db2d06638 [0,0,0,0,1,0|2,1,0]=4 1531 B18R3.12875 c1cnc2oc(nc2c1)N[C@@H]3CCCOC3 84c0de5a9396b9ca518858508ab81e52 [0,0,0,0,1,0|2,1,0]=4 1532 B18R3.12875 c1cnc2oc(nc2c1)N[C@H]3CCCOC3 751be215d74398d97ea64a808c903a7c [0,0,0,0,1,0|2,1,0]=4 1533 B18R3.12875 c1cnc2sc(cc2c1)NC3CCOCC3 6ac367fabb7b46ebb557301b6feab224 [0,0,0,0,1,0|3,0,0]=4 1534 B18R3.12875 c1cnc2sc(nc2c1)NC3CCCCC3 01d29d754c75abb4eec617efd9dbc1c9 [0,0,0,0,1,0|1,0,0]=2 1535 B18R3.12875 c1cnc2sc(nc2c1)NC3CCCCO3 4f87e87c6e4fd015c0739d4ddf6ccabd [0,0,0,0,1,0|2,0,0]=3 1536 B18R3.12875 c1cnc2sc(nc2n1)NC3CCCCC3 95507e55e321598dd05a5643decfdc60 [0,0,0,0,1,0|2,0,0]=3 1537 B18R3.12875 c1cnc2sc(nc2n1)NC3CCCCO3 f5eb8edb2e5dcc7f83544c94052fa095 [0,0,0,0,1,0|3,0,0]=4 1538 B18R3.12875 c1cnc2sc(nc2n1)NC3CCOCC3 98c57fbe88d7c28e5a2d2086298d30ea [0,0,0,0,1,0|3,0,0]=4 1539 B20R3.30190 c1cc2ncc(cc2cn1)CNC3CCCCC3 40040cb47aa0c0993e9db757c53ad93e [0,0,0,0,0,1|3,0,0]=4 1540 B20R3.30190 c1ccc2[nH]/c(=N/OC3CCCCC3)/cnc2c1 55bdba4d488a2a5807789184c7074a9f [0,0,0,0,0,1|3,0,0]=4 1541 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 cc92ce96cc39c836803ce5c45191dbb8 [0,0,0,0,0,1|3,0,0]=4 1542 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCC3 65ce36d8e6d7d4420f225f99d0cead34 [0,0,0,0,0,1|2,0,0]=3 1543 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCO3 5f059ae25b72d928a47cc36c72cf1678 [0,0,0,0,0,1|3,0,0]=4 1544 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCOCC3 ab915f0b78521836d4455df0ba45de3e [0,0,0,0,0,1|3,0,0]=4 1545 B20R3.30190 c1ccc2cc(ncc2c1)COC3CCCCC3 806b46c46e6c92a15a2821726ecf3878 [0,0,0,0,0,1|3,0,0]=4 1546 B20R3.30190 c1ccc2cc(ncc2c1)NCC3CCCCC3 c35301fed887deb89f7189d32a945d19 [0,0,0,0,0,1|3,0,0]=4 1547 B20R3.30190 c1ccc2cc(ncc2c1)OCC3CCCCC3 3dd4bbc89e5f36682346ccd11307db92 [0,0,0,0,0,1|2,1,0]=4 1548 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCC3 034906144cacdbac8cf750634d47d6e5 [0,0,0,0,0,1|2,0,0]=3 1549 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCO3 2cf5532931993463880c416ccdb2dc17 [0,0,0,0,0,1|3,0,0]=4 1550 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCOC3 373f2ace6d4c83ec47c18056c34daf1a [0,0,0,0,0,1|3,0,0]=4 1551 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCOCC3 45a873832a4141bf0f23ee6744b91cdc [0,0,0,0,0,1|3,0,0]=4 1552 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCSCC3 3356510b97759ff44622408d9491eff6 [0,0,0,0,0,1|3,0,0]=4 1553 B20R3.30190 c1ccc2nc(ccc2c1)CN[C@@H]3CCCOC3 4e8b567f1894a2483e407f88801f1697 [0,0,0,0,0,1|3,0,0]=4 1554 B20R3.30190 c1ccc2nc(ccc2c1)CN[C@H]3CCCOC3 b96875050f3f2469992f15a24fb6cf51 [0,0,0,0,0,1|3,0,0]=4 1555 B20R3.30190 c1ccc2nc(ccc2c1)COC3CCCCC3 3117c4d31bd2f8ab770cf140bf015960 [0,0,0,0,0,1|3,0,0]=4 1556 B20R3.30190 c1ccc2nc(ccc2c1)NCC3CCCCC3 85a306a3caea43414f732bb0bade39ec [0,0,0,0,0,1|3,0,0]=4 1557 B20R3.30190 c1ccc2nc(ccc2c1)OCC3CCCCC3 2d1ebe1314003b20fe3564011a0a57c8 [0,0,0,0,0,1|2,1,0]=4 1558 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCCC3 8bdb330d62c895864909ba4c92a4ca92 [0,0,0,0,0,1|2,0,0]=3 1559 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCCO3 ce61cfa991241e235dbf0e87b7b903e4 [0,0,0,0,0,1|3,0,0]=4 1560 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCOC3 077cc0ca0bfd4d53561cb4240c89bebd [0,0,0,0,0,1|3,0,0]=4 1561 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCOCC3 23fe25138b4699fac5acc207623370bc [0,0,0,0,0,1|3,0,0]=4 1562 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCSCC3 2878754249cc9b79919849a3e0cf2856 [0,0,0,0,0,1|3,0,0]=4 1563 B20R3.30190 c1ccc2nc(cnc2c1)CN[C@@H]3CCCOC3 830759a006c3ff80fbe42a20fe2ee08a [0,0,0,0,0,1|3,0,0]=4 1564 B20R3.30190 c1ccc2nc(cnc2c1)CN[C@H]3CCCOC3 371168f882a25b11b9e886ad01beae57 [0,0,0,0,0,1|3,0,0]=4 1565 B20R3.30190 c1ccc2nc(cnc2c1)COC3CCCCC3 f902325b5d31bf549e8b60db0a26b393 [0,0,0,0,0,1|3,0,0]=4 1566 B20R3.30190 c1ccc2nc(cnc2c1)NCC3CCCCC3 1287bff6545e984cc5ca3dc1fce0d906 [0,0,0,0,0,1|3,0,0]=4 1567 B20R3.30190 c1ccc2nc(cnc2c1)OCC3CCCCC3 9250c24020e498356a89c645aed860fd [0,0,0,0,0,1|2,1,0]=4 1568 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCCOC3 0ea2651a5e74e4f55c1efb0b58421628 [0,0,0,0,0,1|3,0,0]=4 1569 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCOCC3 8052d617e25cef5b326e0a52bee9dbcb [0,0,0,0,0,1|3,0,0]=4 1570 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCSCC3 3d2c81187276a308a2c77bfc4f16bffd [0,0,0,0,0,1|3,0,0]=4 1571 B20R3.30190 c1ccc2nc(ncc2c1)CN[C@@H]3CCCOC3 94282915bf55bbeb6d0e777335af3e8d [0,0,0,0,0,1|3,0,0]=4 1572 B20R3.30190 c1ccc2nc(ncc2c1)CN[C@H]3CCCOC3 a6e00b3381e330c7d1d36d33ba8d54b9 [0,0,0,0,0,1|3,0,0]=4 1573 B20R3.30190 c1ccc2nc(ncc2c1)COC3CCCCC3 385a3a4f49bc40a91d68bc500a0ace49 [0,0,0,0,0,1|3,0,0]=4 1574 B20R3.30190 c1ccc2nc(ncc2c1)NCC3CCCCC3 a0cda7925bd3994356a78b51cc683efb [0,0,0,0,0,1|3,0,0]=4 1575 B20R3.30190 c1ccc2nc(ncc2c1)OCC3CCCCC3 619e32ccb2a7cb4a35fd0f67b8fee98a [0,0,0,0,0,1|2,1,0]=4 1576 B20R3.30190 c1ccc2nc(nnc2c1)NCC3CCCCC3 c3865c99107ed16666ff01908906d495 [0,0,0,0,0,1|3,0,0]=4 1577 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCC3 7bacf56cb1bd2e56c8e14be61329e8aa [0,0,0,0,0,1|2,0,0]=3 1578 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCO3 13de14e71d1f71266e695f00e71cfd80 [0,0,0,0,0,1|3,0,0]=4 1579 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCOC3 61316b4a8195f7263939abf9b478267f [0,0,0,0,0,1|3,0,0]=4 1580 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCOCC3 b2ca5b7de7c2a3160a9543d1554c9115 [0,0,0,0,0,1|3,0,0]=4 1581 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCSCC3 c8065ce3fdc5d8097e85f6053bca8258 [0,0,0,0,0,1|3,0,0]=4 1582 B20R3.30190 c1ccc2ncc(cc2c1)CN[C@@H]3CCCOC3 bab464087b08ea612f1d31b02cbfdb44 [0,0,0,0,0,1|3,0,0]=4 1583 B20R3.30190 c1ccc2ncc(cc2c1)CN[C@H]3CCCOC3 da8ee1ec84603118870db1807488c783 [0,0,0,0,0,1|3,0,0]=4 1584 B20R3.30190 c1ccc2ncc(cc2c1)COC3CCCCC3 b19725391b800d3e457c0d81e300585e [0,0,0,0,0,1|3,0,0]=4 1585 B20R3.30190 c1ccc2ncc(cc2c1)NCC3CCCCC3 9ab95bad8067d7ef2f36ebe6120f9a05 [0,0,0,0,0,1|3,0,0]=4 1586 B20R3.30190 c1ccc2ncc(cc2c1)OCC3CCCCC3 4ced608320fe94fdc2b483d0c89c86e8 [0,0,0,0,0,1|2,1,0]=4 1587 B20R3.30190 c1ccc2nnc(cc2c1)NCC3CCCCC3 2982d1b06b2febed0084e2573173c9e3 [0,0,0,0,0,1|3,0,0]=4 1588 B20R3.30260 C1=C(CCCC1)CNCc2nc3ccccc3s2 e2112af48d0fc7cf06879f5909b47584 [0,0,0,0,0,1|1,0,2]=4 1589 B20R3.30260 C1=CC(CCC1)NCCc2nc3ccccc3s2 ff4d3459f7b89a63fd14fcb214c31218 [0,0,0,0,0,1|1,0,2]=4 1590 B20R3.30260 C1=CC(CCC1)NCSc2nc3ccccc3s2 6536b2fde241c69f73f70e57c0ead577 [0,0,0,0,0,1|0,0,2]=3 1591 B20R3.30260 C1=CC(CCC1)OCSc2nc3ccccc3s2 55ad117b39d7b6ea519ee2a7fabadd39 [0,0,0,0,0,1|1,0,2]=4 1592 B20R3.30260 C1=CCC(CC1)CNCc2nc3ccccc3s2 3e49fea2f270559d932b27f130abf957 [0,0,0,0,0,1|1,0,2]=4 1593 B20R3.30260 C1=CCC(CC1)OCSc2nc3ccccc3s2 a5a0775d588f6d26123f13bf4b7acebe [0,0,0,0,0,1|1,0,2]=4 1594 B20R3.30260 c1cc2nc(sc2cn1)NCCC3CCCCC3 72f35674738f2ffce568d174302e42b6 [0,0,0,0,0,1|3,0,0]=4 1595 B20R3.30260 c1cc2nc(sc2cn1)NCOC3CCCCC3 43cc96a4ab7a1a446e1d2ee3ef283724 [0,0,0,0,0,1|3,0,0]=4 1596 B20R3.30260 c1cc2sc(nc2cn1)NCCC3CCCCC3 b8a385a0b0e1c58f5fa6b12f7192bce6 [0,0,0,0,0,1|3,0,0]=4 1597 B20R3.30260 c1cc2sc(nc2cn1)NCOC3CCCCC3 a851f696a79f1f49e2f399d30ca52f14 [0,0,0,0,0,1|3,0,0]=4 1598 B20R3.30260 c1ccc2[nH]c(cc2c1)CNCC3CCCCC3 7f26576434bc1693198fe9b5fa4044ce [0,0,0,0,0,1|2,0,1]=4 1599 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCCC3 92ecf9c7308d93c417555dba96965beb [0,0,0,0,0,1|2,0,0]=3 1600 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCCO3 873e45b39e5aed1fbeaf1cc35ebced75 [0,0,0,0,0,1|3,0,0]=4 1601 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCOC3 781fa05db554629c12ef7fd0f9d41099 [0,0,0,0,0,1|3,0,0]=4 1602 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCOCC3 e864e01743e60bc5b60b417a1d6848ac [0,0,0,0,0,1|3,0,0]=4 1603 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCSCC3 8e0816018162c7c8c9df80f7a1d5f55d [0,0,0,0,0,1|3,0,0]=4 1604 B20R3.30260 c1ccc2[nH]c(nc2c1)CCN[C@@H]3CCCOC3 b8da17220204e69690543855387d78ad [0,0,0,0,0,1|3,0,0]=4 1605 B20R3.30260 c1ccc2[nH]c(nc2c1)CCN[C@H]3CCCOC3 06872d1609b26df3441ff86cbe698d66 [0,0,0,0,0,1|3,0,0]=4 1606 B20R3.30260 c1ccc2[nH]c(nc2c1)CCOC3CCCCC3 cc46dac82690ca2929473ed838e80eed [0,0,0,0,0,1|3,0,0]=4 1607 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCC3 179b744aae3b01f66254196daa844371 [0,0,0,0,0,1|2,0,0]=3 1608 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCO3 00ad99614e1a0c22609c8e169bc6980a [0,0,0,0,0,1|3,0,0]=4 1609 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCOC3 c226ef31bdd2e466376bfe97d490c27e [0,0,0,0,0,1|3,0,0]=4 1610 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCOCC3 db03300e6da4e2b0dab66200f3555f68 [0,0,0,0,0,1|3,0,0]=4 1611 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCSCC3 f3acd2123ba7605139298fb271905229 [0,0,0,0,0,1|3,0,0]=4 1612 B20R3.30260 c1ccc2[nH]c(nc2c1)CNC[C@@H]3CCCOC3 4e8b3de9346840733afd783de07e155b [0,0,0,0,0,1|3,0,0]=4 1613 B20R3.30260 c1ccc2[nH]c(nc2c1)CNC[C@H]3CCCOC3 dce7edfd7127655dd30226a271c97476 [0,0,0,0,0,1|3,0,0]=4 1614 B20R3.30260 c1ccc2[nH]c(nc2c1)COCC3CCCCC3 106a08c7b77270dca027959a4de1f3f0 [0,0,0,0,0,1|2,1,0]=4 1615 B20R3.30260 c1ccc2[nH]c(nc2c1)NCCC3CCCCC3 56abc0a749773efc76301550dae9c89d [0,0,0,0,0,1|3,0,0]=4 1616 B20R3.30260 c1ccc2[nH]c(nc2c1)NCOC3CCCCC3 ed4a65a5c3a314878f7436e1c8c26257 [0,0,0,0,0,1|3,0,0]=4 1617 B20R3.30260 c1ccc2[nH]c(nc2c1)OCCC3CCCCC3 0fef2dddbbe7e0e2bb15ef9ad26a5c6b [0,0,0,0,0,1|2,1,0]=4 1618 B20R3.30260 c1ccc2[nH]c(nc2c1)OCOC3CCCCC3 2080eab55fec66cd7c3cc0f01c407ce1 [0,0,0,0,0,1|2,1,0]=4 1619 B20R3.30260 c1ccc2nn(nc2c1)CCNC3CCCCC3 53749cccbc2bccfb2610bf1e6450332e [0,0,0,0,0,1|3,0,0]=4 1620 B20R3.30260 c1ccc2oc(cc2c1)CNCC3CCCCC3 f549a1c7bb52aa5b1c09997e0029f428 [0,0,0,0,0,1|2,1,0]=4 1621 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCC3 8aea6b67fd33a2708e5af96c910fdc35 [0,0,0,0,0,1|1,1,0]=3 1622 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCO3 9cfdd8f493cc97da06866a2ea11b6b6f [0,0,0,0,0,1|2,1,0]=4 1623 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCOC3 fe73df90a9324d1b216813db2220e1ce [0,0,0,0,0,1|2,1,0]=4 1624 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCOCC3 1ff65ef2a114e3aea8b4b44f631594a7 [0,0,0,0,0,1|2,1,0]=4 1625 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCSCC3 4026e2fe278ade9f37ce5fa5d74d55b0 [0,0,0,0,0,1|2,1,0]=4 1626 B20R3.30260 c1ccc2oc(nc2c1)CNC[C@@H]3CCCOC3 0f45f11f2749fd965a3e563890254c9b [0,0,0,0,0,1|2,1,0]=4 1627 B20R3.30260 c1ccc2oc(nc2c1)CNC[C@H]3CCCOC3 8cbf045e6bb9851ff285add1096c4f2e [0,0,0,0,0,1|2,1,0]=4 1628 B20R3.30260 c1ccc2oc(nc2c1)COCC3CCCCC3 cfe42b7b97944f005b008c01a2ffe3fb [0,0,0,0,0,1|1,2,0]=4 1629 B20R3.30260 c1ccc2oc(nc2c1)NCCC3CCCCC3 876a4c3502fad7790c64ad8f4f90c437 [0,0,0,0,0,1|2,1,0]=4 1630 B20R3.30260 c1ccc2oc(nc2c1)NCOC3CCCCC3 a5e12303a8688be1d9b7146582a60125 [0,0,0,0,0,1|2,1,0]=4 1631 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCCCO3 7af4a9c6e61907c6d8d25816fc99f0f4 [0,0,0,0,0,1|3,0,0]=4 1632 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCCOC3 0ba14bbfdceff976cad9fec4403cdb0b [0,0,0,0,0,1|3,0,0]=4 1633 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCOCC3 d80d9da7d9d03063516743289f2b4069 [0,0,0,0,0,1|3,0,0]=4 1634 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCSCC3 3fb9aa61bd411f79160bb1c1c210dd3a [0,0,0,0,0,1|3,0,0]=4 1635 B20R3.30260 c1ccc2sc(cc2c1)CCN[C@@H]3CCCOC3 df476dfd6debd1db50ce75b1d1cd747c [0,0,0,0,0,1|3,0,0]=4 1636 B20R3.30260 c1ccc2sc(cc2c1)CCN[C@H]3CCCOC3 cbc4ceb0ab284c3b1e6600b1b6f913f5 [0,0,0,0,0,1|3,0,0]=4 1637 B20R3.30260 c1ccc2sc(cc2c1)CCOC3CCCCC3 c3b0f9c26d93719c31728976482e7d90 [0,0,0,0,0,1|3,0,0]=4 1638 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCC3 5445cc4edbfc8e6b49a7e171cec719b8 [0,0,0,0,0,1|2,0,0]=3 1639 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCO3 ffeb83f9f242b2aeb93017c67e2d6609 [0,0,0,0,0,1|3,0,0]=4 1640 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCOC3 566d803aef14263cdb0ef3008de533c1 [0,0,0,0,0,1|3,0,0]=4 1641 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 4c3cff3d1c48e3629c75fb7c73dfd367 [0,0,0,0,0,1|3,0,0]=4 1642 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 69909d31f5b15efef0c0016a84871106 [0,0,0,0,0,1|3,0,0]=4 1643 B20R3.30260 c1ccc2sc(cc2c1)CNC[C@@H]3CCCOC3 9186ba43dd5d8bb1155adba7968a427c [0,0,0,0,0,1|3,0,0]=4 1644 B20R3.30260 c1ccc2sc(cc2c1)CNC[C@H]3CCCOC3 b1ba5b84038de7864d10b4a24b95c179 [0,0,0,0,0,1|3,0,0]=4 1645 B20R3.30260 c1ccc2sc(cc2c1)COCC3CCCCC3 26565d64fb78c449f1bdaa236a029488 [0,0,0,0,0,1|2,1,0]=4 1646 B20R3.30260 c1ccc2sc(cc2c1)NCCC3CCCCC3 32841788a787d26f348686e2456accd8 [0,0,0,0,0,1|3,0,0]=4 1647 B20R3.30260 c1ccc2sc(cc2c1)NCOC3CCCCC3 c9f717ebad9a8bfe78e056208a05aa2f [0,0,0,0,0,1|3,0,0]=4 1648 B20R3.30260 c1ccc2sc(cc2c1)OCCC3CCCCC3 ec017c2911303b9ca15bdde3ad8239f8 [0,0,0,0,0,1|2,1,0]=4 1649 B20R3.30260 c1ccc2sc(cc2c1)OCOC3CCCCC3 0adeadc9197b056f93b1c7b3d58830fe [0,0,0,0,0,1|2,1,0]=4 1650 B20R3.30260 c1ccc2sc(nc2c1)CCOC3CCCCC3 e7cd585cdce590ffc6bc286ba8a8d1af [0,0,0,0,0,1|2,0,0]=3 1651 B20R3.30260 c1ccc2sc(nc2c1)CCOC3CCOCC3 a2dd401eac2756a147afbb723adefa5b [0,0,0,0,0,1|3,0,0]=4 1652 B20R3.30260 c1ccc2sc(nc2c1)CCOC3CCSCC3 2cceeb6822a911df17d7d7bb4c3fa9b4 [0,0,0,0,0,1|3,0,0]=4 1653 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCC3 c9fe9db285746c38bcd2aea230eef897 [0,0,0,0,0,1|1,0,0]=2 1654 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCO3 da70686f2ea6d790ad7a08bd9a910d68 [0,0,0,0,0,1|2,0,0]=3 1655 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCOC3 83ca50f8b4a8d3750e6b855189324561 [0,0,0,0,0,1|2,0,0]=3 1656 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 0550243c9682cd577f489b6ff3cd3cd8 [0,0,0,0,0,1|2,0,0]=3 1657 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCSCC3 1acfade0d7b0c84317ea91d979d62b30 [0,0,0,0,0,1|2,0,0]=3 1658 B20R3.30260 c1ccc2sc(nc2c1)CNCC3COCCO3 2ca175f7d4ebbcdcb9e71bd78b9a7896 [0,0,0,0,0,1|3,0,0]=4 1659 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@@H]3CCCOC3 3b89d7070219b9050ac4ea01efffc6cb [0,0,0,0,0,1|2,0,0]=3 1660 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@H]3CCCOC3 032877f29ea34ef43cccea78e05f0d95 [0,0,0,0,0,1|2,0,0]=3 1661 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@H]3COCCO3 3fd07594f9d8a3643f381fa0dc336164 [0,0,0,0,0,1|3,0,0]=4 1662 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCC3 19a3422f3276104310e2b60ebbb4d371 [0,0,0,0,0,1|1,1,0]=3 1663 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCO3 76df7d58a859af7181184e1a88075513 [0,0,0,0,0,1|2,1,0]=4 1664 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCOC3 fc503b11ad67fa9f5e699b66adf6fd13 [0,0,0,0,0,1|2,1,0]=4 1665 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCOCC3 07ad81232ccf1b796fbf5e880f325e43 [0,0,0,0,0,1|2,1,0]=4 1666 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCSCC3 382ffd7dc50a26fefa025bb2e5a26ba0 [0,0,0,0,0,1|2,1,0]=4 1667 B20R3.30260 c1ccc2sc(nc2c1)COC[C@@H]3CCCCO3 143da8ff86ca957eb045daa24afbff78 [0,0,0,0,0,1|2,1,0]=4 1668 B20R3.30260 c1ccc2sc(nc2c1)COC[C@@H]3CCCOC3 43d49c466ae603958f82b7b073dbd1f2 [0,0,0,0,0,1|2,1,0]=4 1669 B20R3.30260 c1ccc2sc(nc2c1)COC[C@H]3CCCCO3 f899ba53fc0b46a5a61b4bcea8578342 [0,0,0,0,0,1|2,1,0]=4 1670 B20R3.30260 c1ccc2sc(nc2c1)COC[C@H]3CCCOC3 3deb742eb89072dc7b680f3fb381f344 [0,0,0,0,0,1|2,1,0]=4 1671 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCCCC3 680adb970e53696410f0b96c883958ab [0,0,0,0,0,1|2,0,0]=3 1672 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCCOC3 357c6c95b01ef2c0f133f8b70f10a7d2 [0,0,0,0,0,1|3,0,0]=4 1673 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCOCC3 974c89f0c52d21e8dc904f5cc73785b3 [0,0,0,0,0,1|3,0,0]=4 1674 B20R3.30260 c1ccc2sc(nc2c1)NCCN3CCCCC3 b4ee3fd2390948d01b4086d1ef21fad1 [0,0,0,0,0,1|3,0,0]=4 1675 B20R3.30260 c1ccc2sc(nc2c1)NCOC3CCCCC3 4f327af9cd10b6a7414e0c33e63ceb3e [0,0,0,0,0,1|2,0,0]=3 1676 B20R3.30260 c1ccc2sc(nc2c1)OCCC3CCCCC3 aef79a708f9a57c9693e342b51c9b85f [0,0,0,0,0,1|1,1,0]=3 1677 B20R3.30260 c1ccc2sc(nc2c1)OCCC3CCCOC3 ba4fade6574710224d45872dbb89ec34 [0,0,0,0,0,1|2,1,0]=4 1678 B20R3.30260 c1ccc2sc(nc2c1)OCCC3CCOCC3 fef30ecbec4e33ad67c779d1763a656c [0,0,0,0,0,1|2,1,0]=4 1679 B20R3.30260 c1ccc2sc(nc2c1)OCCN3CCCCC3 9cb4c588730da261b5ee672bed900575 [0,0,0,0,0,1|2,1,0]=4 1680 B20R3.30260 c1ccc2sc(nc2c1)OCOC3CCCCC3 7341798c4a55c3d1f8b462eb637fdd42 [0,0,0,0,0,1|1,1,0]=3 1681 B20R3.30260 c1ccc2sc(nc2c1)SCNC3CCCOC3 e921a1c24c059124163680355a2ec474 [0,0,0,0,0,1|1,0,0]=2 1682 B20R3.30260 c1ccc2sc(nc2c1)SCNC3CCOCC3 4a53be810d0c0b090b861cf277a88711 [0,0,0,0,0,1|1,0,0]=2 1683 B20R3.30260 c1ccc2sc(nc2c1)SCNC3CSCSC3 40bda9d7bde5642f7e0fa0054e313fec [0,0,0,0,0,1|2,0,0]=3 1684 B20R3.30260 c1ccc2sc(nc2c1)SCN[C@@H]3CCCOC3 9bf82abdf586c2c508285d45ee32507a [0,0,0,0,0,1|1,0,0]=2 1685 B20R3.30260 c1ccc2sc(nc2c1)SCN[C@H]3CCCOC3 d45659807f75d055bd53769228dee466 [0,0,0,0,0,1|1,0,0]=2 1686 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCCC3 09fa7f144ca4c9a6b753b1577fdaafcf [0,0,0,0,0,1|1,0,0]=2 1687 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCCO3 66dcead50466d8e4eb30a74bd5bd951c [0,0,0,0,0,1|2,0,0]=3 1688 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCOC3 aa3570f55bcf5d9ec80ead14fe30cac0 [0,0,0,0,0,1|2,0,0]=3 1689 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCSC3 cc940258177632e1c8155746b19f4915 [0,0,0,0,0,1|2,0,0]=3 1690 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCOCC3 13ba856da4eb1b38e7100e9be72b29ce [0,0,0,0,0,1|2,0,0]=3 1691 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCSCC3 99b6f8fad8e2bdcf455fba436546ddf7 [0,0,0,0,0,1|2,0,0]=3 1692 B20R3.30260 c1ccc2sc(nc2c1)SCO[C@@H]3CCCOC3 0c95ea33da337212d3df1e88cda27e2d [0,0,0,0,0,1|2,0,0]=3 1693 B20R3.30260 c1ccc2sc(nc2c1)SCO[C@H]3CCCOC3 9d644617a0b64d99554eb2257686e684 [0,0,0,0,0,1|2,0,0]=3 1694 B20R3.30260 c1ccn2cc(nc2c1)CCNC3CCCCC3 aa551223fdbb7d0b4092d4557e1563ec [0,0,0,0,0,1|3,0,0]=4 1695 B20R3.30260 c1ccn2cc(nc2c1)CNCC3CCCCC3 4d217d94d36db48d91906d3b216e0b83 [0,0,0,0,0,1|3,0,0]=4 1696 B20R3.30260 c1ccn2nc(cc2c1)CNCC3CCCCC3 e0dd438b1a3ab1244ca1d88fb1e4847b [0,0,0,0,0,1|3,0,0]=4 1697 B20R3.30260 c1ccn2nc(nc2c1)CNCC3CCCCC3 8ba2619f80a6df20a8f55557a5c9df09 [0,0,0,0,0,1|3,0,0]=4 1698 B20R3.30260 c1cnc2[nH]c(nc2c1)CNCC3CCCCC3 e7626064795193ebc5583befe69c06fc [0,0,0,0,0,1|3,0,0]=4 1699 B20R3.30260 c1cnc2cc(sc2c1)CNCC3CCCCC3 80eab5c1ef6e3a09e3db40f10c5d7571 [0,0,0,0,0,1|3,0,0]=4 1700 B20R3.30260 c1cnc2nc(oc2c1)CNCC3CCCCC3 3a0cebccd771fe8d56af0a1f3085ab36 [0,0,0,0,0,1|2,1,0]=4 1701 B20R3.30260 c1cnc2nc(sc2c1)NCCC3CCCCC3 e05c58d4bb90b6150ae3151c9acec8e9 [0,0,0,0,0,1|3,0,0]=4 1702 B20R3.30260 c1cnc2nc(sc2c1)NCOC3CCCCC3 e232713e549603e2656d2aefc88fa12a [0,0,0,0,0,1|3,0,0]=4 1703 B20R3.30260 c1cnc2oc(nc2c1)CNCC3CCCCC3 4474b5a111ca520f9d58db45b944032b [0,0,0,0,0,1|2,1,0]=4 1704 B20R3.30260 c1cnc2sc(nc2c1)NCCC3CCCCC3 142fb8e09ed59c66a4de6f9700e6064d [0,0,0,0,0,1|3,0,0]=4 1705 B20R3.30260 c1cnc2sc(nc2c1)NCOC3CCCCC3 e45108341443423c400082fd9641311f [0,0,0,0,0,1|3,0,0]=4 1706 B20R3.1869421 C1=CCCC(CC1)NCc2cc3ccccc3s2 8e2bea8fb2e3687d417a958accdb3b43 [0,0,0,0,0,1|2,0,1]=4 1707 B20R3.1869421 C1=CCCC(CC1)NCc2nc3ccccc3[nH]2 f3dca4285f2dad8067049d5a6cd6dfa6 [0,0,0,0,0,1|2,0,1]=4 1708 B20R3.1869421 C1=CCCC(CC1)NCc2nc3ccccc3o2 75ef553ef1f44c07000fedf72ece73a0 [0,0,0,0,0,1|1,1,1]=4 1709 B20R3.1869421 C1=CCCC(CC1)NCc2nc3ccccc3s2 b10456f76d1deea6f37d7f609b896a06 [0,0,0,0,0,1|1,0,1]=3 1710 B20R3.1869421 c1cc2nc(sc2cn1)NCC3CCCCCC3 7828d60021a0910e77c8f850f6d77e42 [0,0,0,0,0,1|3,0,0]=4 1711 B20R3.1869421 c1cc2sc(nc2cn1)NCC3CCCCCC3 c6bfaafab6b1730c2037df1263fb8eb8 [0,0,0,0,0,1|3,0,0]=4 1712 B20R3.1869421 c1ccc2[nH]c(cc2c1)CNC3CCCCCC3 90c67423203a216a5bcc7c2096b42993 [0,0,0,0,0,1|2,0,1]=4 1713 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCCCC3 4eeefba532d5b0d725e092f114825ff0 [0,0,0,0,0,1|2,0,0]=3 1714 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCOCC3 c9fa3ecf2414ded0903a4bc0797e9d6e [0,0,0,0,0,1|2,0,0]=3 1715 B20R3.1869421 c1ccc2[nH]c(nc2c1)COC3CCCCCC3 bfc08145f0111f6d27e1d64c7f870cd2 [0,0,0,0,0,1|3,0,0]=4 1716 B20R3.1869421 c1ccc2[nH]c(nc2c1)COC3CCCOCC3 88b1214d5c3617acf5c5598566aeb458 [0,0,0,0,0,1|3,0,0]=4 1717 B20R3.1869421 c1ccc2[nH]c(nc2c1)NCC3CCCCCC3 41f283dca51b0e27ee2e492a58a05467 [0,0,0,0,0,1|3,0,0]=4 1718 B20R3.1869421 c1ccc2[nH]c(nc2c1)OCC3CCCCCC3 c04ee3d0d42d1697f846008a7f2de464 [0,0,0,0,0,1|2,1,0]=4 1719 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCCCC3 f490fc5013f192639b8d81287631aeb1 [0,0,0,0,0,1|2,1,0]=4 1720 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCOCC3 2556657ac7b652b5e2f187c2650e28ef [0,0,0,0,0,1|2,1,0]=4 1721 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCCCC3 6537b84cc8a93cdb5c9808a90fd24802 [0,0,0,0,0,1|1,1,0]=3 1722 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCOCC3 1a70b8b49a0588660d6ed95ae357cf76 [0,0,0,0,0,1|1,1,0]=3 1723 B20R3.1869421 c1ccc2oc(nc2c1)COC3CCCCCC3 11d50d624f2a141d10629c75d6038309 [0,0,0,0,0,1|2,1,0]=4 1724 B20R3.1869421 c1ccc2oc(nc2c1)COC3CCCOCC3 18064963b7077f469cd5febac1dfe1a4 [0,0,0,0,0,1|2,1,0]=4 1725 B20R3.1869421 c1ccc2oc(nc2c1)NCC3CCCCCC3 a459d09c2a77ca49f07cb0ffec559597 [0,0,0,0,0,1|2,1,0]=4 1726 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CCCCCC3 03199c688e709c3ec4a72ef077842b99 [0,0,0,0,0,1|2,0,0]=3 1727 B20R3.1869421 c1ccc2sc(cc2c1)COC3CCCCCC3 af9d20e9a7e2d0ef72cee107611baf40 [0,0,0,0,0,1|3,0,0]=4 1728 B20R3.1869421 c1ccc2sc(cc2c1)COC3CCCOCC3 3950958ae2505dd422aadacb3471ce56 [0,0,0,0,0,1|3,0,0]=4 1729 B20R3.1869421 c1ccc2sc(cc2c1)NCC3CCCCCC3 15ae147392ef838c4354436d97217be4 [0,0,0,0,0,1|3,0,0]=4 1730 B20R3.1869421 c1ccc2sc(cc2c1)OCC3CCCCCC3 45ecc7a949ad1cf2c8f676dc9dce5266 [0,0,0,0,0,1|2,1,0]=4 1731 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCCCC3 c30b3bd600cdec0156ccb831b8d3a2bb [0,0,0,0,0,1|1,0,0]=2 1732 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCOCC3 fab18cbf44a8a56149dbbf0c3bb420fa [0,0,0,0,0,1|1,0,0]=2 1733 B20R3.1869421 c1ccc2sc(nc2c1)COC3CCCCCC3 2db749cc4fa195681335206189796fef [0,0,0,0,0,1|2,0,0]=3 1734 B20R3.1869421 c1ccc2sc(nc2c1)COC3CCCOCC3 0e9826ee600af53dfb783b841f965829 [0,0,0,0,0,1|2,0,0]=3 1735 B20R3.1869421 c1ccc2sc(nc2c1)COC3COCCOC3 b459b493d7a06a7107279992e8c816ee [0,0,0,0,0,1|3,0,0]=4 1736 B20R3.1869421 c1ccc2sc(nc2c1)NCC3CCCCCC3 7758a68e39b5bcf74494aa62c0e48acf [0,0,0,0,0,1|2,0,0]=3 1737 B20R3.1869421 c1ccc2sc(nc2c1)NCC3COCCOC3 a632dc5c6290c61791d3825e85fd9f2f [0,0,0,0,0,1|3,0,0]=4 1738 B20R3.1869421 c1ccc2sc(nc2c1)OCC3CCCCCC3 d51f70cc812737e8657136aebf9530ba [0,0,0,0,0,1|1,1,0]=3 1739 B20R3.1869421 c1ccc2sc(nc2c1)OCC3COCCOC3 c204427a87bccb91e1647b9cd53c3a7d [0,0,0,0,0,1|2,1,0]=4 1740 B20R3.1869421 c1ccc2sc(nc2c1)SCN3CCCCCC3 d8e792b7136bfcb01b2eae75ba37b479 [0,0,0,0,0,1|2,0,0]=3 1741 B20R3.1869421 c1ccc2sc(nc2c1)SCN3CCCOCC3 efbc4085773b5c36f8ec5716ef27d053 [0,0,0,0,0,1|2,0,0]=3 1742 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCCCC3 74610bbcdc2435a5db594f3e8ff3aa2a [0,0,0,0,0,1|3,0,0]=4 1743 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCOCC3 4c0fdb8e53dc89a2728f7731b217b473 [0,0,0,0,0,1|3,0,0]=4 1744 B20R3.1869421 c1ccn2nc(cc2c1)CNC3CCCCCC3 6ac23ef689b30e1e228853e5b1972ded [0,0,0,0,0,1|3,0,0]=4 1745 B20R3.1869421 c1ccn2nc(cc2c1)CNC3CCCOCC3 a24a8dec0e573114bd79dd532fcb5665 [0,0,0,0,0,1|3,0,0]=4 1746 B20R3.1869421 c1ccn2nc(nc2c1)CNC3CCCOCC3 e3e6b2dcb4df8dac5d4f0c9f49fa051f [0,0,0,0,0,1|3,0,0]=4 1747 B20R3.1869421 c1cnc2[nH]c(nc2c1)CNC3CCCCCC3 ae9077b5eed1f4fb4202c446f3ecce86 [0,0,0,0,0,1|3,0,0]=4 1748 B20R3.1869421 c1cnc2[nH]c(nc2c1)CNC3CCCOCC3 c0b3c097f3fba8c9b0a80a825b162ec6 [0,0,0,0,0,1|3,0,0]=4 1749 B20R3.1869421 c1cnc2cc(sc2c1)CNC3CCCCCC3 94a0fa72b52002433915327a1b1ffcca [0,0,0,0,0,1|3,0,0]=4 1750 B20R3.1869421 c1cnc2nc(oc2c1)CNC3CCCCCC3 b1ad486520815511459b0993072eba2d [0,0,0,0,0,1|2,1,0]=4 1751 B20R3.1869421 c1cnc2nc(oc2c1)CNC3CCCOCC3 21931fc288e39475cdb7febe1b2dd3d3 [0,0,0,0,0,1|2,1,0]=4 1752 B20R3.1869421 c1cnc2nc(sc2c1)NCC3CCCCCC3 e6f546acf600a201445c514fa8196553 [0,0,0,0,0,1|3,0,0]=4 1753 B20R3.1869421 c1cnc2oc(nc2c1)CNC3CCCCCC3 23f4f0856dd48a986b34b447167df9cd [0,0,0,0,0,1|2,1,0]=4 1754 B20R3.1869421 c1cnc2oc(nc2c1)CNC3CCCOCC3 cce0e1d376d54abcfdbdc1d1770b3640 [0,0,0,0,0,1|2,1,0]=4 1755 B20R3.1869421 c1cnc2sc(nc2c1)NCC3CCCCCC3 a004c9aaf7bdb5a0a064e3c75ac17656 [0,0,0,0,0,1|3,0,0]=4 1756 B17R2.2134 CC(CCO)NCc1nc2ccccc2s1 fd490d51aae01917ccedea7a60c58480 [1,0,1,0,0,0|2,0,0]=4 1757 B17R2.2134 CCCC(C)CNc1nc2ccccc2s1 91353780f19d188918a0e75ec7f4b9ba [1,0,1,0,0,0|2,0,0]=4 1758 B17R2.2134 CCCC(C)COc1nc2ccccc2s1 3bd4a59c333ed59acbe1a4287964873e [1,0,1,0,0,0|1,1,0]=4 1759 B17R2.2134 CCCC(C)NCc1cc2ccccc2s1 19f80f0aae31640256cf7e41252f108b [1,0,1,0,0,0|2,0,0]=4 1760 B17R2.2134 CCCC(C)NCc1nc2ccccc2[nH]1 7ce3f64244d7eda1f759447badfe3d09 [1,0,1,0,0,0|2,0,0]=4 1761 B17R2.2134 CCCC(C)NCc1nc2ccccc2o1 971496314af58eda1c97e6615e7a127a [1,0,1,0,0,0|1,1,0]=4 1762 B17R2.2134 CCCC(C)NCc1nc2ccccc2s1 a1851f13d130ae60c6b9dfccce0b0b0d [1,0,1,0,0,0|1,0,0]=3 1763 B17R2.2134 CCC[C@H](C)NCc1cc2ccccc2s1 78f0755bbf578af9bc86d96945f49852 [1,0,1,0,0,0|2,0,0]=4 1764 B17R2.2134 CCC[C@H](C)NCc1nc2ccccc2[nH]1 bec024579dff98c5760ef0b10a165b9c [1,0,1,0,0,0|2,0,0]=4 1765 B17R2.2134 CCC[C@H](C)NCc1nc2ccccc2o1 72383a0d4457337df79acfdc8bfe6771 [1,0,1,0,0,0|1,1,0]=4 1766 B17R2.2134 CCC[C@H](C)NCc1nc2ccccc2s1 6dfcf8c57f2845c477889571596457cf [1,0,1,0,0,0|1,0,0]=3 1767 B17R2.2134 COCC(C)NCc1nc2ccccc2s1 c603fde06a39ce05357ff02e785cb275 [1,0,1,0,0,0|2,0,0]=4 1768 B17R2.2134 COC[C@@H](C)NCc1nc2ccccc2s1 54eadc7c8aa83561b2e9c9b026ecd21f [1,0,1,0,0,0|2,0,0]=4 1769 B17R2.2134 COC[C@H](C)NCc1nc2ccccc2s1 d58776979ae4182b0f6e4207846ed08a [1,0,1,0,0,0|2,0,0]=4 1770 B17R2.2134 C[C@@H](CCO)NCc1nc2ccccc2s1 0dc77ea72b3c29bfca11f36480bc6555 [1,0,1,0,0,0|2,0,0]=4 1771 B17R2.2134 C[C@H](CCO)NCc1nc2ccccc2s1 43e44909275752e930996b1e196074eb [1,0,1,0,0,0|2,0,0]=4 1772 B17R2.2569 C#CCCCCNc1nc2ccccc2s1 fc768e4a1e18eb168c593e77b2e1fea5 [1,0,1,0,0,0|0,0,2]=4 1773 B17R2.2569 C/C=C\CCCNc1nc2ccccc2s1 80d5505ab802285c033f26e1f28a59a1 [1,0,1,0,0,0|0,0,2]=4 1774 B17R2.2569 C=CCCCCNc1nc2ccccc2s1 0ba8eaf9cccb56977c2c229ed3d8bd7c [1,0,1,0,0,0|0,0,2]=4 1775 B17R2.2569 CC/C=C\CCNc1nc2ccccc2s1 6ec571a11a5d7f1052f9acdf0d9dd828 [1,0,1,0,0,0|0,0,2]=4 1776 B17R2.2569 CCC/C=C/CNc1nc2ccccc2s1 f3964a970d0469cae80d7498353ea78f [1,0,1,0,0,0|0,0,2]=4 1777 B17R2.2569 CCC/C=C\CNc1nc2ccccc2s1 fb1f70e5ff2c73c38be863c167f42313 [1,0,1,0,0,0|0,0,2]=4 1778 B17R2.2569 CCCCCCNc1cc2ccccc2[nH]1 c236c02e204acba1398c48468ff28eec [1,0,1,0,0,0|1,0,1]=4 1779 B17R2.2569 CCCCCCNc1cc2ccccc2o1 b7c7c50f963b6efbff665e7cf0d62100 [1,0,1,0,0,0|1,1,0]=4 1780 B17R2.2569 CCCCCCNc1cc2ccccc2s1 0508af0a72738c78db05ab4dfc23d040 [1,0,1,0,0,0|1,0,0]=3 1781 B17R2.2569 CCCCCCNc1cc2ccccn2n1 7512689d1c1ad3c92e956d767f995063 [1,0,1,0,0,0|2,0,0]=4 1782 B17R2.2569 CCCCCCNc1cc2cccnc2s1 01d84d941081f5124270951379ad8995 [1,0,1,0,0,0|2,0,0]=4 1783 B17R2.2569 CCCCCCNc1cc2ccncc2s1 2b2462c3135c6d9d8afb8dc2450ae0c9 [1,0,1,0,0,0|2,0,0]=4 1784 B17R2.2569 CCCCCCNc1cc2ncccc2s1 4a482068234a122b635ce55ac8c9f097 [1,0,1,0,0,0|2,0,0]=4 1785 B17R2.2569 CCCCCCNc1cn2ccccc2n1 d9908768917b98f833cd9f3e273254d7 [1,0,1,0,0,0|2,0,0]=4 1786 B17R2.2569 CCCCCCNc1nc2ccccc2[nH]1 ae0d4af04cb645312c565b1a5b94940e [1,0,1,0,0,0|1,0,0]=3 1787 B17R2.2569 CCCCCCNc1nc2ccccc2o1 3ec6d9e3b6bfcc507bc6ba63194255e7 [1,0,1,0,0,0|0,1,0]=3 1788 B17R2.2569 CCCCCCNc1nc2ccccc2s1 e5a030e25b482a9c6d1f80a91a2d3bae [1,0,1,0,0,0|0,0,0]=2 1789 B17R2.2569 CCCCCCNc1nc2ccccn2n1 56041b77d89bea78c9f3a7a67945e808 [1,0,1,0,0,0|2,0,0]=4 1790 B17R2.2569 CCCCCCNc1nc2cccnc2o1 9cd21ee72046565ddfe9665bb3a5c7a4 [1,0,1,0,0,0|1,1,0]=4 1791 B17R2.2569 CCCCCCNc1nc2cccnc2s1 3ce39ccaf6d506d77f52f1f28bd03726 [1,0,1,0,0,0|1,0,0]=3 1792 B17R2.2569 CCCCCCNc1nc2ccncc2o1 f99fd0ae36b1bbf8fc89d4362bc59cdf [1,0,1,0,0,0|1,1,0]=4 1793 B17R2.2569 CCCCCCNc1nc2ccncc2s1 7c514b555b28e29cbe273534b8660d60 [1,0,1,0,0,0|1,0,0]=3 1794 B17R2.2569 CCCCCCNc1nc2cnccc2[nH]1 30eb7a58d8435a2950ea74b779854e26 [1,0,1,0,0,0|2,0,0]=4 1795 B17R2.2569 CCCCCCNc1nc2cnccc2o1 0a3b3b9dbc8af30b3f11237430d3d964 [1,0,1,0,0,0|1,1,0]=4 1796 B17R2.2569 CCCCCCNc1nc2cnccc2s1 ec28fb3b820f9c858bcedc42b2ef80b1 [1,0,1,0,0,0|1,0,0]=3 1797 B17R2.2569 CCCCCCNc1nc2cncnc2s1 10994d494ec9cbef120355a91825de80 [1,0,1,0,0,0|2,0,0]=4 1798 B17R2.2569 CCCCCCNc1nc2ncccc2[nH]1 08aa6d3a5a1fd5f854fb1ed18179ad46 [1,0,1,0,0,0|2,0,0]=4 1799 B17R2.2569 CCCCCCNc1nc2ncccc2o1 8ee9f2c9d68e3d1dc5e5d253a1a0afc6 [1,0,1,0,0,0|1,1,0]=4 1800 B17R2.2569 CCCCCCNc1nc2ncccc2s1 c9e537550a3368212bf581ee0ba93ba8 [1,0,1,0,0,0|1,0,0]=3 1801 B17R2.2569 CCCCCCNc1nc2nccnc2s1 683341b737d8d92db80a688f455b8e0c [1,0,1,0,0,0|2,0,0]=4 1802 B17R2.2569 CCCCCCOc1cc2ccccc2s1 b54ce6dfe206084a097b643bf5762752 [1,0,1,0,0,0|1,1,0]=4 1803 B17R2.2569 CCCCCCOc1nc2ccccc2[nH]1 e07ecfbec8400f83aa7173e815abe009 [1,0,1,0,0,0|1,1,0]=4 1804 B17R2.2569 CCCCCCOc1nc2ccccc2s1 7bcaff92d9a87483de3f9f862d41233c [1,0,1,0,0,0|0,1,0]=3 1805 B17R2.2569 CCCCCNCc1cc2ccccc2s1 7911c564ae782a45092e688d0e14e47b [1,0,1,0,0,0|2,0,0]=4 1806 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 964f37676bb5136a5aed2da9f491865a [1,0,1,0,0,0|2,0,0]=4 1807 B17R2.2569 CCCCCNCc1nc2ccccc2o1 37f011e277894a2109d5d2e5270f308b [1,0,1,0,0,0|1,1,0]=4 1808 B17R2.2569 CCCCCNCc1nc2ccccc2s1 6c05504529245f16f068f282c3dbd307 [1,0,1,0,0,0|1,0,0]=3 1809 B17R2.2569 CCCCCOCc1nc2ccccc2s1 cb23fafbf84384dea6eb8e069e3d17f8 [1,0,1,0,0,0|2,0,0]=4 1810 B17R2.2569 CCCCNCCc1nc2ccccc2s1 7f68a872aafd3d4d25b921a495c02472 [1,0,1,0,0,0|2,0,0]=4 1811 B17R2.2569 CCCCNCSc1nc2ccccc2s1 52b17e29c41b16b0a5318e26dfdfb00b [1,0,1,0,0,0|1,0,0]=3 1812 B17R2.2569 CCCCOCCc1nc2ccccc2s1 fd2751d9af2542bb22777074eb41d689 [1,0,1,0,0,0|2,0,0]=4 1813 B17R2.2569 CCCCOCNc1nc2ccccc2[nH]1 f814e6c55f6ecf99280399aa2917503e [1,0,1,0,0,0|2,0,0]=4 1814 B17R2.2569 CCCCOCNc1nc2ccccc2o1 a4db6a58b033582b1d256ae3b4931fd3 [1,0,1,0,0,0|1,1,0]=4 1815 B17R2.2569 CCCCOCNc1nc2ccccc2s1 9133ccb75845d7768acfa2a7517c193e [1,0,1,0,0,0|1,0,0]=3 1816 B17R2.2569 CCCCOCNc1nc2cccnc2s1 6cbf6708b65f74129bd8ef77a9f083a8 [1,0,1,0,0,0|2,0,0]=4 1817 B17R2.2569 CCCCOCNc1nc2ccncc2s1 c17411a41895c5b75845cf85e72171af [1,0,1,0,0,0|2,0,0]=4 1818 B17R2.2569 CCCCOCNc1nc2cnccc2s1 b546d4d85c33de58a7c31874908effb0 [1,0,1,0,0,0|2,0,0]=4 1819 B17R2.2569 CCCCOCNc1nc2ncccc2s1 3dcb138f2f56082dbbfb9f9d46cec86d [1,0,1,0,0,0|2,0,0]=4 1820 B17R2.2569 CCCCOCOc1nc2ccccc2s1 d7c378617a3a405f1d0bbce98fa3ec29 [1,0,1,0,0,0|1,1,0]=4 1821 B17R2.2569 CCCCOCSc1nc2ccccc2s1 6426e685ad0c6b93f4afd97dd127e8c7 [1,0,1,0,0,0|1,0,0]=3 1822 B17R2.2569 CCCOCCNc1cc2ccccc2s1 aeb95fbdb6ba11697890a25434b99615 [1,0,1,0,0,0|2,0,0]=4 1823 B17R2.2569 CCCOCCNc1nc2ccccc2[nH]1 e92ba8017b6aaad19dd28019430c80ef [1,0,1,0,0,0|2,0,0]=4 1824 B17R2.2569 CCCOCCNc1nc2ccccc2o1 702ff677ea181ea33d47acdfce17c536 [1,0,1,0,0,0|1,1,0]=4 1825 B17R2.2569 CCCOCCNc1nc2ccccc2s1 91ba118bd99b4ae2d210109786691245 [1,0,1,0,0,0|1,0,0]=3 1826 B17R2.2569 CCCOCCNc1nc2cccnc2s1 419418fbdf22328571bed6db586067c5 [1,0,1,0,0,0|2,0,0]=4 1827 B17R2.2569 CCCOCCNc1nc2ccncc2s1 1bf13cd345dc7133bf86d18d2b576fa0 [1,0,1,0,0,0|2,0,0]=4 1828 B17R2.2569 CCCOCCNc1nc2cnccc2s1 c348224974298a5aebadb9c362d59fae [1,0,1,0,0,0|2,0,0]=4 1829 B17R2.2569 CCCOCCNc1nc2ncccc2s1 95174758c0e2fe5f767a8a226d658687 [1,0,1,0,0,0|2,0,0]=4 1830 B17R2.2569 CCCOCCOc1nc2ccccc2s1 c90744df12cb12307efbe3f53232e830 [1,0,1,0,0,0|1,1,0]=4 1831 B17R2.2569 CCCOCCSc1nc2ccccc2o1 000e3df73bf3da251cb9acfeb4ce7054 [1,0,1,0,0,0|1,1,0]=4 1832 B17R2.2569 CCCOCCSc1nc2ccccc2s1 25c7822599ecb91ba219b5c4747e50e3 [1,0,1,0,0,0|1,0,0]=3 1833 B17R2.2569 CCOCCCNc1cc2ccccc2s1 19d89b490544d676481f5355006cccc0 [1,0,1,0,0,0|2,0,0]=4 1834 B17R2.2569 CCOCCCNc1nc2ccccc2[nH]1 edd10b7911aca77cd9b9d77eaa2c0029 [1,0,1,0,0,0|2,0,0]=4 1835 B17R2.2569 CCOCCCNc1nc2ccccc2o1 a36fbf63416e6dea8e6614823660be44 [1,0,1,0,0,0|1,1,0]=4 1836 B17R2.2569 CCOCCCNc1nc2ccccc2s1 4c462cf656a4dfe52056e479b74e43b1 [1,0,1,0,0,0|1,0,0]=3 1837 B17R2.2569 CCOCCCNc1nc2cccnc2s1 5cb22a58d85be8d8baca7467e911c60b [1,0,1,0,0,0|2,0,0]=4 1838 B17R2.2569 CCOCCCNc1nc2ccncc2s1 6fc027720d22a699f1c15c76982a7b03 [1,0,1,0,0,0|2,0,0]=4 1839 B17R2.2569 CCOCCCNc1nc2cnccc2s1 d2a0c34f2dd742089e3da2e294a32b9b [1,0,1,0,0,0|2,0,0]=4 1840 B17R2.2569 CCOCCCNc1nc2ncccc2s1 42b947b9dd5bc5a5c5c3a200a8eac582 [1,0,1,0,0,0|2,0,0]=4 1841 B17R2.2569 CCOCCCOc1nc2ccccc2s1 40759fb59bf9d93971d9c1c9d1bcb068 [1,0,1,0,0,0|1,1,0]=4 1842 B17R2.2569 CCOCCNCc1nc2ccccc2s1 38854d27763da3c7cf0ad3aece5004b4 [1,0,1,0,0,0|2,0,0]=4 1843 B17R2.2569 CCSCCCNc1cc2ccccc2s1 4884e3e875800eb2c92c4ebbb608d138 [1,0,1,0,0,0|2,0,0]=4 1844 B17R2.2569 CCSCCCNc1nc2ccccc2[nH]1 4c0f08c6a2c54e5bbf52f383f92f7a74 [1,0,1,0,0,0|2,0,0]=4 1845 B17R2.2569 CCSCCCNc1nc2ccccc2o1 d8048fa5b7806f37d759394ee25e4abc [1,0,1,0,0,0|1,1,0]=4 1846 B17R2.2569 CCSCCCNc1nc2ccccc2s1 ff14b06b4d84b5d0e3292faf85fdf7f0 [1,0,1,0,0,0|1,0,0]=3 1847 B17R2.2569 CCSCCCNc1nc2cccnc2s1 41aaad2bf96f0b96b8c6363cc64b7db0 [1,0,1,0,0,0|2,0,0]=4 1848 B17R2.2569 CCSCCCNc1nc2ccncc2s1 29518bdf0b92e516feef0392d5446fdf [1,0,1,0,0,0|2,0,0]=4 1849 B17R2.2569 CCSCCCNc1nc2cnccc2s1 170570e91bdafdff9cf489c932c0d79e [1,0,1,0,0,0|2,0,0]=4 1850 B17R2.2569 CCSCCCNc1nc2ncccc2s1 1e2792f008072a1714e9a994e67f474e [1,0,1,0,0,0|2,0,0]=4 1851 B17R2.2569 CCSCCCOc1nc2ccccc2s1 0914b0b9a147505bbfa82829e924b9eb [1,0,1,0,0,0|1,1,0]=4 1852 B17R2.2569 CCSCCNCc1nc2ccccc2s1 c905367b966917ed6a9bd5b32dd9200e [1,0,1,0,0,0|2,0,0]=4 1853 B17R2.2569 COCCCCNc1cc2ccccc2s1 4b9f4f387aa2978313db7343d8840c82 [1,0,1,0,0,0|2,0,0]=4 1854 B17R2.2569 COCCCCNc1nc2ccccc2[nH]1 6ee6127b733ee798af717f3716deb130 [1,0,1,0,0,0|2,0,0]=4 1855 B17R2.2569 COCCCCNc1nc2ccccc2o1 1d4e83336cf30f0b3c2891138428b025 [1,0,1,0,0,0|1,1,0]=4 1856 B17R2.2569 COCCCCNc1nc2ccccc2s1 8a9bc2016229ed93fff882c3c19d013e [1,0,1,0,0,0|1,0,0]=3 1857 B17R2.2569 COCCCCNc1nc2cccnc2s1 1350a2488561ebf936b744ee04fc7cd5 [1,0,1,0,0,0|2,0,0]=4 1858 B17R2.2569 COCCCCNc1nc2ccncc2s1 d7e931650c3439d1190913a3916acc98 [1,0,1,0,0,0|2,0,0]=4 1859 B17R2.2569 COCCCCNc1nc2cnccc2s1 340193d2ec3ebeeebcab6d01fd2275b7 [1,0,1,0,0,0|2,0,0]=4 1860 B17R2.2569 COCCCCNc1nc2ncccc2s1 d04167b1868e017e00fe05f645901a50 [1,0,1,0,0,0|2,0,0]=4 1861 B17R2.2569 COCCCCOc1nc2ccccc2s1 8bfab56ca2d989d9da6e475f35f4e235 [1,0,1,0,0,0|1,1,0]=4 1862 B17R2.2569 COCCCNCc1nc2ccccc2s1 9b4562066665636c2ec0cf41899c6ea4 [1,0,1,0,0,0|2,0,0]=4 1863 B17R2.2569 COCCNCSc1nc2ccccc2s1 ae460a8da7257e62b9186ff5f963942d [1,0,1,0,0,0|2,0,0]=4 1864 B17R2.2569 COCCOCNc1nc2ccccc2s1 4363c9b881779288a7759e38085050c2 [1,0,1,0,0,0|2,0,0]=4 1865 B17R2.2569 COCCOCSc1nc2ccccc2s1 71c4518523221718a6b599b530a973d1 [1,0,1,0,0,0|2,0,0]=4 1866 B17R2.2569 COCOCCNc1nc2ccccc2s1 744bc0f236af8aafb867fabefc88bfa8 [1,0,1,0,0,0|2,0,0]=4 1867 B17R2.2569 COCOCCSc1nc2ccccc2s1 972a025319148f26c86fe54f2b75fea2 [1,0,1,0,0,0|2,0,0]=4 1868 B17R2.2569 CSCCCCNc1cc2ccccc2s1 0875ff77697ae47b73543fc6ecab3e3b [1,0,1,0,0,0|2,0,0]=4 1869 B17R2.2569 CSCCCCNc1nc2ccccc2[nH]1 04e534cbf75d1551aca32a0a2114e9ef [1,0,1,0,0,0|2,0,0]=4 1870 B17R2.2569 CSCCCCNc1nc2ccccc2o1 7c2d74d2ba173f639e6b2306e11a17cf [1,0,1,0,0,0|1,1,0]=4 1871 B17R2.2569 CSCCCCNc1nc2ccncc2s1 d6e551b2335771b24db347c244801fd9 [1,0,1,0,0,0|2,0,0]=4 1872 B17R2.2569 CSCCCCNc1nc2ncccc2s1 70e87119f651f74a91255c2c3ca0d0a3 [1,0,1,0,0,0|2,0,0]=4 1873 B17R2.2569 CSCCCNCc1nc2ccccc2s1 9b18c5765b034492dc9133143ae5eb89 [1,0,1,0,0,0|2,0,0]=4 1874 B17R2.2569 CSCCNCSc1nc2ccccc2s1 e6509f1d341cb87f0c245ef1f133f9cc [1,0,1,0,0,0|2,0,0]=4 1875 B17R2.2569 CSCCOCSc1nc2ccccc2s1 16fc032b96113e69d57c5a1290bc2ea1 [1,0,1,0,0,0|2,0,0]=4 1876 B17R2.2569 CSCOCCSc1nc2ccccc2s1 649e00d7b78b61408f33d9061758ac03 [1,0,1,0,0,0|2,0,0]=4 1877 B17R2.2569 ClCCCCCNc1cc2ccccc2s1 1112cbfb0f2dd6b464f1fb8a337da23d [1,0,1,0,0,0|2,0,0]=4 1878 B17R2.2569 ClCCCCCNc1nc2ccccc2[nH]1 6a726d3ca44c01a3a2450b862349ad4f [1,0,1,0,0,0|2,0,0]=4 1879 B17R2.2569 ClCCCCCNc1nc2ccccc2o1 a51ad6f02632fb5f343b2cb2cfb45c29 [1,0,1,0,0,0|1,1,0]=4 1880 B17R2.2569 ClCCCCCNc1nc2ccccc2s1 74944e0ae479d93121093928c550ddac [1,0,1,0,0,0|1,0,0]=3 1881 B17R2.2569 ClCCCCCNc1nc2cccnc2s1 50107d5d445b5e535333e6f9c5b981db [1,0,1,0,0,0|2,0,0]=4 1882 B17R2.2569 ClCCCCCNc1nc2ccncc2s1 8137eb73ff5b6ebc02c2a7737edbb08b [1,0,1,0,0,0|2,0,0]=4 1883 B17R2.2569 ClCCCCCNc1nc2cnccc2s1 2ca6e6d629fd92fa5ddde67a9476e73a [1,0,1,0,0,0|2,0,0]=4 1884 B17R2.2569 ClCCCCCNc1nc2ncccc2s1 d7fc1dac61b5eb907d3f9c1dae20b806 [1,0,1,0,0,0|2,0,0]=4 1885 B17R2.2569 ClCCCCNCc1nc2ccccc2s1 077d789190f29f64d3dfff796d9e477d [1,0,1,0,0,0|2,0,0]=4 1886 B17R2.2569 ClCCCNCSc1nc2ccccc2s1 c7a08518c9993e478d0934b83adbd312 [1,0,1,0,0,0|2,0,0]=4 1887 B17R2.2569 FCCCCCNc1cc2ccccc2s1 8e6ed6e1aefa33e03819e092b4337de8 [1,0,1,0,0,0|2,0,0]=4 1888 B17R2.2569 FCCCCCNc1nc2ccccc2[nH]1 53a2da0e2601896e565f7336a4fd8d89 [1,0,1,0,0,0|2,0,0]=4 1889 B17R2.2569 FCCCCCNc1nc2ccccc2o1 5e3d4eb3dab1800a2622c61e2302aa0a [1,0,1,0,0,0|1,1,0]=4 1890 B17R2.2569 FCCCCCNc1nc2ccccc2s1 1eb1da1123f98a6b11024f01385202b0 [1,0,1,0,0,0|1,0,0]=3 1891 B17R2.2569 FCCCCCNc1nc2cccnc2s1 bff1547cd53f74d24c9f3a4dadf5ae38 [1,0,1,0,0,0|2,0,0]=4 1892 B17R2.2569 FCCCCCNc1nc2ccncc2s1 721ae5c5191a5723d96cc9f8f0ea51a7 [1,0,1,0,0,0|2,0,0]=4 1893 B17R2.2569 FCCCCCNc1nc2cnccc2s1 8dfce0ec686f2bae6c6962f038075ee0 [1,0,1,0,0,0|2,0,0]=4 1894 B17R2.2569 FCCCCCNc1nc2ncccc2s1 1090998ba801839f2807880d79bef5f5 [1,0,1,0,0,0|2,0,0]=4 1895 B17R2.2569 FCCCCCOc1nc2ccccc2s1 f72e6d982564abf862eb18c8898d8922 [1,0,1,0,0,0|1,1,0]=4 1896 B17R2.2569 FCCCCNCc1nc2ccccc2s1 79128a7e2d13c6580e89c18c80508aa8 [1,0,1,0,0,0|2,0,0]=4 1897 B17R2.2569 FCCCOCSc1nc2ccccc2s1 1749dfaf0bf87e25fb07fa065e50a686 [1,0,1,0,0,0|2,0,0]=4 1898 B17R2.2569 FCCOCCSc1nc2ccccc2s1 6ee552a2e677910f6df0f0d13049d6ab [1,0,1,0,0,0|2,0,0]=4 1899 B17R2.2569 N#CCCCCNc1nc2ccccc2s1 b2fe6ed4ca71f178d2dc28cef07137e0 [1,0,1,0,0,0|1,0,1]=4 1900 B17R2.2569 NOCCCCNc1nc2ccccc2s1 10d6a2048c147943eed760c02c3e57fb [1,0,1,0,0,0|2,0,0]=4 1901 B17R2.2569 O=CCCCCNc1nc2ccccc2s1 77e442d0e05fb56e0b5a449b90c04844 [1,0,1,0,0,0|1,0,1]=4 1902 B17R2.2569 OCCCCCNc1cc2ccccc2s1 94df8e6ae52bd8a95b64abb1e1dfd8fe [1,0,1,0,0,0|2,0,0]=4 1903 B17R2.2569 OCCCCCNc1nc2ccccc2[nH]1 7767eb009ac2e4060d2435cf8659c35a [1,0,1,0,0,0|2,0,0]=4 1904 B17R2.2569 OCCCCCNc1nc2ccccc2o1 12a4c85df6bd0f95b7ee2efc2ec9c0ea [1,0,1,0,0,0|1,1,0]=4 1905 B17R2.2569 OCCCCCNc1nc2ccccc2s1 28850c31a7953bb33d2684e406fc131e [1,0,1,0,0,0|1,0,0]=3 1906 B17R2.2569 OCCCCCNc1nc2cccnc2s1 6bfcc5c0340a64b8de6e97944a0b6806 [1,0,1,0,0,0|2,0,0]=4 1907 B17R2.2569 OCCCCCNc1nc2ccncc2s1 9ed6eac976b510de5d7250cd4fee757e [1,0,1,0,0,0|2,0,0]=4 1908 B17R2.2569 OCCCCCNc1nc2cnccc2s1 0ae6dca6d54dbb2eb0de8004cb75a874 [1,0,1,0,0,0|2,0,0]=4 1909 B17R2.2569 OCCCCCNc1nc2ncccc2s1 b3c6e24c8f1f6eb956b7ebc3094d71a1 [1,0,1,0,0,0|2,0,0]=4 1910 B17R2.2569 OCCCCNCc1nc2ccccc2s1 380069c2911d55e06f4bd69550d9ca5a [1,0,1,0,0,0|2,0,0]=4 1911 B17R2.2569 OCCCNCSc1nc2ccccc2s1 b33cd6387cb2a4153a1c3c6bee46c183 [1,0,1,0,0,0|2,0,0]=4 1912 B17R2.2569 OCCOCCNc1nc2ccccc2s1 099887e2f9d79140417eb2de9920082f [1,0,1,0,0,0|2,0,0]=4 1913 B17R2.2569 SCCCCNCc1nc2ccccc2s1 ee0bc93e9b3a2514ed2c9fe2fd6723f7 [1,0,1,0,0,0|2,0,0]=4 1914 B17R2.2569 SCCCOCSc1nc2ccccc2s1 a2046de547f930ed556e5eec8d5d5e3a [1,0,1,0,0,0|2,0,0]=4 1915 B17R2.2569 SCCOCCNc1nc2ccccc2s1 26bd2064d5bf10a82730f4dbc6ce78c0 [1,0,1,0,0,0|2,0,0]=4 1916 B17R2.2569 SCCOCCSc1nc2ccccc2s1 45fdeca74c6da524cec27c5dc173a3a7 [1,0,1,0,0,0|2,0,0]=4 1917 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCCC2 1acae3cb26328059525a2e0377bee1cc [1,0,1,0,0,0|2,0,0]=4 1918 B17R2.5532 CCC(CC)CNc1nc2ccccc2s1 7c07ac99078279d70776d9c217a5ac9f [1,0,1,0,0,0|2,0,0]=4 1919 B17R2.5532 CCC(CC)COc1nc2ccccc2s1 6c2d629b1dc9bb7f09452d1810afabe6 [1,0,1,0,0,0|1,1,0]=4 1920 B17R2.5532 CCC(CC)NCc1cc2ccccc2s1 4e0a43140988705b83d61a5593df40f9 [1,0,1,0,0,0|2,0,0]=4 1921 B17R2.5532 CCC(CC)NCc1nc2ccccc2[nH]1 74f8387e5cb41d6e0858235196fd0e23 [1,0,1,0,0,0|2,0,0]=4 1922 B17R2.5532 CCC(CC)NCc1nc2ccccc2o1 90cbb45a43224b9ddc04699728f67991 [1,0,1,0,0,0|1,1,0]=4 1923 B17R2.5532 CCC(CC)NCc1nc2ccccc2s1 8ed53e909f566b63210feb53c2b971f4 [1,0,1,0,0,0|1,0,0]=3 1924 B17R2.5532 CCC(CC)OCc1nc2ccccc2s1 139cb1a963a713bc0f7acd25eff69e62 [1,0,1,0,0,0|2,0,0]=4 1925 B17R2.5532 CCC(CO)NCc1nc2ccccc2s1 e9aa7d13a3a06c56602bcfc6b5175e26 [1,0,1,0,0,0|2,0,0]=4 1926 B17R2.5532 CC[C@@H](CO)NCc1nc2ccccc2s1 1dc20b5950f971d4fb956a5f77b48cf3 [1,0,1,0,0,0|2,0,0]=4 1927 B17R2.5532 CC[C@H](CO)NCc1nc2ccccc2s1 962759cab2d56c6e218d83c4e03b5fa9 [1,0,1,0,0,0|2,0,0]=4 1928 B19R2.1465 CC(CCCO)NCc1nc2cc(ccc2s1)F d3626f12dfd9f16785d3c890059f5a2c [0,1,1,0,0,0|2,0,0]=4 1929 B19R2.1465 CC(CCCO)NCc1nc2ccc(cc2s1)Br 117204b842b548c7e12413683bd3d2ba [0,1,1,0,0,0|2,0,0]=4 1930 B19R2.1465 CC(CCCO)NCc1nc2ccc(cc2s1)Cl 732399532354ebfb70a0a7ae2e86169f [0,1,1,0,0,0|2,0,0]=4 1931 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)Cl 7cf35d4a280ce4edb3c644b7366415a0 [0,1,1,0,0,0|2,0,0]=4 1932 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)C 592c3234239e31db7db8c0d4d4f94c92 [0,1,1,0,0,0|2,0,0]=4 1933 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)C 99b12588dfa25f53933a88a7163aa907 [0,1,1,0,0,0|1,1,0]=4 1934 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)Cl 74d6ad733bf9a0286fb8fc4a777a3801 [0,1,1,0,0,0|1,1,0]=4 1935 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)F 82abee85478eba99f8437fb6d42916d0 [0,1,1,0,0,0|1,1,0]=4 1936 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2s1)F 5cb6b2afcb3a98400c16759ee6691475 [0,1,1,0,0,0|1,0,0]=3 1937 B19R2.1465 CCCCC(C)NCc1nc2cc(cnc2s1)Cl 481a7ddd61cdfabae3b95575da70b2e1 [0,1,1,0,0,0|2,0,0]=4 1938 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)Cl 2eac0b201a4774c956568cb842d76abd [0,1,1,0,0,0|2,0,0]=4 1939 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)F 8d0636def1ec94b368c14e07dc281720 [0,1,1,0,0,0|2,0,0]=4 1940 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)C 2cd759e7328cdc0e14a3b569da2447b2 [0,1,1,0,0,0|1,1,0]=4 1941 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)Cl 545d0f9e0475f31da5c02f4cb4624a23 [0,1,1,0,0,0|1,1,0]=4 1942 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)F 1c329598583bdd508a48f868f9a70b5a [0,1,1,0,0,0|1,1,0]=4 1943 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2s1)Br a31757f35126827f36246b85dc274ec4 [0,1,1,0,0,0|1,0,0]=3 1944 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2s1)Cl 4960541ab3540bda5c6ba0d013f5ce4d [0,1,1,0,0,0|1,0,0]=3 1945 B19R2.1465 CCCCC(C)OCc1nc2cc(ccc2s1)F c6bfa08dd5f9089f81f5aa94b3b72b2c [0,1,1,0,0,0|2,0,0]=4 1946 B19R2.1465 CCCCC(C)OCc1nc2ccc(cc2s1)F e51e9f86bab49d02d22b99642e823794 [0,1,1,0,0,0|2,0,0]=4 1947 B19R2.1465 CCCC[C@@H](C)NCc1cc2cc(ccc2s1)Cl f320adb4d11de39c7ffdc4bf5d0f7498 [0,1,1,0,0,0|2,0,0]=4 1948 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(ccc2[nH]1)Cl f6a0f61468697f80d3da66049ce3085c [0,1,1,0,0,0|2,0,0]=4 1949 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(ccc2o1)C 2d06f6e75a9a9c7aabfdadd87528ed8f [0,1,1,0,0,0|1,1,0]=4 1950 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(ccc2o1)Cl faba56308551e3b86a0ea95af55a59fb [0,1,1,0,0,0|1,1,0]=4 1951 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(ccc2o1)F a231e0e78a7fd75d3d043def5f6f5ac1 [0,1,1,0,0,0|1,1,0]=4 1952 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(ccc2s1)F cc49a1af62065773ce6cb9b288201913 [0,1,1,0,0,0|1,0,0]=3 1953 B19R2.1465 CCCC[C@@H](C)NCc1nc2cc(cnc2s1)Cl 5a22041c1404fc03c949bdabd6975c33 [0,1,1,0,0,0|2,0,0]=4 1954 B19R2.1465 CCCC[C@@H](C)NCc1nc2ccc(cc2[nH]1)C 2c1b861f468bd1d3330b37869a644e5c [0,1,1,0,0,0|2,0,0]=4 1955 B19R2.1465 CCCC[C@@H](C)NCc1nc2ccc(cc2[nH]1)F 7e06cf308a942f01ab18e5414221cca9 [0,1,1,0,0,0|2,0,0]=4 1956 B19R2.1465 CCCC[C@@H](C)NCc1nc2ccc(cc2o1)C 07d1957bb73573b496866773a3c3f18e [0,1,1,0,0,0|1,1,0]=4 1957 B19R2.1465 CCCC[C@@H](C)NCc1nc2ccc(cc2o1)Cl 9301e7e5f99ae5949eb263c082f9e73e [0,1,1,0,0,0|1,1,0]=4 1958 B19R2.1465 CCCC[C@@H](C)NCc1nc2ccc(cc2o1)F 9208d5a3fd92f23f0c9c96c0ff909019 [0,1,1,0,0,0|1,1,0]=4 1959 B19R2.1465 CCCC[C@@H](C)OCc1nc2cc(ccc2s1)F ef7fbfcd67b6d200f16dbaf58e3e29a8 [0,1,1,0,0,0|2,0,0]=4 1960 B19R2.1465 CCCC[C@H](C)OCc1nc2cc(ccc2s1)F 075a074bbb38892ff8e8755953c63ed9 [0,1,1,0,0,0|2,0,0]=4 1961 B19R2.1465 C[C@H](CCCO)NCc1nc2cc(ccc2s1)F 9e43de4d9ebd174f5114910e2939c2b3 [0,1,1,0,0,0|2,0,0]=4 1962 B19R2.1467 CCCCC(C)NCc1nc2ccccc2n1C a4ee1061b07ebeeedafdfa9c6fdf9bbf [0,1,1,0,0,0|2,0,0]=4 1963 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1Cl 9b76b3b592ff18b420aea4b9626f5e6c [0,1,1,0,0,0|2,0,0]=4 1964 B19R2.1467 CCCC[C@@H](C)NCc1nc2ccccc2n1C 5df457cbf7622d39a689a0ccfc810c4d [0,1,1,0,0,0|2,0,0]=4 1965 B19R2.1467 CCCC[C@@H](C)NCc1sc2ccccc2c1Cl 7daf1be099f96ffa46336109e48ecb9d [0,1,1,0,0,0|2,0,0]=4 1966 B19R2.1474 CCCCC(C)NCc1cc2c(cccc2s1)Cl d15dbb1f57969388f181028305f3bb22 [0,1,1,0,0,0|2,0,0]=4 1967 B19R2.1474 CCCCC(C)NCc1nc2c(cccc2[nH]1)C 61be9421c5526a26d1ca5316138de7f8 [0,1,1,0,0,0|2,0,0]=4 1968 B19R2.1474 CCCCC(C)NCc1nc2c(cccc2o1)Cl 4c90346fc6e583f5627af3c50a5bce3e [0,1,1,0,0,0|1,1,0]=4 1969 B19R2.1474 CCCCC(C)NCc1nc2cccc(c2[nH]1)F 1cbebff5d3307c038937fb06e44e9893 [0,1,1,0,0,0|2,0,0]=4 1970 B19R2.1474 CCCCC(C)NCc1nc2cccc(c2o1)F 2c4861ae82b9a2be422baa6bb4ebe077 [0,1,1,0,0,0|1,1,0]=4 1971 B19R2.1474 CCCCC(C)OCc1nc2c(cccc2s1)F a4c67906aa5367de2be05ec9e7eef986 [0,1,1,0,0,0|2,0,0]=4 1972 B19R2.1474 CCCC[C@@H](C)NCc1cc2c(cccc2s1)Cl ff504a93300e55c0c2f4552bfdfbcd62 [0,1,1,0,0,0|2,0,0]=4 1973 B19R2.1474 CCCC[C@@H](C)NCc1nc2c(cccc2o1)Cl 612830f890c6bea4810634c3ca84ae15 [0,1,1,0,0,0|1,1,0]=4 1974 B19R2.1474 CCCC[C@@H](C)NCc1nc2cccc(c2o1)F 30b7f0f606f04126960d6c687e8493df [0,1,1,0,0,0|1,1,0]=4 1975 B19R2.2352 CC(CCCCO)NCc1cc2ccccc2s1 41d1e86f4b1ffa090019bf5409efa120 [0,1,1,0,0,0|2,0,0]=4 1976 B19R2.2352 CC(CCCCO)NCc1nc2ccccc2[nH]1 d934f64e5275f7e471076f65866f1c9a [0,1,1,0,0,0|2,0,0]=4 1977 B19R2.2352 CC(CCCCO)NCc1nc2ccccc2o1 96162e65ea7e8b3a044c7c97a3c525c7 [0,1,1,0,0,0|1,1,0]=4 1978 B19R2.2352 CC(CCCCO)NCc1nc2ccccc2s1 ca15dabf128f681f6bff8bd572afcc51 [0,1,1,0,0,0|1,0,0]=3 1979 B19R2.2352 CCCCCC(C)NCc1cc2ccccc2s1 e260e03b6654ac3a484d7e644153f2dc [0,1,1,0,0,0|2,0,0]=4 1980 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2[nH]1 51cef812402ddfa78c0b5ae0774a4917 [0,1,1,0,0,0|2,0,0]=4 1981 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2o1 11735fbfb6b6736ec7f949b8b4570fdb [0,1,1,0,0,0|1,1,0]=4 1982 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2s1 71e599fb4e3b5afb302cb1911f6524a5 [0,1,1,0,0,0|1,0,0]=3 1983 B19R2.2352 CCCCCC(C)OCc1nc2ccccc2s1 e067fae4e624d19125a5daf4375f5c16 [0,1,1,0,0,0|2,0,0]=4 1984 B19R2.2352 CCCCC[C@@H](C)OCc1nc2ccccc2s1 f44e40eb0f8e23d73b3bf2adf38888a8 [0,1,1,0,0,0|2,0,0]=4 1985 B19R2.2352 CCCCC[C@H](C)NCc1cc2ccccc2s1 bef2167b1cf94c32dfd32785e883458f [0,1,1,0,0,0|2,0,0]=4 1986 B19R2.2352 CCCCC[C@H](C)NCc1nc2ccccc2[nH]1 0f83552a2cb39037933d733545bdc46a [0,1,1,0,0,0|2,0,0]=4 1987 B19R2.2352 CCCCC[C@H](C)NCc1nc2ccccc2o1 ea6ef52a84a8a1d750779f83ce2aee72 [0,1,1,0,0,0|1,1,0]=4 1988 B19R2.2352 CCCCC[C@H](C)NCc1nc2ccccc2s1 845f9f88ef05fd2f72a962b3dfc118d8 [0,1,1,0,0,0|1,0,0]=3 1989 B19R2.2352 CCCCC[C@H](C)OCc1nc2ccccc2s1 f29952b035ecc41c6b328b4a75af7c55 [0,1,1,0,0,0|2,0,0]=4 1990 B19R2.2352 CCCOCC(C)OCc1nc2ccccc2s1 6921211a0ece44f3c4e2cbff8de86c83 [0,1,1,0,0,0|2,0,0]=4 1991 B19R2.2352 CN(CCCCO)CSc1nc2ccccc2s1 0d02853f8e29ca4d408a6090ec3abf57 [0,1,1,0,0,0|2,0,0]=4 1992 B19R2.2352 COCCCN(C)CSc1nc2ccccc2s1 009d48d2fe13f3314bb9e43e5cd1f7e6 [0,1,1,0,0,0|2,0,0]=4 1993 B19R2.10410 CCC(C)CC(C)NCc1cc2ccccc2s1 8481bf9bfb35502e34bfd26e2b0579b4 [0,1,1,0,0,0|2,0,0]=4 1994 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2[nH]1 a759f38024ad14bd2632070964fcb0ef [0,1,1,0,0,0|2,0,0]=4 1995 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2o1 8dcfad072cdf40bc7d4f2e1bddf2d3d7 [0,1,1,0,0,0|1,1,0]=4 1996 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2s1 1a21778e0f51a68cae1458043a9ae4fc [0,1,1,0,0,0|1,0,0]=3 1997 B19R2.10410 CCC(O)CN(C)CSc1nc2ccccc2s1 f299aa0eb49edadb9424604c2e98ca66 [0,1,1,0,0,0|2,0,0]=4 1998 B19R2.44512 CC(C)(CCCO)NCc1nc2ccccc2s1 0c72bff7086734444c2a0684c0bc2117 [0,1,1,0,0,0|2,0,0]=4 1999 B19R2.44512 CCOCC(C)(C)NCc1nc2ccccc2s1 4d5dc88754167f59058db2f3d40762c4 [0,1,1,0,0,0|2,0,0]=4 2000 B19R2.44512 CCSCC(C)(C)NCc1nc2ccccc2s1 9501077a55ab36abd915230b3e66e257 [0,1,1,0,0,0|2,0,0]=4 2001 B19R2.44512 CSCCC(C)(C)NCc1nc2ccccc2s1 731ac8898af85827deec5e64d3a00ae9 [0,1,1,0,0,0|2,0,0]=4 2002 B19R2.46001 CC(CCCO)NC(=O)c1nc2ccccc2s1 57883cf0120ad25375b32c3fc8ae7a39 [0,1,1,0,0,0|2,0,0]=4 2003 B19R2.46001 CC(CCCO)NC(C)c1nc2ccccc2s1 1592e04652bc3676f1b95d642ab229d7 [0,1,1,0,0,0|2,0,0]=4 2004 B19R2.46001 CC(CCCO)N[C@@H](C)c1nc2ccccc2s1 88b89602cdaeaf2baddbae6ffe2106f2 [0,1,1,0,0,0|2,0,0]=4 2005 B19R2.46001 CCCCC(C)NC(=O)c1cc2ccccc2s1 2528789c7d6d5cc5e8ff6678d5feb0c6 [0,1,1,0,0,0|2,0,0]=4 2006 B19R2.46001 CCCCC(C)NC(=O)c1nc2ccccc2o1 445030f40b0b2a29ba5f25a3d2f36a7b [0,1,1,0,0,0|1,1,0]=4 2007 B19R2.46001 CCCCC(C)NC(=O)c1nc2ccccc2s1 8cb035b17b9a14efa537edec358b0cec [0,1,1,0,0,0|1,0,0]=3 2008 B19R2.46001 CCCCC(C)NC(=O)c1nc2cccnc2s1 3005b45825ef282f77a257daa49b5018 [0,1,1,0,0,0|2,0,0]=4 2009 B19R2.46001 CCCCC(C)NC(=O)c1nc2ccncc2s1 9295a14b511cce57b2b5f84ff43e8ac3 [0,1,1,0,0,0|2,0,0]=4 2010 B19R2.46001 CCCCC(C)NC(=O)c1nc2cnccc2s1 9a1e5fc006e8e3e84e0dccf357ee1897 [0,1,1,0,0,0|2,0,0]=4 2011 B19R2.46001 CCCCC(C)NC(C)c1nc2ccccc2s1 9968ddc40af6333bf124f5cdf88b6ae5 [0,1,1,0,0,0|1,0,0]=3 2012 B19R2.46001 CCCCC(C)N[C@@H](C)c1cc2ccccc2s1 dd1c4f80a58b0d5d31fc25ba608f2a07 [0,1,1,0,0,0|2,0,0]=4 2013 B19R2.46001 CCCCC(C)N[C@@H](C)c1nc2ccccc2s1 09db5a164860d4525f556a6030ca10db [0,1,1,0,0,0|1,0,0]=3 2014 B19R2.46001 CCCCC(C)N[C@H](C)c1nc2ccccc2[nH]1 fe027f8aef0cc6d8ec0bd6c5da8acc07 [0,1,1,0,0,0|2,0,0]=4 2015 B19R2.46001 CCCCC(C)OC(C)c1nc2ccccc2s1 7b4943420109a8e2b6c44543c5e599ba [0,1,1,0,0,0|2,0,0]=4 2016 B19R2.46001 CCCC[C@@H](C)NC(=O)c1cc2ccccc2s1 fb42f39aed8773092f75f8c31781302f [0,1,1,0,0,0|2,0,0]=4 2017 B19R2.46001 CCCC[C@@H](C)NC(=O)c1nc2ccccc2o1 73281abf63195bf3bf4e8afb68ac3b7e [0,1,1,0,0,0|1,1,0]=4 2018 B19R2.46001 CCCC[C@@H](C)NC(=O)c1nc2ccccc2s1 ab8711d43ed3481367a703f604fed0bd [0,1,1,0,0,0|1,0,0]=3 2019 B19R2.46001 CCCC[C@@H](C)NC(=O)c1nc2cccnc2s1 c0622b5298fd12f0f35583eedb44e84b [0,1,1,0,0,0|2,0,0]=4 2020 B19R2.46001 CCCC[C@@H](C)NC(=O)c1nc2ccncc2s1 fa7996cde878d22eeb29649e36649671 [0,1,1,0,0,0|2,0,0]=4 2021 B19R2.46001 CCCC[C@@H](C)NC(=O)c1nc2cnccc2s1 f3169a0fd36b6770153cf2fa685213bc [0,1,1,0,0,0|2,0,0]=4 2022 B19R2.46001 C[C@H](CCCO)NC(=O)c1nc2ccccc2s1 ee4e8afcc98f1af17fa4d506fbd69981 [0,1,1,0,0,0|2,0,0]=4 2023 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2[nH]1 d6e9bebef69691b4e7e834b8d8e639d1 [0,1,1,0,0,0|2,0,0]=4 2024 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2o1 676bbb00810248f583c831c137a2af54 [0,1,1,0,0,0|1,1,0]=4 2025 B19R2.112266 CC(C)CCC(C)CNc1nc2ccccc2s1 8fba8f98372725027f1138e92dec6870 [0,1,1,0,0,0|2,0,0]=4 2026 B19R2.112266 CC(C)CCC(C)COc1nc2ccccc2s1 4661a121a21ad756420ee0dd20686925 [0,1,1,0,0,0|1,1,0]=4 2027 B19R2.112266 CC(C)CCC(C)NCc1cc2ccccc2s1 3e2e8d9b9863757b613bc2b778d2d784 [0,1,1,0,0,0|2,0,0]=4 2028 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2[nH]1 cd1be5cf5ccc131b894b8521832564d3 [0,1,1,0,0,0|2,0,0]=4 2029 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2o1 d30493c51fb76622c6d6c0640fab59b3 [0,1,1,0,0,0|1,1,0]=4 2030 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2s1 56c9ff8003f4927a9916ff7655e59c57 [0,1,1,0,0,0|1,0,0]=3 2031 B19R2.112266 CC(C)CCC(C)OCc1nc2ccccc2s1 61e4ccb17dae74454fa5671b87fad54c [0,1,1,0,0,0|2,0,0]=4 2032 B19R2.112266 CC(CCN(C)C)NCc1nc2ccccc2s1 8c66e660a5c2c207ca3dc84d09cdbc84 [0,1,1,0,0,0|2,0,0]=4 2033 B19R2.112266 C[C@@H](CCN(C)C)NCc1nc2ccccc2s1 cbcfe3d8a2fb50ffd4fee753b54d1edd [0,1,1,0,0,0|2,0,0]=4 2034 B19R2.112266 C[C@H](CCN(C)C)NCc1nc2ccccc2s1 aedcac51ae00c8c89a10e6a18dfe08b8 [0,1,1,0,0,0|2,0,0]=4 2035 B19R2.117586 CCCCC(CC)CNc1nc2ccccc2s1 582beb9ef566f9393eef46b0c07051ba [0,1,1,0,0,0|2,0,0]=4 2036 B19R2.117586 CCCCC(CC)COc1nc2ccccc2s1 d31ec1488745f877a03a9beb66550d37 [0,1,1,0,0,0|1,1,0]=4 2037 B19R2.117586 CCCCC(CC)NCc1cc2ccccc2s1 dedc76597a5982e796b05045f1c236eb [0,1,1,0,0,0|2,0,0]=4 2038 B19R2.117586 CCCCC(CC)NCc1nc2ccccc2[nH]1 bf3f56e6c925198f902e32599f692129 [0,1,1,0,0,0|2,0,0]=4 2039 B19R2.117586 CCCCC(CC)NCc1nc2ccccc2o1 3322cc08807755a62a42133d24047c62 [0,1,1,0,0,0|1,1,0]=4 2040 B19R2.117586 CCCCC(CC)NCc1nc2ccccc2s1 a772aa75bcae4c6299fdc7502f0b57d5 [0,1,1,0,0,0|1,0,0]=3 2041 B19R2.117586 CCCCC(CC)OCc1nc2ccccc2s1 5e413dfbe730c1e42f0bd2700c16e68d [0,1,1,0,0,0|2,0,0]=4 2042 B19R2.117586 CCCCC(CO)NCc1cc2ccccc2s1 b1caa5ec20d1b768c52648fecb99a2b0 [0,1,1,0,0,0|2,0,0]=4 2043 B19R2.117586 CCCCC(CO)NCc1nc2ccccc2[nH]1 21ae835307fa95ee5b696d6bef473a36 [0,1,1,0,0,0|2,0,0]=4 2044 B19R2.117586 CCCCC(CO)NCc1nc2ccccc2o1 849ba3defdbbf6f7305aeae92a857fb1 [0,1,1,0,0,0|1,1,0]=4 2045 B19R2.117586 CCCCC(CO)NCc1nc2ccccc2s1 24c7fbd3e7c278f2b11c8dfc95fbc1c2 [0,1,1,0,0,0|1,0,0]=3 2046 B19R2.117586 CCCC[C@@H](CC)CNc1nc2ccccc2s1 4f38cace946b481c7b9c153123469ce2 [0,1,1,0,0,0|2,0,0]=4 2047 B19R2.117586 CCCC[C@@H](CC)COc1nc2ccccc2s1 16f58c9f116ed9bc48cd52e22ddf9bfb [0,1,1,0,0,0|1,1,0]=4 2048 B19R2.117586 CCCC[C@@H](CO)NCc1cc2ccccc2s1 b8b16f811686d91ee5763589dd3b20b3 [0,1,1,0,0,0|2,0,0]=4 2049 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2[nH]1 9e8b0c46fa47c279e1679826d1bb9b3c [0,1,1,0,0,0|2,0,0]=4 2050 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2o1 c8a5d3fe668e5e3aefc45d36c53a0da8 [0,1,1,0,0,0|1,1,0]=4 2051 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2s1 fbba579652675c1e644c29fd2e13619e [0,1,1,0,0,0|1,0,0]=3 2052 B19R2.117586 CCCC[C@H](CO)NCc1cc2ccccc2s1 409b9a0260e5a4b01450534ac9609bfc [0,1,1,0,0,0|2,0,0]=4 2053 B19R2.117586 CCCC[C@H](CO)NCc1nc2ccccc2[nH]1 e2de08ff19890316af4d5f144a0e575b [0,1,1,0,0,0|2,0,0]=4 2054 B19R2.117586 CCCC[C@H](CO)NCc1nc2ccccc2o1 447d4245b484f25b7fc98fce274e4df0 [0,1,1,0,0,0|1,1,0]=4 2055 B19R2.117586 CCCC[C@H](CO)NCc1nc2ccccc2s1 56cc90f4bcfdfa15892de69713e028bf [0,1,1,0,0,0|1,0,0]=3 2056 B19R2.117586 CSCCC(CO)NCc1nc2ccccc2s1 38fa1c1fad36b55a8780bc4e0f3a0da0 [0,1,1,0,0,0|2,0,0]=4 2057 B19R2.117586 CSCC[C@@H](CO)NCc1nc2ccccc2s1 594aa7d2c1e7a22a76ec062be24f066d [0,1,1,0,0,0|2,0,0]=4 2058 B19R2.117586 CSCC[C@H](CO)NCc1nc2ccccc2s1 fa1a949af49f2f5b2d66f57298bd0a2d [0,1,1,0,0,0|2,0,0]=4 2059 B19R2.117586 OCCCC(CO)NCc1nc2ccccc2s1 e6f10de00b63438c76a2a4f21b78f3bf [0,1,1,0,0,0|2,0,0]=4 2060 B19R2.4701 CCC(COC)NCc1nc2cc(ccc2s1)F cf04a84e3dadb778d9d7d9c90f7a4505 [0,1,1,0,0,0|2,0,0]=4 2061 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)C d44f24130cd3a0da0135e5967c580d6c [0,1,1,0,0,0|2,0,0]=4 2062 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2o1)Cl 32b4b394bee9a462ef2d54cfe2ae3343 [0,1,1,0,0,0|1,1,0]=4 2063 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2[nH]1)Cl d7daa732454a3ed18af74f6d11a7a077 [0,1,1,0,0,0|2,0,0]=4 2064 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2o1)Cl 2e9bd021495497e395651a422a5aa73d [0,1,1,0,0,0|1,1,0]=4 2065 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2s1)Br 04519ed328a324f581d5d18cabbfc69b [0,1,1,0,0,0|1,0,0]=3 2066 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2s1)Cl 031ea707f3a79ada57864ebb26fc0dea [0,1,1,0,0,0|1,0,0]=3 2067 B19R2.4701 CCCC(CC)OCc1nc2cc(ccc2s1)F ef1bc9632ba6c8f55e4bfc117f8f22c0 [0,1,1,0,0,0|2,0,0]=4 2068 B19R2.4701 CCCC(CC)OCc1nc2ccc(cc2s1)F 019d9ade90e7c5019878204f58a145ec [0,1,1,0,0,0|2,0,0]=4 2069 B19R2.4701 CCCC(CO)NCc1nc2cc(ccc2s1)F d7ab01318f64847c45e2f57882abce7b [0,1,1,0,0,0|2,0,0]=4 2070 B19R2.4701 CCC[C@@H](CC)OCc1nc2cc(ccc2s1)F 52d4450ce07408758cd95cfd2325647d [0,1,1,0,0,0|2,0,0]=4 2071 B19R2.4701 CCC[C@@H](CO)NCc1nc2cc(ccc2s1)F f81e5078af08211b87fc1ee98689aa04 [0,1,1,0,0,0|2,0,0]=4 2072 B19R2.4701 CCC[C@H](CO)NCc1nc2cc(ccc2s1)F 823175939cb37a16bd2f022fe7e28ba6 [0,1,1,0,0,0|2,0,0]=4 2073 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C a6d4133235a431c5c1cae60e341d17fc [0,1,1,0,0,0|2,0,0]=4 2074 B19R2.4710 CCCC(CC)NCc1nc2c(cccc2[nH]1)C 9778df449304477ec84bd4fd554345f1 [0,1,1,0,0,0|2,0,0]=4 2075 B19R2.4710 CCCC(CC)NCc1nc2cccc(c2[nH]1)F 2fbbb67ed1fdc82cb68d99ba6b68e197 [0,1,1,0,0,0|2,0,0]=4 2076 B19R2.116019 CCC(COC)NC(=O)c1nc2ccccc2s1 b9ecd7ff31afa3a5558c742804575136 [0,1,1,0,0,0|2,0,0]=4 2077 B19R2.116019 CCCC(CC)NC(C)c1nc2ccccc2s1 b9300234db2ce1e3631f595d881535f6 [0,1,1,0,0,0|1,0,0]=3 2078 B19R2.116019 CCCC(CC)N[C@@H](C)c1nc2ccccc2s1 f57b8619c7a743064f08d87d44933ba7 [0,1,1,0,0,0|1,0,0]=3 2079 B19R2.116019 CCCC(CC)N[C@H](C)c1nc2ccccc2[nH]1 3cd91c37b8436f2b357bcf0311f0d750 [0,1,1,0,0,0|2,0,0]=4 2080 B19R2.116019 CCCC(CC)OC(C)c1nc2ccccc2s1 b936b7f7f26ea9077faf09d56fb119bb [0,1,1,0,0,0|2,0,0]=4 2081 B19R2.116019 CCCC(CO)NC(=O)c1nc2ccccc2s1 9e9163bca38451d29b128697ed55dab7 [0,1,1,0,0,0|2,0,0]=4 2082 B19R2.116019 CCC[C@@H](CO)NC(=O)c1nc2ccccc2s1 261da2bb5a0d36c1c715eda181ee0032 [0,1,1,0,0,0|2,0,0]=4 2083 B19R2.116019 CCC[C@H](CO)NC(=O)c1nc2ccccc2s1 e99b0dd5f25825fb3bc3abb5b30cf758 [0,1,1,0,0,0|2,0,0]=4 2084 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2[nH]1 42f00074d95bfa9e64004f816a3a5bdb [0,1,1,0,0,0|2,0,0]=4 2085 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2o1 1fc65e2f56a1b524ad620a0cb6c7a7fd [0,1,1,0,0,0|1,1,0]=4 2086 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2s1 ee08174fe75dc967fd9ecec9cb5cec1a [0,1,1,0,0,0|1,0,0]=3 2087 B19R2.121686 CCCC(CCC)CNc1nc2ccccc2s1 901709616770549cb4c26a23c521a6cf [0,1,1,0,0,0|2,0,0]=4 2088 B19R2.121686 CCCC(CCC)COc1nc2ccccc2s1 b49f2dcf4dba47f0d22dd2ef094dff2a [0,1,1,0,0,0|1,1,0]=4 2089 B19R2.121686 CCCC(CCC)NCc1cc2ccccc2s1 d67a1a17fd399e55686150dbbe3f16f7 [0,1,1,0,0,0|2,0,0]=4 2090 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2[nH]1 5777599ed618a78f31d7edf6561c2a41 [0,1,1,0,0,0|2,0,0]=4 2091 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2o1 023c8b3d3b75234ccc634c109b859eab [0,1,1,0,0,0|1,1,0]=4 2092 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2s1 d5e48fd63c0c8bae22c687fc504eccf1 [0,1,1,0,0,0|1,0,0]=3 2093 B19R2.121686 CCCC(CCC)OCc1nc2ccccc2s1 2a38921c0fb843ac9168678d31168fe2 [0,1,1,0,0,0|2,0,0]=4 2094 B19R2.121686 CCCC(CCO)NCc1cc2ccccc2s1 806b0c5983ac52586d8b40ebd012203e [0,1,1,0,0,0|2,0,0]=4 2095 B19R2.121686 CCCC(CCO)NCc1nc2ccccc2[nH]1 906760c65823149d0941d4330c14b71f [0,1,1,0,0,0|2,0,0]=4 2096 B19R2.121686 CCCC(CCO)NCc1nc2ccccc2o1 863cec9088b743823bffc9d66018e170 [0,1,1,0,0,0|1,1,0]=4 2097 B19R2.121686 CCCC(CCO)NCc1nc2ccccc2s1 893c03693d8271fc4db58e534d8837e9 [0,1,1,0,0,0|1,0,0]=3 2098 B19R2.121686 COCC(CCO)NCc1nc2ccccc2s1 742a0408b899ebd388d56099e5662013 [0,1,1,0,0,0|2,0,0]=4 2099 B19R2.121686 COCC(COC)NCc1nc2ccccc2s1 9669f279d74e9a048a7b01bfccaa1bb9 [0,1,1,0,0,0|2,0,0]=4 2100 B19R2.123382 CCCC(C)(CO)NCc1nc2ccccc2s1 6108ebfc14c6942a386d31b6179ea591 [0,1,1,0,0,0|2,0,0]=4 2101 B19R2.124549 CC(C)CC(CO)NCc1nc2ccccc2s1 f7314bca2a64f6ecc0573ecc01637677 [0,1,1,0,0,0|2,0,0]=4 2102 B19R2.124549 CC(C)C[C@@H](CO)NCc1nc2ccccc2s1 881fe688f2fd2f29db08e8ab8af3045c [0,1,1,0,0,0|2,0,0]=4 2103 B19R2.124549 CC(C)C[C@H](CO)NCc1nc2ccccc2s1 3ddffbb2e92caf3b839b4e10c0d7f15c [0,1,1,0,0,0|2,0,0]=4 2104 B19R2.124549 CCC(CN(C)C)NCc1nc2ccccc2s1 0bfa155a0ca3108c45e266444ffc01ca [0,1,1,0,0,0|2,0,0]=4 2105 B19R2.203889 CC(C)C(CCO)NCc1nc2ccccc2s1 7a8e1fa14bcd851e7df4aeca08d66b22 [0,1,1,0,0,0|2,0,0]=4 2106 B19R2.203889 CCCC(NCc1nc2ccccc2s1)C(=O)C 48a879c54c994fe1fad6bf9310357436 [0,1,1,0,0,0|1,0,1]=4 2107 B19R2.203889 COCC(NCc1nc2ccccc2s1)C(C)C f341d175946242d598bb5a341bd515c6 [0,1,1,0,0,0|2,0,0]=4 2108 B19R2.203889 COC[C@@H](NCc1nc2ccccc2s1)C(C)C 861cd6d419bcbdd90831d5a2db45cca0 [0,1,1,0,0,0|2,0,0]=4 2109 B19R2.203889 COC[C@H](NCc1nc2ccccc2s1)C(C)C 7849c96d83c12a962dd5ac3a14387727 [0,1,1,0,0,0|2,0,0]=4 2110 B19R2.209138 CCC(C)C(CO)NCc1nc2ccccc2s1 ec57e9fc857d22239b61d7a3c14ddf90 [0,1,1,0,0,0|2,0,0]=4 2111 B19R2.209138 CCC(O)C(CC)NCc1cc2ccccc2s1 c44289fae27e59703250d1fea0ff4b1e [0,1,1,0,0,0|2,0,0]=4 2112 B19R2.209138 CCC(O)C(CC)NCc1nc2ccccc2[nH]1 b521db92981a33c2503d53cc6fd7882c [0,1,1,0,0,0|2,0,0]=4 2113 B19R2.209138 CCC(O)C(CC)NCc1nc2ccccc2o1 87c2b5518a83dca8bcdbfbfd292c98b3 [0,1,1,0,0,0|1,1,0]=4 2114 B19R2.209138 CCC(O)C(CC)NCc1nc2ccccc2s1 39eb22272343155c972acc8fe10a6043 [0,1,1,0,0,0|1,0,0]=3 2115 B19R2.209138 CC[C@@H](C)[C@H](CO)NCc1nc2ccccc2s1 b90efe0735fdae69c1ba49799c5914ff [0,1,1,0,0,0|2,0,0]=4 2116 B19R2.209138 CC[C@H](C)[C@@H](CO)NCc1nc2ccccc2s1 8457c2452f4024a1c1ee3ea887bd296e [0,1,1,0,0,0|2,0,0]=4 2117 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)Br b996c7b4a9389d057846a63c993ed083 [0,1,1,0,0,0|2,0,0]=4 2118 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)C 0753c5f817b52b0d38d091af3b6916a4 [0,1,1,0,0,0|2,0,0]=4 2119 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)Cl 31e21d20a91467889c701f42a26a8e18 [0,1,1,0,0,0|2,0,0]=4 2120 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)F 7a51d29b8959a9b2f4875cd684210e50 [0,1,1,0,0,0|2,0,0]=4 2121 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)Br 294150ab82f2acc8bca1ef57624d2021 [0,1,1,0,0,0|2,0,0]=4 2122 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)C 543d0a2851f48b1ee666e81d3c66f064 [0,1,1,0,0,0|2,0,0]=4 2123 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)Cl 3011beca9c933ded4c919da64d393a24 [0,1,1,0,0,0|2,0,0]=4 2124 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)F 28df004eaf2eb84ed4c28f41035f4bb7 [0,1,1,0,0,0|2,0,0]=4 2125 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)I dddc005e622d8612db616ded6632599b [0,1,1,0,0,0|2,0,0]=4 2126 B19R2.1283 CCCCCCCOc1nc2ccc(cc2s1)C b27dca64edba705e01a877b7f1018fef [0,1,1,0,0,0|1,1,0]=4 2127 B19R2.1283 CCCCCCCOc1nc2ccc(cc2s1)Cl 1caaeecaddf80dd0b4f61a589a9e2dc0 [0,1,1,0,0,0|1,1,0]=4 2128 B19R2.1283 CCCCCCCOc1nc2ccc(cc2s1)F 610ac2fe993f658ec50b0c46593d1e69 [0,1,1,0,0,0|1,1,0]=4 2129 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Cl 7a92c71822ae4a78fd3d5f7e1f783af2 [0,1,1,0,0,0|2,0,0]=4 2130 B19R2.1283 CCCCCCNCc1cc2ccc(cc2s1)Br 5730225d2245c5d69be0dc352db363e0 [0,1,1,0,0,0|2,0,0]=4 2131 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)Br e31100368eec1b4d1c02cb7327502d55 [0,1,1,0,0,0|2,0,0]=4 2132 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)C 50f90d1a1dc52b96cf34e77b24b6ef82 [0,1,1,0,0,0|2,0,0]=4 2133 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)C e2905d87fc7c24e48ec86917795389f5 [0,1,1,0,0,0|1,1,0]=4 2134 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)Cl 8753003475334036b41cc928481f1a56 [0,1,1,0,0,0|1,1,0]=4 2135 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)F 251462bf7b1bc006a3aad12f717c8be2 [0,1,1,0,0,0|1,1,0]=4 2136 B19R2.1283 CCCCCCNCc1nc2cc(ccc2s1)F bca92df62d6034f139580e7ec8fa2b21 [0,1,1,0,0,0|1,0,0]=3 2137 B19R2.1283 CCCCCCNCc1nc2cc(cnc2s1)Cl fe0877e6f932cd6ab6a5f4297366705a [0,1,1,0,0,0|2,0,0]=4 2138 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)Cl 5c0365d407460c09e7a0bb6468a3e6aa [0,1,1,0,0,0|2,0,0]=4 2139 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)F 87098cc0f509d8a21310640c21c479c4 [0,1,1,0,0,0|2,0,0]=4 2140 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)C 8017422673ba474b2adbfde45ab53679 [0,1,1,0,0,0|1,1,0]=4 2141 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)Cl 2c40cd1b2a007f3a60c490bb377fb3ca [0,1,1,0,0,0|1,1,0]=4 2142 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)F 29dd71abdc377349cff7247a2258bf3a [0,1,1,0,0,0|1,1,0]=4 2143 B19R2.1283 CCCCCCNCc1nc2ccc(cc2s1)Br cb35b074e9eeb618c5e188de1a7456f5 [0,1,1,0,0,0|1,0,0]=3 2144 B19R2.1283 CCCCCCNCc1nc2ccc(cc2s1)Cl 5ce687f32524d9422d87e2c01f4cbc32 [0,1,1,0,0,0|1,0,0]=3 2145 B19R2.1283 CCCCCCOCc1nc2cc(ccc2s1)F 7e2268189a6ccc8fd1e6a1a94e280ed3 [0,1,1,0,0,0|2,0,0]=4 2146 B19R2.1283 CCCCCCOCc1nc2ccc(cc2s1)F 75c81d9ec3560730407bdf063546be69 [0,1,1,0,0,0|2,0,0]=4 2147 B19R2.1283 CCCCOCNCc1nc2ccc(cc2s1)Br b51833bc7ef15cc6eb9eeffc87287ae5 [0,1,1,0,0,0|2,0,0]=4 2148 B19R2.1283 CCCCOCNCc1nc2ccc(cc2s1)Cl f290e6fca6c92bc38243553507ddfdbc [0,1,1,0,0,0|2,0,0]=4 2149 B19R2.1283 CCCOCCNCc1nc2cc(ccc2s1)F d0fd1c7d7ec55e7f7cbd338a936c9a62 [0,1,1,0,0,0|2,0,0]=4 2150 B19R2.1283 CCCOCCNCc1nc2ccc(cc2s1)Br 6f3d09b02bd1809a5d092c7cd8c7c9a3 [0,1,1,0,0,0|2,0,0]=4 2151 B19R2.1283 CCCOCCNCc1nc2ccc(cc2s1)Cl 4ebc9a431fbaedf17859ac9b5d03f54a [0,1,1,0,0,0|2,0,0]=4 2152 B19R2.1283 CCOCCCNCc1nc2cc(ccc2s1)F f53a9b20af372bbe9d4d4eb4020a7758 [0,1,1,0,0,0|2,0,0]=4 2153 B19R2.1283 CCOCCCNCc1nc2ccc(cc2s1)Br 551bd8933673679fa612f61f78bbb177 [0,1,1,0,0,0|2,0,0]=4 2154 B19R2.1283 CCOCCCNCc1nc2ccc(cc2s1)Cl 04ebeebe4a477bb7b528dce9ba1916f5 [0,1,1,0,0,0|2,0,0]=4 2155 B19R2.1283 CCSCCCNCc1nc2ccc(cc2s1)Br 50f0c9f1b65415f94ea1fa9c7355612d [0,1,1,0,0,0|2,0,0]=4 2156 B19R2.1283 CCSCCCNCc1nc2ccc(cc2s1)Cl d41c623ff40267a676fbf5c1394d2fa0 [0,1,1,0,0,0|2,0,0]=4 2157 B19R2.1283 COCCCCNCc1nc2cc(ccc2s1)F a6726c7d5ba84faf2b06cab559c3171a [0,1,1,0,0,0|2,0,0]=4 2158 B19R2.1283 COCCCCNCc1nc2ccc(cc2s1)Br d37ae3ef86069e1095c1f2083cbf0c85 [0,1,1,0,0,0|2,0,0]=4 2159 B19R2.1283 COCCCCNCc1nc2ccc(cc2s1)Cl 5d81e43b6b7ae7f4b351209842dda302 [0,1,1,0,0,0|2,0,0]=4 2160 B19R2.1283 CSCCCCNCc1nc2cc(ccc2s1)F 078fe7d5ab88137989f2eced2fb4023d [0,1,1,0,0,0|2,0,0]=4 2161 B19R2.1283 FCCCCCNCc1nc2ccc(cc2s1)Br 7b2201ef216d054e5e2aa7d8a19c078d [0,1,1,0,0,0|2,0,0]=4 2162 B19R2.1283 FCCCCCNCc1nc2ccc(cc2s1)Cl fd31b5ff544f5e1c00e729987cb96fea [0,1,1,0,0,0|2,0,0]=4 2163 B19R2.1283 Fc1ccc2sc(nc2c1)CNCCCCCCl 76f7a31b2216c2894b67ff101751e41d [0,1,1,0,0,0|2,0,0]=4 2164 B19R2.1283 OCCCCCNCc1nc2cc(ccc2s1)F 3aa192a6e63a5cfe958867a1e101f8f8 [0,1,1,0,0,0|2,0,0]=4 2165 B19R2.1283 OCCCCCNCc1nc2ccc(cc2s1)Br fe1f8ae4578abaa357a915386e86cb1c [0,1,1,0,0,0|2,0,0]=4 2166 B19R2.1283 OCCCCCNCc1nc2ccc(cc2s1)Cl d295d0099ec17a30ff7c58c7a77b03dc [0,1,1,0,0,0|2,0,0]=4 2167 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)C 2836795de77af6bef5c2f69353b90948 [0,1,1,0,0,0|2,0,0]=4 2168 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)Cl 8d33835a45e4bcdec47d021797ba234c [0,1,1,0,0,0|2,0,0]=4 2169 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)F d3999454221302648c081b032b4d15b7 [0,1,1,0,0,0|2,0,0]=4 2170 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)I 923982a117ed0c2e11bcd517f2593ffc [0,1,1,0,0,0|2,0,0]=4 2171 B19R2.1288 CCCCCCCNc1nc2cccc(c2s1)C 260f79ba2e2dc2aaf1b0ffc62bf05444 [0,1,1,0,0,0|2,0,0]=4 2172 B19R2.1288 CCCCCCCNc1nc2cccc(c2s1)Cl ce6e4ee5ddae4e3f39558e2d32d4e0b9 [0,1,1,0,0,0|2,0,0]=4 2173 B19R2.1288 CCCCCCCNc1nc2cccc(c2s1)F 477ac63bd68d12069f3b6f67ef7b754d [0,1,1,0,0,0|2,0,0]=4 2174 B19R2.1288 CCCCCCCOc1nc2c(cccc2s1)C 3c72cab3897c7777a6c3e16099988d0b [0,1,1,0,0,0|1,1,0]=4 2175 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Br ab60ee27dc718ba4a3181a8bfaa53097 [0,1,1,0,0,0|2,0,0]=4 2176 B19R2.1288 CCCCCCNCc1cc2c(cccc2s1)Cl 30638cbad8421c64086e98d02dd928d4 [0,1,1,0,0,0|2,0,0]=4 2177 B19R2.1288 CCCCCCNCc1nc2c(cccc2[nH]1)C 83ae847a0e31962009071ab7848e36a3 [0,1,1,0,0,0|2,0,0]=4 2178 B19R2.1288 CCCCCCNCc1nc2c(cccc2o1)Cl c50fe9f484bf5c3f83841fd0bedb6046 [0,1,1,0,0,0|1,1,0]=4 2179 B19R2.1288 CCCCCCNCc1nc2c(cccc2o1)F 2bb750359fc334b2cc3e64ccbadc9cc3 [0,1,1,0,0,0|1,1,0]=4 2180 B19R2.1288 CCCCCCNCc1nc2cccc(c2[nH]1)F 23a012c4326828fbd2263005da545fef [0,1,1,0,0,0|2,0,0]=4 2181 B19R2.1288 CCCCCCNCc1nc2cccc(c2o1)F 6e1c7904fbd810a3d7849960c1b5c85f [0,1,1,0,0,0|1,1,0]=4 2182 B19R2.1288 CCCCCCOCc1nc2c(cccc2s1)F 73c01e4d27d685f09d14066f97ed8365 [0,1,1,0,0,0|2,0,0]=4 2183 B19R2.1549 CCCCC(C)COCc1nc2ccccc2s1 bcd9cde23d271fbf28dfa9d03c3d0a70 [0,1,1,0,0,0|2,0,0]=4 2184 B19R2.1549 CCCCC(C)NCSc1nc2ccccc2s1 d36b85baad7882f3f24d0fb5185171be [0,1,1,0,0,0|2,0,0]=4 2185 B19R2.1549 CCCCC(C)OCSc1nc2ccccc2s1 ed487e873b23c630e12f0b7235144668 [0,1,1,0,0,0|2,0,0]=4 2186 B19R2.1549 CCCCC(O)CNCc1cc2ccccc2s1 2dc767585d2c2d6214caac95c1dfa05e [0,1,1,0,0,0|2,0,0]=4 2187 B19R2.1549 CCCCC(O)CNCc1nc2ccccc2[nH]1 2d4aad326cb7fdacce8ed6eee0827cc0 [0,1,1,0,0,0|2,0,0]=4 2188 B19R2.1549 CCCCC(O)CNCc1nc2ccccc2o1 a379af12fee738e56702929f6818f3d6 [0,1,1,0,0,0|1,1,0]=4 2189 B19R2.1549 CCCCC(O)CNCc1nc2ccccc2s1 5dca2542d5e5da5568a4236aa79b8d38 [0,1,1,0,0,0|1,0,0]=3 2190 B19R2.1549 CCCC[C@@H](C)NCSc1nc2ccccc2s1 0d3e06fecaa1a175ae66e0ba24a5d19a [0,1,1,0,0,0|2,0,0]=4 2191 B19R2.1549 CCCC[C@@H](C)OCSc1nc2ccccc2s1 e45bc4480e00523f29ad255d39f7ff7a [0,1,1,0,0,0|2,0,0]=4 2192 B19R2.1549 CCCC[C@H](C)OCSc1nc2ccccc2s1 29df28d0edf0e36e32f28d6156f6cc04 [0,1,1,0,0,0|2,0,0]=4 2193 B19R2.1549 CCOCC(O)CNCc1nc2ccccc2s1 4b67b4007f05d0e0b60495e117666f8b [0,1,1,0,0,0|2,0,0]=4 2194 B19R2.1549 C[C@H](CCCO)CNCc1nc2ccccc2s1 2fbc65458b83a589a173d900a44523ad [0,1,1,0,0,0|2,0,0]=4 2195 B19R2.9156 CCCCCCNCc1nc2ccccc2n1C e47f564f8ae42c1b100687001f3ed4c7 [0,1,1,0,0,0|2,0,0]=4 2196 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Cl 5e652b2d5af328e5383635c10edabd97 [0,1,1,0,0,0|2,0,0]=4 2197 B19R2.10536 CCCC(C)CCOCc1nc2ccccc2s1 ae0a2712bb5f10f1013a0bef25ddcbfe [0,1,1,0,0,0|2,0,0]=4 2198 B19R2.10536 CCCC(C)COCSc1nc2ccccc2s1 fafc081f2365ba40662af6e176a9f2d7 [0,1,1,0,0,0|2,0,0]=4 2199 B19R2.10536 CCCC(S)CCOCc1nc2ccccc2s1 086a81fccddbd5342677836a23845fa7 [0,1,1,0,0,0|2,0,0]=4 2200 B19R2.10536 CCCN(C)CCCSc1nc2ccccc2s1 ad7399a77ce8dcf1e517a7af2f8b540a [0,1,1,0,0,0|2,0,0]=4 2201 B19R2.12592 CC(CO)CCCNCc1nc2ccccc2s1 32c699fdcd84c8b6d1972f696d09d2d6 [0,1,1,0,0,0|2,0,0]=4 2202 B19R2.12592 CCC(C)CCCOCc1nc2ccccc2s1 44508e9047680897c3caaed1418a637a [0,1,1,0,0,0|2,0,0]=4 2203 B19R2.12592 CCC(C)CCNCSc1nc2ccccc2s1 47249ca31ff1eb339ba4e103ef375141 [0,1,1,0,0,0|2,0,0]=4 2204 B19R2.12592 CCC(C)CCOCSc1nc2ccccc2s1 1ba8261d92aeb880656b8cb9d9e55a23 [0,1,1,0,0,0|2,0,0]=4 2205 B19R2.12592 CCC(C)COCCSc1nc2ccccc2s1 64f8b95d9d43f1cd51cd2e1224522866 [0,1,1,0,0,0|2,0,0]=4 2206 B19R2.12592 CCC(C)NCCCSc1nc2ccccc2s1 0492af6ea41ea107adbb5421af52b2ac [0,1,1,0,0,0|2,0,0]=4 2207 B19R2.12592 CCC(C)OCCCSc1nc2ccccc2s1 c7838cf5aec5a2f5b52c321f4a425918 [0,1,1,0,0,0|2,0,0]=4 2208 B19R2.12592 CCC(S)CCOCSc1nc2ccccc2s1 9548704d8b8b1bed4d4bcf230537e9f6 [0,1,1,0,0,0|2,0,0]=4 2209 B19R2.12592 CCN(C)CCCNCc1nc2ccccc2s1 750933a195376635ebb2c36b1578f8cf [0,1,1,0,0,0|2,0,0]=4 2210 B19R2.12592 CC[C@@H](C)COCCSc1nc2ccccc2s1 faf3c46773dbc5c083738eeb23c6f93a [0,1,1,0,0,0|2,0,0]=4 2211 B19R2.12592 CC[C@@H](C)NCCCSc1nc2ccccc2s1 98686b43262a654ed9c3766f3ef366dc [0,1,1,0,0,0|2,0,0]=4 2212 B19R2.12592 CC[C@@H](C)OCCCSc1nc2ccccc2s1 46a322a9a275ca6889f376db74c0ba07 [0,1,1,0,0,0|2,0,0]=4 2213 B19R2.12592 CC[C@H](C)CCCOCc1nc2ccccc2s1 d2fe6ecb3189d5db1209bf8f33af7382 [0,1,1,0,0,0|2,0,0]=4 2214 B19R2.12592 CC[C@H](C)CCOCSc1nc2ccccc2s1 e8c0f38ee8afa498fb9884f7e4708add [0,1,1,0,0,0|2,0,0]=4 2215 B19R2.12592 CC[C@H](C)COCCSc1nc2ccccc2s1 6371a4636e2ff2f3375d8dc75226c436 [0,1,1,0,0,0|2,0,0]=4 2216 B19R2.12592 CC[C@H](C)NCCCSc1nc2ccccc2s1 5261a42141fb5d4b3d095ed0cfac4141 [0,1,1,0,0,0|2,0,0]=4 2217 B19R2.12592 CC[C@H](C)OCCCSc1nc2ccccc2s1 2954743d9028840047aa22f1b0b5a445 [0,1,1,0,0,0|2,0,0]=4 2218 B19R2.13041 C#CCCCCCNCc1nc2ccccc2s1 29535398021480523e3fd3a500ec3a48 [0,1,1,0,0,0|1,0,1]=4 2219 B19R2.13041 C#CCCCCNCSc1nc2ccccc2s1 d1ac2644546e42665b7132751548b40c [0,1,1,0,0,0|0,0,2]=4 2220 B19R2.13041 C=CCCCCCNCc1nc2ccccc2s1 fab22ec6e48a572a360ae302ad1caf63 [0,1,1,0,0,0|1,0,1]=4 2221 B19R2.13041 C=CCCCCNCSc1nc2ccccc2s1 c9f9e8a1e272eb848f588ef477ea5efb [0,1,1,0,0,0|0,0,2]=4 2222 B19R2.13041 CCCC/C=C/CNCc1nc2ccccc2s1 cc9bae083c5ca37a579ad4ab686d2308 [0,1,1,0,0,0|1,0,1]=4 2223 B19R2.13041 CCCC/C=C\CNCc1nc2ccccc2s1 ed7c9ca7d042538519d6a156d61c9617 [0,1,1,0,0,0|1,0,1]=4 2224 B19R2.13041 CCCCCCCCNc1nc2ccccc2s1 f523e0b044f716c7b5a48b1e0cfac886 [0,1,1,0,0,0|2,0,0]=4 2225 B19R2.13041 CCCCCCCCOc1nc2ccccc2s1 5349230e3227be2a4c2256b9e486b6b2 [0,1,1,0,0,0|1,1,0]=4 2226 B19R2.13041 CCCCCCCNCc1cc2ccccc2s1 b2ca99ddc0495027fa52b4a6c45793c7 [0,1,1,0,0,0|2,0,0]=4 2227 B19R2.13041 CCCCCCCNCc1nc2ccccc2[nH]1 cc73e90799af281b174672974b706f91 [0,1,1,0,0,0|2,0,0]=4 2228 B19R2.13041 CCCCCCCNCc1nc2ccccc2o1 4f8dba845f69ba854a16103d4278c94e [0,1,1,0,0,0|1,1,0]=4 2229 B19R2.13041 CCCCCCCNCc1nc2ccccc2s1 23191e0dafe757f2af8396196c7b96e9 [0,1,1,0,0,0|1,0,0]=3 2230 B19R2.13041 CCCCCCCOCc1nc2ccccc2s1 533604a473e37eb2f431a38156f9c8dc [0,1,1,0,0,0|1,1,0]=4 2231 B19R2.13041 CCCCCCNCCc1cc2ccccc2s1 2bde518e3e9a42f346833dc90ff4956b [0,1,1,0,0,0|2,0,0]=4 2232 B19R2.13041 CCCCCCNCCc1nc2ccccc2[nH]1 b74a6d1685bae927a7e59edf5f66423f [0,1,1,0,0,0|2,0,0]=4 2233 B19R2.13041 CCCCCCNCCc1nc2ccccc2s1 9b970f473d0ea202980f1bcb87b5fce0 [0,1,1,0,0,0|1,0,0]=3 2234 B19R2.13041 CCCCCCNCSc1nc2ccccc2s1 71ae1698d2bff37cd76322c844777047 [0,1,1,0,0,0|0,0,0]=2 2235 B19R2.13041 CCCCCCOCCc1nc2ccccc2s1 49d1f73d5d81461073f7b6f3663a484a [0,1,1,0,0,0|2,0,0]=4 2236 B19R2.13041 CCCCCCOCSc1nc2ccccc2s1 b4490c54a3113080264124fc19cf75dd [0,1,1,0,0,0|1,0,0]=3 2237 B19R2.13041 CCCCCOCCSc1nc2ccccc2o1 1733bd77ffb5d1d235518caf5325ccfb [0,1,1,0,0,0|1,1,0]=4 2238 B19R2.13041 CCCCCOCCSc1nc2ccccc2s1 ecd5afd8a6264aed2aa0ad87812c3df2 [0,1,1,0,0,0|1,0,0]=3 2239 B19R2.13041 CCCCNCCCSc1nc2ccccc2s1 0f6811a8378618398f6ad9f0cba5b442 [0,1,1,0,0,0|1,0,0]=3 2240 B19R2.13041 CCCCOCCCSc1nc2ccccc2s1 1e8dbac1c531be2135d2cf1180586f0e [0,1,1,0,0,0|1,0,0]=3 2241 B19R2.13041 CCCCOCCNCc1cc2ccccc2s1 824b2883713c466468f3514252b96f67 [0,1,1,0,0,0|2,0,0]=4 2242 B19R2.13041 CCCCOCCNCc1nc2ccccc2[nH]1 f594853ac2d61cce42ea6993aa3ff356 [0,1,1,0,0,0|2,0,0]=4 2243 B19R2.13041 CCCCOCCNCc1nc2ccccc2o1 3de1e9b5a5d274ca90784dc7b3062646 [0,1,1,0,0,0|1,1,0]=4 2244 B19R2.13041 CCCCOCCNCc1nc2ccccc2s1 5ad588e69fef503e1cc5832fdba4f535 [0,1,1,0,0,0|1,0,0]=3 2245 B19R2.13041 CCCCOCCOCc1nc2ccccc2s1 6bac938f33fb340f91a70e8ae47c2b9e [0,1,1,0,0,0|2,0,0]=4 2246 B19R2.13041 CCCCOCNCCc1nc2ccccc2s1 a28c1f269c68439aa252d2fe07a0b985 [0,1,1,0,0,0|2,0,0]=4 2247 B19R2.13041 CCCCSCCOCc1nc2ccccc2s1 69c9a96217cde820d7d8b03d42a6a34c [0,1,1,0,0,0|2,0,0]=4 2248 B19R2.13041 CCCOCCCNCc1cc2ccccc2s1 5a2bf76547becfc999adb0f8d1cc3006 [0,1,1,0,0,0|2,0,0]=4 2249 B19R2.13041 CCCOCCCNCc1nc2ccccc2[nH]1 6ad3c3e2c7e4115a76b8729f17bdb3d2 [0,1,1,0,0,0|2,0,0]=4 2250 B19R2.13041 CCCOCCCNCc1nc2ccccc2o1 232d1fe357ab69aa868eed32bbcbd33a [0,1,1,0,0,0|1,1,0]=4 2251 B19R2.13041 CCCOCCCNCc1nc2ccccc2s1 ef89d125225794bc806bdcea4a58eb5a [0,1,1,0,0,0|1,0,0]=3 2252 B19R2.13041 CCCOCCCOCc1nc2ccccc2s1 0c9d1a147023ac0e9415cb77994dea71 [0,1,1,0,0,0|2,0,0]=4 2253 B19R2.13041 CCCOCCNCCc1nc2ccccc2s1 96a1d8758224d9f04d4551bb40d65788 [0,1,1,0,0,0|2,0,0]=4 2254 B19R2.13041 CCCOCCOCSc1nc2ccccc2s1 e5dd5e429629f3599d8af23e014dea35 [0,1,1,0,0,0|2,0,0]=4 2255 B19R2.13041 CCCSCCCCNc1nc2ccccc2s1 a60b8a34df040c1f5400e045227ddede [0,1,1,0,0,0|2,0,0]=4 2256 B19R2.13041 CCCSCCOCSc1nc2ccccc2s1 3490ec410590e145d0c24d403220b534 [0,1,1,0,0,0|2,0,0]=4 2257 B19R2.13041 CCOCCCNCCc1nc2ccccc2s1 ed730f3e536fa1a5d42546cd71227c05 [0,1,1,0,0,0|2,0,0]=4 2258 B19R2.13041 CCOCCCOCSc1nc2ccccc2s1 0d6128f55df8a6937417d8f1277ecca4 [0,1,1,0,0,0|2,0,0]=4 2259 B19R2.13041 CCOCCOCCSc1nc2ccccc2s1 096e911e73e716bdb49d6013fe174f53 [0,1,1,0,0,0|2,0,0]=4 2260 B19R2.13041 CCSCCCCNCc1cc2ccccc2s1 ca2e4e8b19ca895119bbfbd561febbed [0,1,1,0,0,0|2,0,0]=4 2261 B19R2.13041 CCSCCCCNCc1nc2ccccc2[nH]1 746572f421ce7c78e232b375dccf0dcc [0,1,1,0,0,0|2,0,0]=4 2262 B19R2.13041 CCSCCCCNCc1nc2ccccc2o1 a1f2539f575a3f40af367c3831e19dfd [0,1,1,0,0,0|1,1,0]=4 2263 B19R2.13041 CCSCCCCNCc1nc2ccccc2s1 8ae1f6e0de6ec6a23d258e88920470e0 [0,1,1,0,0,0|1,0,0]=3 2264 B19R2.13041 CCSCCCNCCc1nc2ccccc2s1 5d95d112237a3ce9434f8bdb35011d51 [0,1,1,0,0,0|2,0,0]=4 2265 B19R2.13041 CCSCCCOCSc1nc2ccccc2s1 745cbf6e9c16cf5171bca71c396b4534 [0,1,1,0,0,0|2,0,0]=4 2266 B19R2.13041 CCSCCOCCSc1nc2ccccc2s1 895340fbb71c9e1941d113b6d07bf56f [0,1,1,0,0,0|2,0,0]=4 2267 B19R2.13041 COCCCCCCNc1nc2ccccc2s1 3b3bdf85aec753dfc1bf1c9053e94052 [0,1,1,0,0,0|2,0,0]=4 2268 B19R2.13041 COCCCCCCOc1nc2ccccc2s1 729375de7520c56ff68e1a48566e1238 [0,1,1,0,0,0|1,1,0]=4 2269 B19R2.13041 COCCCCCNCc1cc2ccccc2s1 242a0c7dfdd9cbcc14bd83b8d3e82fc6 [0,1,1,0,0,0|2,0,0]=4 2270 B19R2.13041 COCCCCCNCc1nc2ccccc2[nH]1 ee83e8dcf5060fd0fa3a38b349fb45de [0,1,1,0,0,0|2,0,0]=4 2271 B19R2.13041 COCCCCCNCc1nc2ccccc2o1 1edea17dadbdcd74d973476b6d10f4ea [0,1,1,0,0,0|1,1,0]=4 2272 B19R2.13041 COCCCCCNCc1nc2ccccc2s1 10fc771896ac3486f79e42bc523e08f9 [0,1,1,0,0,0|1,0,0]=3 2273 B19R2.13041 COCCCCCOCc1nc2ccccc2s1 34e6a9861bed79b06219c9b061a3343b [0,1,1,0,0,0|2,0,0]=4 2274 B19R2.13041 COCCCCNCCc1nc2ccccc2s1 cc2798b9df7745dc1985fca520289582 [0,1,1,0,0,0|2,0,0]=4 2275 B19R2.13041 COCCCCNCSc1nc2ccccc2s1 1ea88e6cd019e852779b8068c45b2d8a [0,1,1,0,0,0|1,0,0]=3 2276 B19R2.13041 COCCCCOCSc1nc2ccccc2s1 c69b1a5b6d65cc87a27740ab8f5117df [0,1,1,0,0,0|2,0,0]=4 2277 B19R2.13041 COCCCOCCSc1nc2ccccc2s1 c7e08a89975292269f6f4f36d622b524 [0,1,1,0,0,0|2,0,0]=4 2278 B19R2.13041 COCCNCCCSc1nc2ccccc2s1 5a9bbf53c3c555058a8cc084386a4ca7 [0,1,1,0,0,0|2,0,0]=4 2279 B19R2.13041 COCCOCCCSc1nc2ccccc2s1 fa2ef7b5c56fefd1066ccea57ec103b5 [0,1,1,0,0,0|2,0,0]=4 2280 B19R2.13041 COCCOCCNCc1nc2ccccc2s1 8716afd812fc131a71c3ccabc249c9d3 [0,1,1,0,0,0|2,0,0]=4 2281 B19R2.13041 CSCCCCNCSc1nc2ccccc2s1 76ee806c694afce6eed7f772ba6f433c [0,1,1,0,0,0|1,0,0]=3 2282 B19R2.13041 CSCCCCOCSc1nc2ccccc2s1 da0e14b87a355ca75c71aa1a19f68949 [0,1,1,0,0,0|2,0,0]=4 2283 B19R2.13041 CSCCCOCCSc1nc2ccccc2s1 92324307c5d031cca3c62cf1ef86d149 [0,1,1,0,0,0|2,0,0]=4 2284 B19R2.13041 CSCCNCCCSc1nc2ccccc2s1 ded4b779f26b424fa76bd4da57c8c2d7 [0,1,1,0,0,0|2,0,0]=4 2285 B19R2.13041 CSCCOCCCSc1nc2ccccc2s1 4eddc2d1cb539088996eca55f053d4cb [0,1,1,0,0,0|2,0,0]=4 2286 B19R2.13041 ClCCCCCCNCc1cc2ccccc2s1 806984370eafbd2ad0f97f44cc2f7768 [0,1,1,0,0,0|2,0,0]=4 2287 B19R2.13041 ClCCCCCCNCc1nc2ccccc2[nH]1 fa1a727eedf678efadc44f2bd3cd8b65 [0,1,1,0,0,0|2,0,0]=4 2288 B19R2.13041 ClCCCCCCNCc1nc2ccccc2o1 24be51086ed25e51b4b90c18f26a7c7a [0,1,1,0,0,0|1,1,0]=4 2289 B19R2.13041 ClCCCCCCNCc1nc2ccccc2s1 85fa840951f9b0a969f934a6e91629f9 [0,1,1,0,0,0|1,0,0]=3 2290 B19R2.13041 ClCCCCCNCSc1nc2ccccc2s1 cda3f5061256b8f0fb7e1c5e82a85345 [0,1,1,0,0,0|1,0,0]=3 2291 B19R2.13041 ClCCCNCCCSc1nc2ccccc2s1 5aafc78bc68c2874dc675fe478b25fba [0,1,1,0,0,0|2,0,0]=4 2292 B19R2.13041 FCCCCCCNCc1cc2ccccc2s1 49c356f47354925b5425f7e6843bb18f [0,1,1,0,0,0|2,0,0]=4 2293 B19R2.13041 FCCCCCCNCc1nc2ccccc2[nH]1 37bd86ef50278a1baecfba9327f34d95 [0,1,1,0,0,0|2,0,0]=4 2294 B19R2.13041 FCCCCCCNCc1nc2ccccc2o1 6cec108dc88fcf18945065f605c2e1c6 [0,1,1,0,0,0|1,1,0]=4 2295 B19R2.13041 FCCCCCCNCc1nc2ccccc2s1 0087a52f5149bd7d6acc519d278c673a [0,1,1,0,0,0|1,0,0]=3 2296 B19R2.13041 FCCCCCCOCc1nc2ccccc2s1 92616983c5a04f6e0f24243431670fa8 [0,1,1,0,0,0|2,0,0]=4 2297 B19R2.13041 FCCCCCNCCc1nc2ccccc2s1 bc884e3ee2f4f0350019df0a47987b5f [0,1,1,0,0,0|2,0,0]=4 2298 B19R2.13041 FCCCCOCCSc1nc2ccccc2s1 d53e6152e8321c3b368409eaca215c5d [0,1,1,0,0,0|2,0,0]=4 2299 B19R2.13041 FCCCOCCCSc1nc2ccccc2s1 82e606f9007a1c6f1be79ff4e6dde6b2 [0,1,1,0,0,0|2,0,0]=4 2300 B19R2.13041 N#CCCCCCNCc1nc2ccccc2s1 4ac46e7ba074a5e256ef4ba01cbd846e [0,1,1,0,0,0|1,0,1]=4 2301 B19R2.13041 N#CCCCCNCSc1nc2ccccc2s1 9f9c58065c307d945db2055105d0b215 [0,1,1,0,0,0|1,0,1]=4 2302 B19R2.13041 O=CCCCCCNCc1nc2ccccc2s1 5b36b421a62a182b714ea283260f1755 [0,1,1,0,0,0|1,0,1]=4 2303 B19R2.13041 OCCCCCCCNc1nc2ccccc2s1 6c302b3551c3c34eb0259672b9911f28 [0,1,1,0,0,0|2,0,0]=4 2304 B19R2.13041 OCCCCCCNCc1cc2ccccc2s1 d24031a6f4132823a6249b3ae7afbb29 [0,1,1,0,0,0|2,0,0]=4 2305 B19R2.13041 OCCCCCCNCc1nc2ccccc2[nH]1 0e3801068356d5db9228330eef36bb75 [0,1,1,0,0,0|2,0,0]=4 2306 B19R2.13041 OCCCCCCNCc1nc2ccccc2o1 de903f11e73b8549beb5dd7ec12307b1 [0,1,1,0,0,0|1,1,0]=4 2307 B19R2.13041 OCCCCCCNCc1nc2ccccc2s1 c08d809d526cfb7405489e8ca4c5eb1c [0,1,1,0,0,0|1,0,0]=3 2308 B19R2.13041 OCCCCCNCCc1nc2ccccc2s1 458d7c8ab1815a77a0e7f362427fdd1f [0,1,1,0,0,0|2,0,0]=4 2309 B19R2.13041 OCCCCCNCSc1nc2ccccc2s1 222b4aa4fa3fab24ace9ee84b7915fd8 [0,1,1,0,0,0|1,0,0]=3 2310 B19R2.13041 OCCCNCCCSc1nc2ccccc2s1 3a8bfbccc83ccbcfecc79282746fb6b2 [0,1,1,0,0,0|2,0,0]=4 2311 B19R2.13041 OCCCOCCNCc1nc2ccccc2s1 32383d628e6052438ea1c8a88718a3e3 [0,1,1,0,0,0|2,0,0]=4 2312 B19R2.13041 OCCOCCCNCc1nc2ccccc2s1 499a3fb3282bed971b0e94ae82532088 [0,1,1,0,0,0|2,0,0]=4 2313 B19R2.13041 OCCOCCNCSc1nc2ccccc2s1 6519197c4f9add4e3143931fe8740946 [0,1,1,0,0,0|2,0,0]=4 2314 B19R2.13041 OCCSCCNCSc1nc2ccccc2s1 0700465fb580342fc5c92ffcc06f41f2 [0,1,1,0,0,0|2,0,0]=4 2315 B19R2.13041 SCCCCCCOCc1nc2ccccc2s1 6e83a00a9ef7d5ee6d553dd14689b031 [0,1,1,0,0,0|2,0,0]=4 2316 B19R2.13041 SCCCOCCCSc1nc2ccccc2s1 d2bcc66881fbf793d165d526d4959049 [0,1,1,0,0,0|2,0,0]=4 2317 B19R2.13041 SCCOCCNCSc1nc2ccccc2s1 4b495d1f286642bd6693f6a26d75161b [0,1,1,0,0,0|2,0,0]=4 2318 B19R2.13487 CC(=O)CCCCNCc1nc2ccccc2s1 bba08332dac5bc295b9b97da491c97ba [0,1,1,0,0,0|1,0,1]=4 2319 B19R2.13487 CC(C)CCCCCNc1nc2ccccc2s1 430b308f641951bf1c5f23238c9f9174 [0,1,1,0,0,0|2,0,0]=4 2320 B19R2.13487 CC(C)CCCCCOc1nc2ccccc2s1 8efc4898d30a45be8c3e477a51873541 [0,1,1,0,0,0|1,1,0]=4 2321 B19R2.13487 CC(C)CCCCNCc1cc2ccccc2s1 321bd8c44879b69005d67404ab72fc3e [0,1,1,0,0,0|2,0,0]=4 2322 B19R2.13487 CC(C)CCCCNCc1nc2ccccc2[nH]1 8bc5b73aaac158331b9771bda0aaff2e [0,1,1,0,0,0|2,0,0]=4 2323 B19R2.13487 CC(C)CCCCNCc1nc2ccccc2o1 fb305c67e68fad3d19a0c69dd7eb10e0 [0,1,1,0,0,0|1,1,0]=4 2324 B19R2.13487 CC(C)CCCCNCc1nc2ccccc2s1 85c129f466fbfd688c96f0ea373e6530 [0,1,1,0,0,0|1,0,0]=3 2325 B19R2.13487 CC(C)CCCCOCc1nc2ccccc2s1 40c8098df50c253b6b2fc7a7fc4c99bb [0,1,1,0,0,0|2,0,0]=4 2326 B19R2.13487 CC(C)CCCNCSc1nc2ccccc2s1 344b54b005e2709d8e56e9338719a6da [0,1,1,0,0,0|2,0,0]=4 2327 B19R2.13487 CC(C)CCCOCSc1nc2ccccc2s1 091953ca52a8cb4039dfcf3a1ded02a2 [0,1,1,0,0,0|2,0,0]=4 2328 B19R2.13487 CC(C)CCOCCSc1nc2ccccc2s1 52d54ae666f3fc51861686374c6a2ebb [0,1,1,0,0,0|2,0,0]=4 2329 B19R2.13487 CC(C)CNCCCSc1nc2ccccc2s1 2dcf7d69050facd7ff052d16e05f6ffb [0,1,1,0,0,0|2,0,0]=4 2330 B19R2.13487 CC(C)COCCCSc1nc2ccccc2s1 e516d16c5f10078c2222200accb60e1b [0,1,1,0,0,0|2,0,0]=4 2331 B19R2.13487 CC(C)COCCNCc1nc2ccccc2s1 4db40c8188d551323f7a703400646705 [0,1,1,0,0,0|2,0,0]=4 2332 B19R2.13487 CC(C)OCCCNCc1nc2ccccc2s1 b5dfd1b9da59a067d4b3999326835991 [0,1,1,0,0,0|2,0,0]=4 2333 B19R2.13487 CC(C)SCCCNCc1nc2ccccc2s1 903af48d7893a35ccad4692437896123 [0,1,1,0,0,0|2,0,0]=4 2334 B19R2.13487 CC(F)COCCCSc1nc2ccccc2s1 84ef4a9e356b79cec78f77a9e5cc7204 [0,1,1,0,0,0|2,0,0]=4 2335 B19R2.13487 CC(O)CCCCNCc1cc2ccccc2s1 3a41fc01996cb422db81f87bb748d580 [0,1,1,0,0,0|2,0,0]=4 2336 B19R2.13487 CC(O)CCCCNCc1nc2ccccc2[nH]1 c3c56fcb85eb069c24a7ff9a931bf022 [0,1,1,0,0,0|2,0,0]=4 2337 B19R2.13487 CC(O)CCCCNCc1nc2ccccc2o1 42fd638bd41ab21009b58ec8cccf208e [0,1,1,0,0,0|1,1,0]=4 2338 B19R2.13487 CC(O)CCCCNCc1nc2ccccc2s1 b30957e76a0f3d6e35b26b2686263f22 [0,1,1,0,0,0|1,0,0]=3 2339 B19R2.13487 CC(O)CNCCCSc1nc2ccccc2s1 7cf64317bbdf3642f3751990c6c717ad [0,1,1,0,0,0|2,0,0]=4 2340 B19R2.13487 CC(S)COCCCSc1nc2ccccc2s1 9021edf72f21670ba3c0312d65b552e7 [0,1,1,0,0,0|2,0,0]=4 2341 B19R2.13487 CN(C)CCCCNCc1nc2ccccc2s1 1c6427467479da7c0bc86bf04a913e76 [0,1,1,0,0,0|2,0,0]=4 2342 B19R2.13487 C[C@@H](F)COCCCSc1nc2ccccc2s1 bdb33a1f8664055e81c775551105dba8 [0,1,1,0,0,0|2,0,0]=4 2343 B19R2.13487 C[C@@H](O)CCCCNCc1cc2ccccc2s1 27569aab3fb6030ac82805573cf9fdf2 [0,1,1,0,0,0|2,0,0]=4 2344 B19R2.13487 C[C@@H](O)CCCCNCc1nc2ccccc2[nH]1 0ca48ee24089585db5eaa82fd10bf07e [0,1,1,0,0,0|2,0,0]=4 2345 B19R2.13487 C[C@@H](O)CCCCNCc1nc2ccccc2o1 e4ddb7c07c6c3c42285ffb01da7663aa [0,1,1,0,0,0|1,1,0]=4 2346 B19R2.13487 C[C@@H](O)CCCCNCc1nc2ccccc2s1 aa94b775a4a84c64d745cf4f2c4d770f [0,1,1,0,0,0|1,0,0]=3 2347 B19R2.13487 C[C@@H](O)CNCCCSc1nc2ccccc2s1 e9eea40cbc25101368e431c50702ba33 [0,1,1,0,0,0|2,0,0]=4 2348 B19R2.13487 C[C@H](F)COCCCSc1nc2ccccc2s1 60086e7a149d56eab019801cc2e6c928 [0,1,1,0,0,0|2,0,0]=4 2349 B19R2.13487 C[C@H](O)CNCCCSc1nc2ccccc2s1 14e19a97fbab5f80577611c88badb8ca [0,1,1,0,0,0|2,0,0]=4 2350 B19R2.13487 FC(F)CCCCNCc1nc2ccccc2s1 b5cfe2acc0111329fbd318809ee2ce36 [0,1,1,0,0,0|2,0,0]=4 2351 B19R2.20961 CCCCCCC(=O)Nc1nc2ccccc2s1 aa0ca9adf4c69b18d603f9b02e1d0644 [0,1,1,0,0,0|2,0,0]=4 2352 B19R2.20961 CCCCCCC(C)Nc1nc2ccccc2s1 1bd8042d18f6daf8be4d7ff5914cb3de [0,1,1,0,0,0|2,0,0]=4 2353 B19R2.20961 CCCCCCC(C)Oc1nc2ccccc2s1 23e78e93d185f9d8a2c36208de994f26 [0,1,1,0,0,0|1,1,0]=4 2354 B19R2.20961 CCCCCCN(C)Cc1cc2ccccc2s1 4376ba808654fd97ea2b22c31159f251 [0,1,1,0,0,0|2,0,0]=4 2355 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 7dff243ab349b2c32715dfa25d27c5c0 [0,1,1,0,0,0|2,0,0]=4 2356 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2o1 db78a737a2b8d450be6e84eed59c358c [0,1,1,0,0,0|1,1,0]=4 2357 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 9029f78675946723313cb196b77e2771 [0,1,1,0,0,0|1,0,0]=3 2358 B19R2.20961 CCCCOCC(F)Sc1nc2ccccc2s1 e7b48439fb0fce46420a708c94ba7879 [0,1,1,0,0,0|2,0,0]=4 2359 B19R2.20961 CCCCOCN(C)Cc1nc2ccccc2s1 44dfb70c563888cd22419ec7da44a331 [0,1,1,0,0,0|2,0,0]=4 2360 B19R2.20961 CCOCCCN(C)Cc1nc2ccccc2s1 4266139f6a5b61eb44029f6409e83d8b [0,1,1,0,0,0|2,0,0]=4 2361 B19R2.20961 CCSCCCN(C)Cc1nc2ccccc2s1 67b1dbb338f7d51eb88a3239afd7aa10 [0,1,1,0,0,0|2,0,0]=4 2362 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 36fc486cab349dfc18b8acb7b818504d [0,1,1,0,0,0|2,0,0]=4 2363 B19R2.20961 COCCCCN(C)Cc1nc2ccccc2s1 a5c4dda3683807489b2c7dd157dda4a1 [0,1,1,0,0,0|2,0,0]=4 2364 B19R2.52042 CC(NCCCCCF)c1nc2ccccc2s1 34ee6b228ebcf25010c6f06a1ab34306 [0,1,1,0,0,0|2,0,0]=4 2365 B19R2.52042 CC(NCCCCCO)c1nc2ccccc2s1 236ece034954d16c4a95559883acd8e8 [0,1,1,0,0,0|2,0,0]=4 2366 B19R2.52042 CCCCCCCN(C)c1nc2ccccc2s1 e9066dec79ef639b6be98d9a441bfc4d [0,1,1,0,0,0|2,0,0]=4 2367 B19R2.52042 CCCCCCNC(=O)c1cc2ccccc2s1 29ceb573fa30f232f4c0c7b5649d63db [0,1,1,0,0,0|2,0,0]=4 2368 B19R2.52042 CCCCCCNC(=O)c1nc2ccccc2o1 f4a39fd84b0ac5710a8591706175851e [0,1,1,0,0,0|1,1,0]=4 2369 B19R2.52042 CCCCCCNC(=O)c1nc2ccccc2s1 b1720918986dc04e516ad47bb5d2a9a6 [0,1,1,0,0,0|1,0,0]=3 2370 B19R2.52042 CCCCCCNC(=O)c1nc2cccnc2s1 5145d6ab7920ec294415f29175a5858b [0,1,1,0,0,0|2,0,0]=4 2371 B19R2.52042 CCCCCCNC(=O)c1nc2ccncc2s1 6220fb1e770ccb37988489f985a93b68 [0,1,1,0,0,0|2,0,0]=4 2372 B19R2.52042 CCCCCCNC(=O)c1nc2cnccc2s1 da3fe8abfe2ff803c272c2570f589ca0 [0,1,1,0,0,0|2,0,0]=4 2373 B19R2.52042 CCCCCCNC(C)c1nc2ccccc2s1 ac8e5a24cae6876aee422d4166a2dfdd [0,1,1,0,0,0|1,0,0]=3 2374 B19R2.52042 CCCCCCN[C@@H](C)c1cc2ccccc2s1 f1912cf568cc5fa5679a16bfe430546f [0,1,1,0,0,0|2,0,0]=4 2375 B19R2.52042 CCCCCCN[C@@H](C)c1nc2ccccc2s1 dcffa5d21e517f7611f11ea3c88d73dd [0,1,1,0,0,0|1,0,0]=3 2376 B19R2.52042 CCCCCCN[C@H](C)c1nc2ccccc2[nH]1 9a03dd20ae5aa34c87c8c9919bd5bdf9 [0,1,1,0,0,0|2,0,0]=4 2377 B19R2.52042 CCCCCCOC(C)c1nc2ccccc2s1 4ad2c293e44e29d07bffacf38f5c5ce6 [0,1,1,0,0,0|2,0,0]=4 2378 B19R2.52042 CCCCOCNC(C)c1nc2ccccc2s1 a638a32347c90a8c5dda814ef1e811ea [0,1,1,0,0,0|2,0,0]=4 2379 B19R2.52042 CCCCOCN[C@@H](C)c1nc2ccccc2s1 c50b4a27eebff76e23e0e57c0d4ccc56 [0,1,1,0,0,0|2,0,0]=4 2380 B19R2.52042 CCCOCCNC(=O)c1nc2ccccc2s1 43395f0f50e817d6925034c34e3778a1 [0,1,1,0,0,0|2,0,0]=4 2381 B19R2.52042 CCCOCCNC(C)c1nc2ccccc2s1 172fcf4f94886fee0e35684ba775c7ed [0,1,1,0,0,0|2,0,0]=4 2382 B19R2.52042 CCCOCCN[C@@H](C)c1nc2ccccc2s1 529fb78d41fb29b9bf91f09044eed277 [0,1,1,0,0,0|2,0,0]=4 2383 B19R2.52042 CCOCCCNC(=O)c1nc2ccccc2s1 351c33ec0c09cf3c6ac7c5569c7e70eb [0,1,1,0,0,0|2,0,0]=4 2384 B19R2.52042 CCOCCCNC(C)c1nc2ccccc2s1 64be0e2ab36c577f9deb442cc49703d4 [0,1,1,0,0,0|2,0,0]=4 2385 B19R2.52042 CCOCCCN[C@@H](C)c1nc2ccccc2s1 f386115e4c2dd7ca2be391817c7b37f2 [0,1,1,0,0,0|2,0,0]=4 2386 B19R2.52042 CCSCCCNC(C)c1nc2ccccc2s1 da281749152849c030b6ba3a1b2ff1cb [0,1,1,0,0,0|2,0,0]=4 2387 B19R2.52042 CCSCCCN[C@@H](C)c1nc2ccccc2s1 122fb3914779da2f436e7b087f3964df [0,1,1,0,0,0|2,0,0]=4 2388 B19R2.52042 COCCCCNC(=O)c1nc2ccccc2s1 1f0ad654744b2efa05ecd735d7f414a5 [0,1,1,0,0,0|2,0,0]=4 2389 B19R2.52042 COCCCCNC(C)c1nc2ccccc2s1 042a666b1389f6ab7732e77025422e9d [0,1,1,0,0,0|2,0,0]=4 2390 B19R2.52042 COCCCCN[C@@H](C)c1nc2ccccc2s1 e1a19f0803c86ae12c40bc217d04ee17 [0,1,1,0,0,0|2,0,0]=4 2391 B19R2.52042 CSCCCCNC(=O)c1nc2ccccc2s1 3ee34042c0018ffec83492b6c364f081 [0,1,1,0,0,0|2,0,0]=4 2392 B19R2.52042 C[C@H](NCCCCCF)c1nc2ccccc2s1 9ecfeba3bee2da0540c089203342eb31 [0,1,1,0,0,0|2,0,0]=4 2393 B19R2.52042 C[C@H](NCCCCCO)c1nc2ccccc2s1 afa6384b93b1958c554149713a9f1fdc [0,1,1,0,0,0|2,0,0]=4 2394 B19R2.52042 O=C(NCCCCCCl)c1nc2ccccc2s1 5cfeec7565b81c74118d87acd690499c [0,1,1,0,0,0|2,0,0]=4 2395 B19R2.52042 O=C(NCCCCCO)c1nc2ccccc2s1 62d919ed64442c5187fb7e74d70e51dc [0,1,1,0,0,0|2,0,0]=4 2396 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 0eeddd72d95f25061edf05418c31928d [0,1,0,0,1,0|2,0,0]=4 2397 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 30751486457d735d390d20db6a38ad28 [0,1,0,0,1,0|2,0,0]=4 2398 B19R3.10823 CN(Cc1cc2ccccc2s1)C3CCCC3 22aaa4ac875dd58775f1a10f4cc29b9f [0,1,0,0,1,0|2,0,0]=4 2399 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 64265af1df7bbec6581926e576101b8f [0,1,0,0,1,0|2,0,0]=4 2400 B19R3.10823 CN(Cc1nc2ccccc2o1)C3CCCC3 57462c1752824ea6033477b1688ed400 [0,1,0,0,1,0|1,1,0]=4 2401 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 c5cd32a82ecff9302e20bf4c1e697d06 [0,1,0,0,1,0|1,0,0]=3 2402 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 a961fd4ff3684b6e92a3c30738c92800 [0,1,0,0,1,0|2,0,0]=4 2403 B19R3.10823 CN(Cc1nc2ccccc2s1)[C@@H]3CCOC3 ede11d0097192849a8217269519e90d8 [0,1,0,0,1,0|2,0,0]=4 2404 B19R3.10823 CN(Cc1nc2ccccc2s1)[C@H]3CCOC3 059fe5905759eb887fdbbe38664e4c2d [0,1,0,0,1,0|2,0,0]=4 2405 B19R3.51205 CC1CC(CO1)NCc2nc3ccccc3s2 c90144934dc01e12b39d328f4217994d [0,1,0,0,1,0|2,0,0]=4 2406 B19R3.51205 CC1CCC(C1)NCc2cc3ccccc3s2 d308eaea00fc21ebdc854f6a3d2e7167 [0,1,0,0,1,0|2,0,0]=4 2407 B19R3.51205 CC1CCC(C1)NCc2nc3ccccc3[nH]2 ad29f648357f640a184c7ce0b18c1b42 [0,1,0,0,1,0|2,0,0]=4 2408 B19R3.51205 CC1CCC(C1)NCc2nc3ccccc3o2 6b1b84797b1ad22e35ea5f302ec1c0da [0,1,0,0,1,0|1,1,0]=4 2409 B19R3.51205 CC1CCC(C1)NCc2nc3ccccc3s2 354e498b1328953358e0b10032dbfb1f [0,1,0,0,1,0|1,0,0]=3 2410 B19R3.51205 CC1CCC(C1)OCc2nc3ccccc3s2 b29718910fa6c6bb9565c8002e98b740 [0,1,0,0,1,0|2,0,0]=4 2411 B19R3.51205 CC1CCN(C1)CSc2nc3ccccc3s2 cf41cfaab0d300a304882bf013945eaf [0,1,0,0,1,0|2,0,0]=4 2412 B19R3.51205 CN1CCC(C1)NCc2nc3ccccc3s2 f016c87cadde9ccda47a5d29facb46ba [0,1,0,0,1,0|2,0,0]=4 2413 B19R3.51205 CN1CC[C@@H](C1)NCc2nc3ccccc3s2 f9ab381749286e93630b3caf70e2b8a1 [0,1,0,0,1,0|2,0,0]=4 2414 B19R3.51205 CN1CC[C@H](C1)NCc2nc3ccccc3s2 33d3abba4ea9f945a7b8e5c1772b3786 [0,1,0,0,1,0|2,0,0]=4 2415 B19R3.51205 FC1CCC(C1)OCc2nc3ccccc3s2 f74f47c6fa2a088f7ae16857950e444c [0,1,0,0,1,0|2,0,0]=4 2416 B19R3.51205 FC1CCN(C1)CSc2nc3ccccc3s2 29dc2bbb0e4b56f1566040d708f5cb42 [0,1,0,0,1,0|2,0,0]=4 2417 B19R3.51205 F[C@@H]1CCN(C1)CSc2nc3ccccc3s2 6f296fd1be157d9f7839b2dcf97dc016 [0,1,0,0,1,0|2,0,0]=4 2418 B19R3.51205 F[C@H]1CCN(C1)CSc2nc3ccccc3s2 d95676ca9fbc279476836271d624a8e1 [0,1,0,0,1,0|2,0,0]=4 2419 B19R3.51205 OC1CCC(C1)NCc2cc3ccccc3s2 f869def2e8d2618bcca7e13c8a1e4bf2 [0,1,0,0,1,0|2,0,0]=4 2420 B19R3.51205 OC1CCC(C1)NCc2nc3ccccc3[nH]2 affbebc0f577bba1b9928473ee86e80e [0,1,0,0,1,0|2,0,0]=4 2421 B19R3.51205 OC1CCC(C1)NCc2nc3ccccc3o2 725da3dd5abf2752635007ae827823fc [0,1,0,0,1,0|1,1,0]=4 2422 B19R3.51205 OC1CCC(C1)NCc2nc3ccccc3s2 109e863a3e67a2e843cf14c5b8e5ccf0 [0,1,0,0,1,0|1,0,0]=3 2423 B19R3.51205 OC1CCN(C1)CSc2nc3ccccc3s2 ce8c0061029ef9d1da7091649f978e5e [0,1,0,0,1,0|2,0,0]=4 2424 B19R3.51205 O[C@@H]1CCN(C1)CSc2nc3ccccc3s2 049cf8653a2f162b1dc5d5cfc36a84fb [0,1,0,0,1,0|2,0,0]=4 2425 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2cc3ccccc3s2 445db50f7ededb60852fbaffa7844757 [0,1,0,0,1,0|2,0,0]=4 2426 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3[nH]2 e7be81cc9a8f615bd9376a080ad2b393 [0,1,0,0,1,0|2,0,0]=4 2427 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3o2 451a74d3b1b6bf6c62e75acd25c9d14f [0,1,0,0,1,0|1,1,0]=4 2428 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3s2 265a0c8304b0067d0f3568ec598450e2 [0,1,0,0,1,0|1,0,0]=3 2429 B19R3.51205 O[C@@H]1CC[C@H](C1)NCc2cc3ccccc3s2 a2f935ccb306e9efe709373ebc99ad16 [0,1,0,0,1,0|2,0,0]=4 2430 B19R3.51205 O[C@@H]1CC[C@H](C1)NCc2nc3ccccc3[nH]2 fbac1bc70eb2c4c33fae1b55ce24bb8e [0,1,0,0,1,0|2,0,0]=4 2431 B19R3.51205 O[C@@H]1CC[C@H](C1)NCc2nc3ccccc3o2 d1fdee921a400cf1946581ada0d44939 [0,1,0,0,1,0|1,1,0]=4 2432 B19R3.51205 O[C@@H]1CC[C@H](C1)NCc2nc3ccccc3s2 626ae43242e57c28be9c4980d4c29f15 [0,1,0,0,1,0|1,0,0]=3 2433 B19R3.51205 O[C@H]1CCN(C1)CSc2nc3ccccc3s2 0df81fed929af4d35baa69b68c8ccfdf [0,1,0,0,1,0|2,0,0]=4 2434 B19R3.51205 O[C@H]1CC[C@@H](C1)NCc2cc3ccccc3s2 ae75657adc19802e18fe52266b768583 [0,1,0,0,1,0|2,0,0]=4 2435 B19R3.51205 O[C@H]1CC[C@@H](C1)NCc2nc3ccccc3[nH]2 00caae9f8ca7f113e69b660dacb818f3 [0,1,0,0,1,0|2,0,0]=4 2436 B19R3.51205 O[C@H]1CC[C@@H](C1)NCc2nc3ccccc3o2 ed7d81492777adec1dec740cd93e09b4 [0,1,0,0,1,0|1,1,0]=4 2437 B19R3.51205 O[C@H]1CC[C@@H](C1)NCc2nc3ccccc3s2 9744bd1870bd6eb2e73ae3a056ba747d [0,1,0,0,1,0|1,0,0]=3 2438 B19R3.51205 O[C@H]1CC[C@H](C1)NCc2cc3ccccc3s2 77381914fd565c974d7b5575ff91d906 [0,1,0,0,1,0|2,0,0]=4 2439 B19R3.51205 O[C@H]1CC[C@H](C1)NCc2nc3ccccc3[nH]2 69910f161a954b98d6aad025860cd231 [0,1,0,0,1,0|2,0,0]=4 2440 B19R3.51205 O[C@H]1CC[C@H](C1)NCc2nc3ccccc3o2 46e1f89112bf560fcb3bcc43b004e2e8 [0,1,0,0,1,0|1,1,0]=4 2441 B19R3.51205 O[C@H]1CC[C@H](C1)NCc2nc3ccccc3s2 8f2e79b3817cd78608978504eefb5bc9 [0,1,0,0,1,0|1,0,0]=3 2442 B19R3.55731 Brc1ccc2nc(sc2c1)CNC3CCCC3 908f75996a0e815d7498ae7bb9f98a8e [0,1,0,0,1,0|1,0,0]=3 2443 B19R3.55731 Brc1ccc2nc(sc2c1)CNC3CCOC3 11845e3c4c20e4593e56aad1dbd0306a [0,1,0,0,1,0|2,0,0]=4 2444 B19R3.55731 Brc1ccc2nc(sc2c1)CN[C@@H]3CCOC3 200aa56d1ee270333703a3b6038dda49 [0,1,0,0,1,0|2,0,0]=4 2445 B19R3.55731 Brc1ccc2nc(sc2c1)CN[C@H]3CCOC3 c9196148a68902c952d66fbf891d90d2 [0,1,0,0,1,0|2,0,0]=4 2446 B19R3.55731 Brc1ccc2nc(sc2c1)NCC3CCCC3 d6d95a86755d34c96adc2d5d8ced3cb4 [0,1,0,0,1,0|2,0,0]=4 2447 B19R3.55731 Brc1ccc2sc(nc2c1)NCC3CCCC3 19f1a0771c9cbf70c1299b2401e1fe5e [0,1,0,0,1,0|2,0,0]=4 2448 B19R3.55731 Cc1ccc2[nH]c(nc2c1)CNC3CCCC3 217143c3a64128b66fcabe756836a50e [0,1,0,0,1,0|2,0,0]=4 2449 B19R3.55731 Cc1ccc2nc(oc2c1)CNC3CCCC3 af0881c9d49a4e3a68d4840b4841a713 [0,1,0,0,1,0|1,1,0]=4 2450 B19R3.55731 Cc1ccc2nc(sc2c1)NCC3CCCC3 aab58afbf03785ca8f551ea4df1905b5 [0,1,0,0,1,0|2,0,0]=4 2451 B19R3.55731 Cc1ccc2nc(sc2c1)OCC3CCCC3 7f7939adae02c2f408dac8726a820180 [0,1,0,0,1,0|1,1,0]=4 2452 B19R3.55731 Cc1ccc2oc(nc2c1)CNC3CCCC3 c70902f503704f59e961ebf5afd37312 [0,1,0,0,1,0|1,1,0]=4 2453 B19R3.55731 Cc1ccc2sc(nc2c1)NCC3CCCC3 4bbcc46ccee3416c81ff3792c9d5ffdb [0,1,0,0,1,0|2,0,0]=4 2454 B19R3.55731 Clc1ccc2nc([nH]c2c1)CNC3CCCC3 fc3ab0af586e5cc83e86f04d6d2d5c43 [0,1,0,0,1,0|2,0,0]=4 2455 B19R3.55731 Clc1ccc2nc(oc2c1)CNC3CCCC3 de15926db905eabb97f7a95594f0f53b [0,1,0,0,1,0|1,1,0]=4 2456 B19R3.55731 Clc1ccc2nc(sc2c1)CNC3CCCC3 e66b229ce23893d5b523d434a3ce7948 [0,1,0,0,1,0|1,0,0]=3 2457 B19R3.55731 Clc1ccc2nc(sc2c1)CNC3CCOC3 f5ffa63da641da8ee47704253dc56057 [0,1,0,0,1,0|2,0,0]=4 2458 B19R3.55731 Clc1ccc2nc(sc2c1)CN[C@@H]3CCOC3 6f4ccba1d7b978f1d1ea533e7e927f69 [0,1,0,0,1,0|2,0,0]=4 2459 B19R3.55731 Clc1ccc2nc(sc2c1)CN[C@H]3CCOC3 191441d7a72a265ecb860cc006da5dc9 [0,1,0,0,1,0|2,0,0]=4 2460 B19R3.55731 Clc1ccc2nc(sc2c1)NCC3CCCC3 79c39c49462400546215eec3362857b5 [0,1,0,0,1,0|2,0,0]=4 2461 B19R3.55731 Clc1ccc2nc(sc2c1)OCC3CCCC3 6ca2dd03be80f494b7148c23505ccbdb [0,1,0,0,1,0|1,1,0]=4 2462 B19R3.55731 Clc1ccc2oc(nc2c1)CNC3CCCC3 ff366beb228b695f8ac6916a7e336d3b [0,1,0,0,1,0|1,1,0]=4 2463 B19R3.55731 Clc1ccc2sc(cc2c1)CNC3CCCC3 a5a824e8b2cf6260fa8ee4f94b9a7a60 [0,1,0,0,1,0|2,0,0]=4 2464 B19R3.55731 Clc1ccc2sc(nc2c1)NCC3CCCC3 b10d0ef54e7ae93731b1bb3ea773fba0 [0,1,0,0,1,0|2,0,0]=4 2465 B19R3.55731 Clc1cnc2sc(nc2c1)CNC3CCCC3 598829cfa319ec8c59b3b78f895b6c5a [0,1,0,0,1,0|2,0,0]=4 2466 B19R3.55731 Fc1ccc2nc([nH]c2c1)CNC3CCCC3 6efa77797c6b5ed27c081fba1c5c1c93 [0,1,0,0,1,0|2,0,0]=4 2467 B19R3.55731 Fc1ccc2nc(oc2c1)CNC3CCCC3 1bc7edcec66d5edcf03dc3f9e8b6c71e [0,1,0,0,1,0|1,1,0]=4 2468 B19R3.55731 Fc1ccc2nc(sc2c1)COC3CCCC3 3e2585e448f4f91732cababc7ed3dcdf [0,1,0,0,1,0|2,0,0]=4 2469 B19R3.55731 Fc1ccc2nc(sc2c1)NCC3CCCC3 54de420f16f54886d7dd4bae99083e2f [0,1,0,0,1,0|2,0,0]=4 2470 B19R3.55731 Fc1ccc2nc(sc2c1)OCC3CCCC3 3fd7edaae6e60fe98d7e63067257e48a [0,1,0,0,1,0|1,1,0]=4 2471 B19R3.55731 Fc1ccc2sc(nc2c1)CNC3CCCC3 787855d52db070296dc6e9d0cd14cece [0,1,0,0,1,0|1,0,0]=3 2472 B19R3.55731 Fc1ccc2sc(nc2c1)CNC3CCOC3 8d3f169446eaf5f5ff4371fc7050eb47 [0,1,0,0,1,0|2,0,0]=4 2473 B19R3.55731 Fc1ccc2sc(nc2c1)CNC3CCSC3 44c542038485a5e0450a3f3dce3d5a8a [0,1,0,0,1,0|2,0,0]=4 2474 B19R3.55731 Fc1ccc2sc(nc2c1)CN[C@@H]3CCOC3 d6a84c2bef13e921d15b456b5e5abab4 [0,1,0,0,1,0|2,0,0]=4 2475 B19R3.55731 Fc1ccc2sc(nc2c1)CN[C@H]3CCOC3 a64f2328010e122c800cfd6b56c21ea5 [0,1,0,0,1,0|2,0,0]=4 2476 B19R3.55731 Fc1ccc2sc(nc2c1)COC3CCCC3 703f0abc676647fedf0b1036228b6984 [0,1,0,0,1,0|2,0,0]=4 2477 B19R3.55731 Fc1ccc2sc(nc2c1)NCC3CCCC3 f357a79fb25b56dea48f214837b643de [0,1,0,0,1,0|2,0,0]=4 2478 B19R3.55731 Ic1ccc2nc(sc2c1)NCC3CCCC3 d5ab26e92931fd05c4590f1687775832 [0,1,0,0,1,0|2,0,0]=4 2479 B19R3.61636 CC1CCCC1OCc2nc3ccccc3s2 ef85242ec5fd8fb56f361abf615417f3 [0,1,0,0,1,0|2,0,0]=4 2480 B19R3.61636 C[C@@H]1CCC[C@@H]1OCc2nc3ccccc3s2 67adb19205e69652cc3ff357a4a6adde [0,1,0,0,1,0|2,0,0]=4 2481 B19R3.61636 C[C@@H]1CCC[C@H]1OCc2nc3ccccc3s2 7ad21b18d3478a3d07b0ed47d22b0188 [0,1,0,0,1,0|2,0,0]=4 2482 B19R3.61636 C[C@H]1CCC[C@@H]1OCc2nc3ccccc3s2 505270eb1078399535a9b97bc4ed308f [0,1,0,0,1,0|2,0,0]=4 2483 B19R3.61636 C[C@H]1CCC[C@H]1OCc2nc3ccccc3s2 94200be32fc6b4997a220d61e0666488 [0,1,0,0,1,0|2,0,0]=4 2484 B19R3.61636 F[C@@H]1CCC[C@H]1OCc2nc3ccccc3s2 d212ce7e95ad6c015f61a98d8d0d604c [0,1,0,0,1,0|2,0,0]=4 2485 B19R3.61636 F[C@@H]1COC[C@@H]1NCc2nc3ccccc3s2 40468bccf3baf579b124aee698f067b2 [0,1,0,0,1,0|2,0,0]=4 2486 B19R3.61636 O=C1CCCC1NCc2nc3ccccc3s2 4bfe0aea77c4c9f8e6187d0e59dccae4 [0,1,0,0,1,0|1,0,1]=4 2487 B19R3.61636 OC1CCCC1CNc2nc3ccccc3s2 dda844cd1783291f4805da74b16d36f7 [0,1,0,0,1,0|2,0,0]=4 2488 B19R3.61636 OC1CCCC1NCc2cc3ccccc3s2 9748f0f4277ef16c555574b0d47ce4be [0,1,0,0,1,0|2,0,0]=4 2489 B19R3.61636 OC1CCCC1NCc2nc3ccccc3[nH]2 1fa96bb2327222dfccbcdc6c83e0f072 [0,1,0,0,1,0|2,0,0]=4 2490 B19R3.61636 OC1CCCC1NCc2nc3ccccc3o2 96260e3fb3e94774e0050d83b41167c1 [0,1,0,0,1,0|1,1,0]=4 2491 B19R3.61636 OC1CCCC1NCc2nc3ccccc3s2 73f9eba82ad3b977d453e027eb9f4908 [0,1,0,0,1,0|1,0,0]=3 2492 B19R3.61636 OC1CCCN1CSc2nc3ccccc3s2 28be8639e6f0b3abb3cc69aa6fe76444 [0,1,0,0,1,0|2,0,0]=4 2493 B19R3.61636 OC1COCC1NCc2nc3ccccc3s2 321771512fe86d037ca5a104dbc418c5 [0,1,0,0,1,0|2,0,0]=4 2494 B19R3.61636 O[C@@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 3dbb6bfcc9fe6f298c68ddaf77d9b139 [0,1,0,0,1,0|2,0,0]=4 2495 B19R3.61636 O[C@@H]1CCC[C@@H]1NCc2nc3ccccc3o2 267778a7884091730fcf4a05cd67009d [0,1,0,0,1,0|1,1,0]=4 2496 B19R3.61636 O[C@@H]1CCC[C@@H]1NCc2nc3ccccc3s2 fa92052d5597b3a24211fadaa937d468 [0,1,0,0,1,0|1,0,0]=3 2497 B19R3.61636 O[C@@H]1CCC[C@H]1NCc2cc3ccccc3s2 d1351f725bbd25df6a8d8903acba989e [0,1,0,0,1,0|2,0,0]=4 2498 B19R3.61636 O[C@@H]1CCC[C@H]1NCc2nc3ccccc3[nH]2 2c3a8de9618e7cf69eab256bfb4564b2 [0,1,0,0,1,0|2,0,0]=4 2499 B19R3.61636 O[C@@H]1CCC[C@H]1NCc2nc3ccccc3o2 759bd7576a2fd9da67a831f43e67ed21 [0,1,0,0,1,0|1,1,0]=4 2500 B19R3.61636 O[C@@H]1CCC[C@H]1NCc2nc3ccccc3s2 4f5ae0486d42ded03ee55a94989e52a2 [0,1,0,0,1,0|1,0,0]=3 2501 B19R3.61636 O[C@@H]1COC[C@@H]1NCc2nc3ccccc3s2 8dadc689982dbaca4c71f34135299596 [0,1,0,0,1,0|2,0,0]=4 2502 B19R3.61636 O[C@@H]1COC[C@H]1NCc2nc3ccccc3s2 078b7d4f4cd610c7b59703bf4b2fe4f4 [0,1,0,0,1,0|2,0,0]=4 2503 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2cc3ccccc3s2 6df5a640c4d622bec69b3eb1011681c1 [0,1,0,0,1,0|2,0,0]=4 2504 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 4272b03d2205f99191441265ae6bdfac [0,1,0,0,1,0|2,0,0]=4 2505 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3o2 75305534f09caae8a0899ec228156e50 [0,1,0,0,1,0|1,1,0]=4 2506 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3s2 7a21e97ee220f286bf4fdc2ff6981f47 [0,1,0,0,1,0|1,0,0]=3 2507 B19R3.61636 O[C@H]1CCC[C@H]1NCc2nc3ccccc3[nH]2 a554fdb27f413813f297f65dcdef8af3 [0,1,0,0,1,0|2,0,0]=4 2508 B19R3.61636 O[C@H]1CCC[C@H]1NCc2nc3ccccc3o2 01e7f425cf41f66c70e48e115b8d290e [0,1,0,0,1,0|1,1,0]=4 2509 B19R3.61636 O[C@H]1CCC[C@H]1NCc2nc3ccccc3s2 268b917e9a22bcd9409cbe71c9a159e9 [0,1,0,0,1,0|1,0,0]=3 2510 B19R3.61636 O[C@H]1COC[C@@H]1NCc2nc3ccccc3s2 57958bd2b3cadb001bdbda58e4f37105 [0,1,0,0,1,0|2,0,0]=4 2511 B19R3.61636 O[C@H]1COC[C@H]1NCc2nc3ccccc3s2 19d1a0ed8e802906490440dcc074001f [0,1,0,0,1,0|2,0,0]=4 2512 B19R3.150531 Brc1cccc2c1nc(s2)COC3CCCC3 4a0fe41afcc43e4e4060bb98d4b4509c [0,1,0,0,1,0|2,0,0]=4 2513 B19R3.150531 Brc1cccc2c1nc(s2)NCC3CCCC3 dd99e71b88f03cbf7a70179711fd4920 [0,1,0,0,1,0|2,0,0]=4 2514 B19R3.150531 Brc1cccc2c1sc(n2)NCC3CCCC3 9e829c10a449f0a93e9f47211b409957 [0,1,0,0,1,0|2,0,0]=4 2515 B19R3.150531 Cc1cccc2c1nc([nH]2)CNC3CCCC3 63e3c443946f9ed0e395a48790fe9475 [0,1,0,0,1,0|2,0,0]=4 2516 B19R3.150531 Cc1cccc2c1nc(s2)NCC3CCCC3 da7a5dd4e753147ed66cd4726d3aa972 [0,1,0,0,1,0|2,0,0]=4 2517 B19R3.150531 Cc1cccc2c1nc(s2)OCC3CCCC3 6ba289ab62e6ade1aa0facf8daa3fa9c [0,1,0,0,1,0|1,1,0]=4 2518 B19R3.150531 Cc1cccc2c1sc(n2)NCC3CCCC3 47ce429c3a38c57fdcf91f2e1d3b1bac [0,1,0,0,1,0|2,0,0]=4 2519 B19R3.150531 Clc1cccc2c1cc(s2)CNC3CCCC3 db1d0871c989a3607af27f02ec0613bf [0,1,0,0,1,0|2,0,0]=4 2520 B19R3.150531 Clc1cccc2c1nc(s2)NCC3CCCC3 c90f21a0894bbb169c2ecbded30042cc [0,1,0,0,1,0|2,0,0]=4 2521 B19R3.150531 Clc1cccc2c1sc(n2)NCC3CCCC3 a0a32e1797edf2488e4807cf6eba2a68 [0,1,0,0,1,0|2,0,0]=4 2522 B19R3.150531 Fc1cccc2c1nc(s2)COC3CCCC3 273a5a051e9e5a5a5012c982dc6d13e3 [0,1,0,0,1,0|2,0,0]=4 2523 B19R3.150531 Fc1cccc2c1nc(s2)NCC3CCCC3 a083d2149ee8f326df27e7e69993302b [0,1,0,0,1,0|2,0,0]=4 2524 B19R3.150531 Fc1cccc2c1sc(n2)NCC3CCCC3 5953785653043be78d9e080bd106477e [0,1,0,0,1,0|2,0,0]=4 2525 B19R3.150531 Ic1cccc2c1nc(s2)NCC3CCCC3 c10d47bdb0d3bdbdaed6a0c222594441 [0,1,0,0,1,0|2,0,0]=4 2526 B19R3.679979 CC(NC1CCCC1)c2nc3ccccc3s2 f84d519be842efae3c6a53293b5b0d15 [0,1,0,0,1,0|1,0,0]=3 2527 B19R3.679979 CC(NC1CCOC1)c2nc3ccccc3s2 b3f855ac91ef21a482d0008836b19715 [0,1,0,0,1,0|2,0,0]=4 2528 B19R3.679979 CC(N[C@@H]1CCOC1)c2nc3ccccc3s2 1b540a1ae5e5e5eea08746722ffb6d89 [0,1,0,0,1,0|2,0,0]=4 2529 B19R3.679979 CC(N[C@H]1CCOC1)c2nc3ccccc3s2 1acb8424b66a9fe499e829b5456df823 [0,1,0,0,1,0|2,0,0]=4 2530 B19R3.679979 CN(CC1CCCC1)c2nc3ccccc3s2 ba6ab3a8a57b661a98745117b0970aeb [0,1,0,0,1,0|2,0,0]=4 2531 B19R3.679979 C[C@@H](NC1CCCC1)c2nc3ccccc3[nH]2 d2c8832dad7f79a8e48b6beeeba6f42a [0,1,0,0,1,0|2,0,0]=4 2532 B19R3.679979 C[C@H](NC1CCCC1)c2nc3ccccc3s2 860c1f00c6f0a34ab349db05a88e4b9a [0,1,0,0,1,0|1,0,0]=3 2533 B19R3.679979 C[C@H](NC1CCOC1)c2nc3ccccc3s2 2126519a9503d0483276e1ab15d2ed6d [0,1,0,0,1,0|2,0,0]=4 2534 B19R3.679979 C[C@H](N[C@@H]1CCOC1)c2nc3ccccc3s2 7563cb09cf4140662a5b46fee1db1cb3 [0,1,0,0,1,0|2,0,0]=4 2535 B19R3.679979 C[C@H](N[C@H]1CCOC1)c2nc3ccccc3s2 551485272dbc4fba416ce0310bb82212 [0,1,0,0,1,0|2,0,0]=4 2536 B19R3.679979 O=C(NC1CCCC1)c2cc3ccccc3s2 587d4e87ffd989fa4e4b488ace65c9d7 [0,1,0,0,1,0|2,0,0]=4 2537 B19R3.679979 O=C(NC1CCCC1)c2nc3ccccc3o2 c5b58eb1bd96df606cca0234d9c5c385 [0,1,0,0,1,0|1,1,0]=4 2538 B19R3.679979 O=C(NC1CCCC1)c2nc3ccccc3s2 cfaa5833de5e4739060ae5b91513b7a3 [0,1,0,0,1,0|1,0,0]=3 2539 B19R3.679979 O=C(NC1CCCC1)c2nc3cccnc3s2 946eb1868ffcac38be3d885cac667e5a [0,1,0,0,1,0|2,0,0]=4 2540 B19R3.679979 O=C(NC1CCCC1)c2nc3ccncc3s2 559797ebafaf9b3f676efbacec1ce507 [0,1,0,0,1,0|2,0,0]=4 2541 B19R3.679979 O=C(NC1CCCC1)c2nc3cnccc3s2 afa200fa0cd1d9a3201c652dbfacc796 [0,1,0,0,1,0|2,0,0]=4 2542 B19R3.679979 O=C(NC1CCOC1)c2nc3ccccc3s2 d2d70b5124fd1905cc47f15b8b4893fc [0,1,0,0,1,0|2,0,0]=4 2543 B19R3.679979 O=C(NC1CCSC1)c2nc3ccccc3s2 a62eef88557de4eb87bc921295f1de7a [0,1,0,0,1,0|2,0,0]=4 2544 B19R3.679979 O=C(N[C@@H]1CCOC1)c2nc3ccccc3s2 068aa16ca4da742dcd16f7cf30373fc3 [0,1,0,0,1,0|2,0,0]=4 2545 B19R3.679979 O=C(N[C@H]1CCOC1)c2nc3ccccc3s2 789ec40bd34df5cacf13c85760318c00 [0,1,0,0,1,0|2,0,0]=4 2546 B19R3.2395099 CC1(CCCC1)CNc2nc3ccccc3s2 37bdc06ee19440157f1a64c9e570f869 [0,1,0,0,1,0|2,0,0]=4 2547 B19R3.2395099 CC1(CCCC1)COc2nc3ccccc3s2 81dd7467ada67947d750338160e2b8db [0,1,0,0,1,0|1,1,0]=4 2548 B19R3.2395099 CC1(CCCC1)NCc2cc3ccccc3s2 5e4eae353dcd9197939db6e0974e1f2a [0,1,0,0,1,0|2,0,0]=4 2549 B19R3.2395099 CC1(CCCC1)NCc2nc3ccccc3[nH]2 8e72b37ee6af4b003cf5fa35c6dac508 [0,1,0,0,1,0|2,0,0]=4 2550 B19R3.2395099 CC1(CCCC1)NCc2nc3ccccc3o2 f5eb4ba0d283af2016e9218e332c748d [0,1,0,0,1,0|1,1,0]=4 2551 B19R3.2395099 CC1(CCCC1)NCc2nc3ccccc3s2 5afaabb09d6053fdd4d1e4cb91caa6b4 [0,1,0,0,1,0|1,0,0]=3 2552 B19R3.2395099 CC1(CCOC1)NCc2nc3ccccc3s2 cced0b14b3ca5833030409bb08eaf22a [0,1,0,0,1,0|2,0,0]=4 2553 B19R3.2395099 FC1(CCCC1)CNc2nc3ccccc3s2 5840a5c2b338ce1bedea168d16b9473b [0,1,0,0,1,0|2,0,0]=4 2554 B19R3.2395099 FC1(CCCC1)COc2nc3ccccc3s2 78db5603a4ae7ecdfefd97fa5f1807d8 [0,1,0,0,1,0|1,1,0]=4 2555 B19R3.182 Cc1c(sc2c1cccc2)NC3CCOCC3 6cd8e77cf5ee8f4f2abf69ec0aacb021 [0,1,0,0,1,0|2,0,0]=4 2556 B19R3.182 Cn1c(cc2c1cccc2)NC3CCCCC3 906062332c345d582792d388a436942c [0,1,0,0,1,0|1,0,1]=4 2557 B19R3.182 Cn1c(nc2c1cccc2)NC3CCCCC3 93394eeaaee336e98a174b5e3d041fbe [0,1,0,0,1,0|1,0,0]=3 2558 B19R3.182 Cn1c(nc2c1cccc2)NC3CCOCC3 424f5c0247a207ccb28f35937e633f46 [0,1,0,0,1,0|2,0,0]=4 2559 B19R3.182 Cn1c(nc2c1nccc2)NC3CCCCC3 f853374db290c7dea2dc60a80ec602e8 [0,1,0,0,1,0|2,0,0]=4 2560 B19R3.8304 Brc1cccc2n1cc(n2)NC3CCCCC3 cb3623e76e7c288d3f5418dead4d64e9 [0,1,0,0,1,0|2,0,0]=4 2561 B19R3.8304 Brc1cccc2n1nc(c2)NC3CCCCC3 e34724782770c86e395bc78ed7d88fe0 [0,1,0,0,1,0|2,0,0]=4 2562 B19R3.8304 Brc1cccc2n1nc(n2)NC3CCCCC3 379a76cf27f75911e893c9ff0dda73cc [0,1,0,0,1,0|2,0,0]=4 2563 B19R3.8304 Brc1cccn2c1cc(n2)NC3CCCCC3 8c492ddde70da02be92b2df210153455 [0,1,0,0,1,0|2,0,0]=4 2564 B19R3.8304 Brc1cccn2c1nc(c2)NC3CCCCC3 b6e949e8ba9d4ba63edd3ea2ffcdb73b [0,1,0,0,1,0|2,0,0]=4 2565 B19R3.8304 Brc1cccn2c1nc(n2)NC3CCCCC3 535a910b3636b8686f89812d0461c752 [0,1,0,0,1,0|2,0,0]=4 2566 B19R3.8304 Cc1cccc2c1nc([nH]2)NC3CCCCC3 b0fa0bbf5701566282d18db412b63a9c [0,1,0,0,1,0|1,0,0]=3 2567 B19R3.8304 Cc1cccc2c1nc([nH]2)NC3CCOCC3 8b4770730b608015eac7f3a4ad63d4d1 [0,1,0,0,1,0|2,0,0]=4 2568 B19R3.8304 Cc1cccc2c1nc(o2)NC3CCCCC3 73f6f24e29aba7009e8142a2f6ff957e [0,1,0,0,1,0|0,1,0]=3 2569 B19R3.8304 Cc1cccc2c1nc(o2)NC3CCOCC3 eaf1423a4eb8097e62e8a2e5c9f17bb7 [0,1,0,0,1,0|1,1,0]=4 2570 B19R3.8304 Cc1cccc2c1nc(o2)NC3CCSCC3 95291f78cac813419586fad46f1722f8 [0,1,0,0,1,0|1,1,0]=4 2571 B19R3.8304 Cc1cccc2c1nc(s2)NC3C=CCCC3 b0cbcf7f6e7f8bb3acb41ecd5fd943e2 [0,1,0,0,1,0|0,0,2]=4 2572 B19R3.8304 Cc1cccc2c1oc(n2)NC3CCSCC3 49859e0f9a28549e1088bc23784670ff [0,1,0,0,1,0|1,1,0]=4 2573 B19R3.8304 Cc1cccc2c1sc(n2)NC3C=CCCC3 687a25867d02868f3b990af79f9f4424 [0,1,0,0,1,0|0,0,2]=4 2574 B19R3.8304 Cc1cccc2n1nc(n2)NC3CCCCC3 699ba51e17d558bf93889955244fa293 [0,1,0,0,1,0|2,0,0]=4 2575 B19R3.8304 Cc1cccn2c1nc(n2)NC3CCCCC3 3fab09c5aaa2f0ba182a642c5d74b742 [0,1,0,0,1,0|2,0,0]=4 2576 B19R3.8304 Clc1cccc2c1nc([nH]2)NC3CCCCC3 02c124786371b1cbdeaf0600e840bf24 [0,1,0,0,1,0|1,0,0]=3 2577 B19R3.8304 Clc1cccc2c1nc(o2)NC3CCCCC3 f1e6b0d1b4b0721be6f7718c2f1e98b0 [0,1,0,0,1,0|0,1,0]=3 2578 B19R3.8304 Clc1cccc2c1nc(o2)NC3CCOCC3 b0c7583569310a81d8f7d44602594bbb [0,1,0,0,1,0|1,1,0]=4 2579 B19R3.8304 Clc1cccc2c1nc(o2)NC3CCSCC3 d978d90048404acbe7506b105f23bf2c [0,1,0,0,1,0|1,1,0]=4 2580 B19R3.8304 Clc1cccc2c1nc(s2)NC3C=CCCC3 ba29942fd5ad0b4276d1b2d044e645cb [0,1,0,0,1,0|0,0,2]=4 2581 B19R3.8304 Clc1cccc2c1sc(n2)NC3C=CCCC3 6204ec2463557e5f7a360aea359e4a55 [0,1,0,0,1,0|0,0,2]=4 2582 B19R3.8304 Clc1cccc2n1nc(n2)NC3CCCCC3 80709040478e6b332287dcad40bf2de9 [0,1,0,0,1,0|2,0,0]=4 2583 B19R3.8304 Clc1cccn2c1nc(n2)NC3CCCCC3 38d68a38edb88b038cd480a702638bb2 [0,1,0,0,1,0|2,0,0]=4 2584 B19R3.8304 Fc1cccc2c1nc([nH]2)NC3CCCCC3 47fd84205e4ddf991d178c8eda453c2c [0,1,0,0,1,0|1,0,0]=3 2585 B19R3.8304 Fc1cccc2c1nc([nH]2)NC3CCOCC3 7828199d044b9f1035f6c7baa6abfd20 [0,1,0,0,1,0|2,0,0]=4 2586 B19R3.8304 Fc1cccc2c1nc([nH]2)NC3CCSCC3 ae3a2b633bd3489993188068a97d7ca2 [0,1,0,0,1,0|2,0,0]=4 2587 B19R3.8304 Fc1cccc2c1nc(o2)NC3CCCCC3 f41a17c0145e29bc453af2ac4a1100c8 [0,1,0,0,1,0|0,1,0]=3 2588 B19R3.8304 Fc1cccc2c1nc(o2)NC3CCCCO3 e4df12efb6bd95022cfe09fbfb81e5cb [0,1,0,0,1,0|1,1,0]=4 2589 B19R3.8304 Fc1cccc2c1nc(o2)NC3CCOCC3 723d1ab4f53b117e68ce98987e603c49 [0,1,0,0,1,0|1,1,0]=4 2590 B19R3.8304 Fc1cccc2c1nc(o2)NC3CCSCC3 cf4893edc4497c67824289b84e2200bc [0,1,0,0,1,0|1,1,0]=4 2591 B19R3.8304 Fc1cccc2c1nc(o2)OC3CCCCC3 3cb7d4d1769c107ce6cecd874f83349f [0,1,0,0,1,0|0,2,0]=4 2592 B19R3.8304 Fc1cccc2c1nc(s2)NC3C=CCCC3 a3ee56bcc501e209292dba92ad955dfb [0,1,0,0,1,0|0,0,2]=4 2593 B19R3.8304 Fc1cccc2c1oc(n2)NC3CCOCC3 a1baa728c5724380a2e96db60c47ec3e [0,1,0,0,1,0|1,1,0]=4 2594 B19R3.8304 Fc1cccc2c1sc(n2)NC3C=CCCC3 bd64bb6f720268586126869f0533cda0 [0,1,0,0,1,0|0,0,2]=4 2595 B19R3.8304 Fc1cccc2c1sc(n2)NC3CCCCC3 5c3964afb340d5d517c51f6e3d39cbcd [0,1,0,0,1,0|0,0,0]=2 2596 B19R3.8304 Fc1cccc2c1sc(n2)NC3CCCCO3 2a8721ec916760858ec35bb77d67921d [0,1,0,0,1,0|1,0,0]=3 2597 B19R3.8304 Fc1cccc2c1sc(n2)NC3CCOCC3 abd0a3f59927d6a8f5efd003a1fcff79 [0,1,0,0,1,0|1,0,0]=3 2598 B19R3.8304 Fc1cccc2n1nc(n2)NC3CCCCC3 b20cbe1dde9e98993f5b0e61585b5c41 [0,1,0,0,1,0|2,0,0]=4 2599 B19R3.8304 Fc1cccn2c1nc(n2)NC3CCCCC3 455169bdbfbdef4243895495e97066e4 [0,1,0,0,1,0|2,0,0]=4 2600 B19R3.8304 Ic1cccc2c1nc(s2)NC3C=CCCC3 692a47eb0524c169eb841fd8e81236ad [0,1,0,0,1,0|0,0,2]=4 2601 B19R3.8304 Ic1cccc2n1nc(n2)NC3CCCCC3 c206e861c28528092fca286916fab44c [0,1,0,0,1,0|2,0,0]=4 2602 B19R3.8304 Ic1cccn2c1nc(n2)NC3CCCCC3 f019e426f8848cdf86a020e85c908cdf [0,1,0,0,1,0|2,0,0]=4 2603 B19R3.54463 CC1CC(CCO1)Nc2cc3ccccc3s2 3c064788660dc9cdfeeb2a022a6ac1af [0,1,0,0,1,0|2,0,0]=4 2604 B19R3.54463 CC1CC(CCO1)Nc2nc3ccccc3[nH]2 8c43d0b8affb4864f3d4bc28fee5d9b8 [0,1,0,0,1,0|2,0,0]=4 2605 B19R3.54463 CC1CC(CCO1)Nc2nc3ccccc3o2 c666398caf6869070c89fd81d4e77f50 [0,1,0,0,1,0|1,1,0]=4 2606 B19R3.54463 CC1CC(CCO1)Nc2nc3ccccc3s2 1df85c50b41ee81c741139128429047e [0,1,0,0,1,0|1,0,0]=3 2607 B19R3.54463 CC1CC(CCO1)Nc2nc3ccncc3s2 568ec2d708a9ae1163228bfdb0cbf187 [0,1,0,0,1,0|2,0,0]=4 2608 B19R3.54463 CC1CC(CCO1)Nc2nc3ncccc3s2 a8e0edb3fc9c739bd743720f75f3564c [0,1,0,0,1,0|2,0,0]=4 2609 B19R3.54463 CC1CCCC(C1)Nc2cc3ccccc3o2 047dcb78933309159bbabccacaca65cd [0,1,0,0,1,0|1,1,0]=4 2610 B19R3.54463 CC1CCCC(C1)Nc2cc3ccccc3s2 291deb832d7fbaa21e618d6363afe0fd [0,1,0,0,1,0|1,0,0]=3 2611 B19R3.54463 CC1CCCC(C1)Nc2cc3ccccn3n2 965612cccb91ce71c6f1962d3dcfa2bd [0,1,0,0,1,0|2,0,0]=4 2612 B19R3.54463 CC1CCCC(C1)Nc2cc3cccnc3s2 f138ee0a6d23ae937b6b86a7d360d583 [0,1,0,0,1,0|2,0,0]=4 2613 B19R3.54463 CC1CCCC(C1)Nc2cc3cnccc3s2 ee45308b7cab35e962094e8b871886e4 [0,1,0,0,1,0|2,0,0]=4 2614 B19R3.54463 CC1CCCC(C1)Nc2cn3ccccc3n2 94640b9be8df7a547a603a663c58bc11 [0,1,0,0,1,0|2,0,0]=4 2615 B19R3.54463 CC1CCCC(C1)Nc2nc3ccccc3o2 7f837fbf812d5003618181a67a433daa [0,1,0,0,1,0|0,1,0]=3 2616 B19R3.54463 CC1CCCC(C1)Nc2nc3ccccn3n2 68d6551d53b67f54015b8b1d11ec3a13 [0,1,0,0,1,0|2,0,0]=4 2617 B19R3.54463 CC1CCCC(C1)Nc2nc3cccnc3o2 5cddff8e34993912d062a9d7ef097e17 [0,1,0,0,1,0|1,1,0]=4 2618 B19R3.54463 CC1CCCC(C1)Nc2nc3ncccc3[nH]2 80a1036f208e3ee74ab4ad3d378e59ab [0,1,0,0,1,0|2,0,0]=4 2619 B19R3.54463 CC1CCCC(C1)Nc2nc3ncccc3o2 f4060a4d1c853bdde6e96d4c76aac594 [0,1,0,0,1,0|1,1,0]=4 2620 B19R3.54463 CC1CCCC(C1)Nc2nc3ncccc3s2 2ad7d3d0af52b1e28e7c500ce07628c7 [0,1,0,0,1,0|1,0,0]=3 2621 B19R3.54463 CC1CCCC(C1)Nc2nc3nccnc3s2 523b6faccea4652bc89e3e49e113b6d0 [0,1,0,0,1,0|2,0,0]=4 2622 B19R3.54463 CC1CCCN(C1)Cc2nc3ccccc3s2 34ae5fd4dbdfe3bdbbdf4833bbd350a8 [0,1,0,0,1,0|2,0,0]=4 2623 B19R3.54463 CN1CCCC(C1)Nc2cc3ccccc3s2 4734e663ace1dbf87a3883b02d52875f [0,1,0,0,1,0|2,0,0]=4 2624 B19R3.54463 CN1CCCC(C1)Nc2nc3ccccc3o2 34f547295f739e203f1aece5d2efc80c [0,1,0,0,1,0|1,1,0]=4 2625 B19R3.54463 CN1CCC[C@@H](C1)Nc2cc3ccccc3s2 6f1287aeefc53cd5c6f3c7bed8945b4b [0,1,0,0,1,0|2,0,0]=4 2626 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3ccccc3[nH]2 d23e40bb73641802476fd9481f41b112 [0,1,0,0,1,0|2,0,0]=4 2627 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3ccccc3o2 0e92bdfb6c585c3a1467fda79297dce3 [0,1,0,0,1,0|1,1,0]=4 2628 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3cnccc3s2 985403cc08257cccf5f8b2e6d24734b2 [0,1,0,0,1,0|2,0,0]=4 2629 B19R3.54463 CN1CCC[C@H](C1)Nc2cc3ccccc3s2 c87768238d8f74f5945c64795e36a10d [0,1,0,0,1,0|2,0,0]=4 2630 B19R3.54463 CN1CCC[C@H](C1)Nc2nc3ccccc3[nH]2 8c069853967f5c42aee0eb639cf16aa0 [0,1,0,0,1,0|2,0,0]=4 2631 B19R3.54463 CN1CCC[C@H](C1)Nc2nc3ccccc3o2 d9cf0d1c0eb7dea9646eb91abebff2b3 [0,1,0,0,1,0|1,1,0]=4 2632 B19R3.54463 CN1CCC[C@H](C1)Nc2nc3cnccc3s2 c09a3a6c57e9ce94efed38069e3bd7ea [0,1,0,0,1,0|2,0,0]=4 2633 B19R3.54463 C[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 ddec9f1932190c637081020db9dabb1a [0,1,0,0,1,0|2,0,0]=4 2634 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cc3ccccc3o2 114efa44ca0c46b0ebe0e33c8bfbcd98 [0,1,0,0,1,0|1,1,0]=4 2635 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cc3ccccc3s2 9b329a7b2114831284857e146e5689fd [0,1,0,0,1,0|1,0,0]=3 2636 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cc3ccccn3n2 e3306bc03401f368312c3c1ac7c8601b [0,1,0,0,1,0|2,0,0]=4 2637 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cc3cccnc3s2 448137abf07470984d9629b0dc87425a [0,1,0,0,1,0|2,0,0]=4 2638 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cc3cnccc3s2 b242acb45ed3879a8d696e496f95c1c7 [0,1,0,0,1,0|2,0,0]=4 2639 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2cn3ccccc3n2 c1fcefdcbcf1ac7df41457f3a33cabf9 [0,1,0,0,1,0|2,0,0]=4 2640 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3ccccc3o2 bc34784a691e7b0ffee176f632aeca64 [0,1,0,0,1,0|0,1,0]=3 2641 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3ccccn3n2 4b35d5df322c8dee571284c26280fc61 [0,1,0,0,1,0|2,0,0]=4 2642 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3cccnc3o2 d02689668f597e5714b5129ef73f0577 [0,1,0,0,1,0|1,1,0]=4 2643 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3[nH]2 668ca509dd41a69f13184d2f0e4eb361 [0,1,0,0,1,0|2,0,0]=4 2644 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3o2 0f7f010e70fcf8271e31654600152fed [0,1,0,0,1,0|1,1,0]=4 2645 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3s2 301388d549c6ae6b3ed71f4ba020b190 [0,1,0,0,1,0|1,0,0]=3 2646 B19R3.54463 C[C@@H]1CCC[C@H](C1)Nc2nc3nccnc3s2 766ab88c034d8826da6fcf4941d82581 [0,1,0,0,1,0|2,0,0]=4 2647 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2cc3ccccc3s2 3f7fdbf63ed53ed05080a454a9800c93 [0,1,0,0,1,0|2,0,0]=4 2648 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2nc3ccccc3[nH]2 c4aa7055e514c8f07fd62a690f40487c [0,1,0,0,1,0|2,0,0]=4 2649 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2nc3ccccc3o2 3a06f63ce6ce9a2ac8db1cab088254f7 [0,1,0,0,1,0|1,1,0]=4 2650 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2nc3ccccc3s2 573e405d6f741162ab240effa411e32a [0,1,0,0,1,0|1,0,0]=3 2651 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2nc3ccncc3s2 a096693e74bf90026a45b3a143165f6c [0,1,0,0,1,0|2,0,0]=4 2652 B19R3.54463 C[C@@H]1C[C@@H](CCO1)Nc2nc3ncccc3s2 8c645e417f171102e65703d9210d6b6e [0,1,0,0,1,0|2,0,0]=4 2653 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2cc3ccccc3s2 60f89ae1adb2451c947dd00bd4b347bf [0,1,0,0,1,0|2,0,0]=4 2654 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2nc3ccccc3[nH]2 9f276b1106a9ce74769005ced80cf180 [0,1,0,0,1,0|2,0,0]=4 2655 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2nc3ccccc3o2 e6dc5cfa1b5ec677b35485d59255b689 [0,1,0,0,1,0|1,1,0]=4 2656 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2nc3ccccc3s2 c7a50201bd5d4107e2392205b172665a [0,1,0,0,1,0|1,0,0]=3 2657 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2nc3ccncc3s2 a118db82518a3f2dba7b9b2a2b31e394 [0,1,0,0,1,0|2,0,0]=4 2658 B19R3.54463 C[C@@H]1C[C@H](CCO1)Nc2nc3ncccc3s2 9b3ff4adfa677414915f7c025804ce02 [0,1,0,0,1,0|2,0,0]=4 2659 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 9a3738dac24bdecededa1f25d4967c1b [0,1,0,0,1,0|2,0,0]=4 2660 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2cc3ccccc3s2 d52cf8adc0a3109fde5c95b9ca1900af [0,1,0,0,1,0|2,0,0]=4 2661 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2nc3ccccc3[nH]2 7b6635080c9b249273c3c619d448e71a [0,1,0,0,1,0|2,0,0]=4 2662 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2nc3ccccc3o2 068a102174f98812bfb6306c34644f08 [0,1,0,0,1,0|1,1,0]=4 2663 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2nc3ccccc3s2 dd3e39987843fedb00d566d039fc89be [0,1,0,0,1,0|1,0,0]=3 2664 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2nc3ccncc3s2 f05b41394e5eb7a41924c62064b9fb8c [0,1,0,0,1,0|2,0,0]=4 2665 B19R3.54463 C[C@H]1C[C@@H](CCO1)Nc2nc3ncccc3s2 0b9eafa771c13a4b63ac964fed7f1d50 [0,1,0,0,1,0|2,0,0]=4 2666 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2cc3ccccc3s2 c36517bfc6982ec40b2855a2366a0d7a [0,1,0,0,1,0|2,0,0]=4 2667 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2nc3ccccc3[nH]2 f94d0c37eb64ccc198983b31d412ec94 [0,1,0,0,1,0|2,0,0]=4 2668 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2nc3ccccc3o2 a97b27a6721bc95489fb33d459bbd9c4 [0,1,0,0,1,0|1,1,0]=4 2669 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2nc3ccccc3s2 353d0873cb5776313f9a5a3e84ec4c3c [0,1,0,0,1,0|1,0,0]=3 2670 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2nc3ccncc3s2 85ed41e06985a81208c5592595e0f438 [0,1,0,0,1,0|2,0,0]=4 2671 B19R3.54463 C[C@H]1C[C@H](CCO1)Nc2nc3ncccc3s2 ce4a45a5178cce43b0d26f89b90b7292 [0,1,0,0,1,0|2,0,0]=4 2672 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 d0b89013c8834369d445081b75fdc024 [0,1,0,0,1,0|2,0,0]=4 2673 B19R3.54463 F[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 2cd674d6151609951e63de8ff6d21947 [0,1,0,0,1,0|2,0,0]=4 2674 B19R3.54463 F[C@H]1CCCN(C1)Cc2nc3ccccc3s2 8fe5dfc96d7452d41707c3fec9f2f21d [0,1,0,0,1,0|2,0,0]=4 2675 B19R3.54463 O=C1CCCC(C1)Nc2nc3ccccc3[nH]2 bd052b010feba98235e9a040f035e442 [0,1,0,0,1,0|1,0,1]=4 2676 B19R3.54463 O=C1CCCC(C1)Nc2nc3ccccc3o2 48be550813b3bb55e27d6a1cd21f5d10 [0,1,0,0,1,0|0,1,1]=4 2677 B19R3.54463 O=C1CCCC(C1)Nc2nc3ccncc3s2 a84c9421931f0fce8bf927c1f3de0dff [0,1,0,0,1,0|1,0,1]=4 2678 B19R3.54463 O=C1CCCC(C1)Nc2nc3cnccc3s2 8a17d49e607e524a585aa9e55a172c08 [0,1,0,0,1,0|1,0,1]=4 2679 B19R3.54463 OC1CCCC(C1)Nc2cc3ccccc3o2 fa2ecd01d7d8874a1491e172b53ab0b8 [0,1,0,0,1,0|1,1,0]=4 2680 B19R3.54463 OC1CCCC(C1)Nc2cc3ccccn3n2 283a9cdf20d0a63822ce25ed06006f38 [0,1,0,0,1,0|2,0,0]=4 2681 B19R3.54463 OC1CCCC(C1)Nc2cc3cnccc3s2 4a479d8b0881326080226d8694a02523 [0,1,0,0,1,0|2,0,0]=4 2682 B19R3.54463 OC1CCCC(C1)Nc2cn3ccccc3n2 f3225543e2a5bdf04581a31aac888745 [0,1,0,0,1,0|2,0,0]=4 2683 B19R3.54463 OC1CCCC(C1)Nc2nc3ccccc3o2 570b441b9d122c329a6ecf328b8f994a [0,1,0,0,1,0|0,1,0]=3 2684 B19R3.54463 OC1CCCC(C1)Nc2nc3ccccn3n2 1cea98ebb85b3d7fc8d47850005c91b7 [0,1,0,0,1,0|2,0,0]=4 2685 B19R3.54463 OC1CCCC(C1)Nc2nc3cccnc3o2 31582d3f198f7c4ab5b5ca4e8546a40b [0,1,0,0,1,0|1,1,0]=4 2686 B19R3.54463 OC1CCCC(C1)Nc2nc3ncccc3[nH]2 f1f58bae92f887403c7d9be61c2ae326 [0,1,0,0,1,0|2,0,0]=4 2687 B19R3.54463 OC1CCCC(C1)Nc2nc3ncccc3o2 794707f3cc06411ee67d8236076db6a5 [0,1,0,0,1,0|1,1,0]=4 2688 B19R3.54463 OC1CCCC(C1)Nc2nc3ncccc3s2 3265785b85eb9c3c517d66eebe7a334c [0,1,0,0,1,0|1,0,0]=3 2689 B19R3.54463 OC1CCCC(C1)Nc2nc3nccnc3s2 c16e54fc306f0c4b75d8538784cc66a7 [0,1,0,0,1,0|2,0,0]=4 2690 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 3be54089872f38681e1653e73d5e53c7 [0,1,0,0,1,0|2,0,0]=4 2691 B19R3.54463 OC1COCC(C1)Nc2cc3ccccc3s2 6f3a1906685670a94cfbb7127c7e4086 [0,1,0,0,1,0|2,0,0]=4 2692 B19R3.54463 OC1COCC(C1)Nc2nc3ccccc3[nH]2 4b5b33b62f47732a4d4e84a29a3e8fa4 [0,1,0,0,1,0|2,0,0]=4 2693 B19R3.54463 OC1COCC(C1)Nc2nc3ccccc3o2 5b45fed3b33cd6398d8308e97ac56e81 [0,1,0,0,1,0|1,1,0]=4 2694 B19R3.54463 O[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 c0faaf6bb7a864ca750839f9f6aabbd9 [0,1,0,0,1,0|2,0,0]=4 2695 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2cc3ccccc3o2 0cf60a590ada9b8ed9ba806c00672699 [0,1,0,0,1,0|1,1,0]=4 2696 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2cc3ccccn3n2 f6579b5ef5078a5b12d185a45be0df7b [0,1,0,0,1,0|2,0,0]=4 2697 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2cc3cnccc3s2 43de9eaec604f3129b84eb3bab131fbb [0,1,0,0,1,0|2,0,0]=4 2698 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2cn3ccccc3n2 4355e40a498d45ad03720c2aa1a4f4f2 [0,1,0,0,1,0|2,0,0]=4 2699 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3ccccc3o2 db93d4bc36c7a741575331b29dfcd920 [0,1,0,0,1,0|0,1,0]=3 2700 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3ccccn3n2 1d593a0b935d26678f3adb9d1c767852 [0,1,0,0,1,0|2,0,0]=4 2701 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3cccnc3o2 0975b79a468e05201544b999505e8668 [0,1,0,0,1,0|1,1,0]=4 2702 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3ncccc3[nH]2 2fb458f56f25404b84e79cbfebae0bb7 [0,1,0,0,1,0|2,0,0]=4 2703 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3ncccc3o2 acea7a9ea95bda30aad289424687bd72 [0,1,0,0,1,0|1,1,0]=4 2704 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3ncccc3s2 462280b949297e26b9f4e50b7ada24e7 [0,1,0,0,1,0|1,0,0]=3 2705 B19R3.54463 O[C@@H]1CCC[C@@H](C1)Nc2nc3nccnc3s2 202d17859cdd0d80dc13b62d8f2f32ab [0,1,0,0,1,0|2,0,0]=4 2706 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2cc3ccccc3o2 cd1e1072be13c880489a7d60cbd00786 [0,1,0,0,1,0|1,1,0]=4 2707 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2cc3ccccn3n2 c181f8fb8df97e9e05cb0e3294ae79d2 [0,1,0,0,1,0|2,0,0]=4 2708 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2cc3cnccc3s2 94da8294f3bafe7ef70b97b79f935544 [0,1,0,0,1,0|2,0,0]=4 2709 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2cn3ccccc3n2 e0a0237a798f48a3741a50d79ec63253 [0,1,0,0,1,0|2,0,0]=4 2710 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3ccccc3o2 1b938a2d08a0bb2131cbf1f95bdd841a [0,1,0,0,1,0|0,1,0]=3 2711 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3ccccn3n2 0083315d21044bf85a0f16dffcac412f [0,1,0,0,1,0|2,0,0]=4 2712 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3cccnc3o2 9068e0a7abee4d2732ad77ed53d947a7 [0,1,0,0,1,0|1,1,0]=4 2713 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3[nH]2 35ed2822c150e62f1ca1f2a7dbf909fa [0,1,0,0,1,0|2,0,0]=4 2714 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3o2 fbba36d7d91b270f87966a921e262170 [0,1,0,0,1,0|1,1,0]=4 2715 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3ncccc3s2 eb6770e0fb846e65aa995b2b7c7ffb7e [0,1,0,0,1,0|1,0,0]=3 2716 B19R3.54463 O[C@@H]1CCC[C@H](C1)Nc2nc3nccnc3s2 5a156dead02f1a75feaeb18b4345b81a [0,1,0,0,1,0|2,0,0]=4 2717 B19R3.54463 O[C@@H]1COC[C@@H](C1)Nc2cc3ccccc3s2 18ad84c780fb54286b1e98b69214fafa [0,1,0,0,1,0|2,0,0]=4 2718 B19R3.54463 O[C@@H]1COC[C@@H](C1)Nc2nc3ccccc3[nH]2 318dce1ef5f8cea94e8d9034b8b6cfe9 [0,1,0,0,1,0|2,0,0]=4 2719 B19R3.54463 O[C@@H]1COC[C@@H](C1)Nc2nc3ccccc3o2 e1d875c74c8afe91b42e16fdf630f899 [0,1,0,0,1,0|1,1,0]=4 2720 B19R3.54463 O[C@H]1CCCN(C1)Cc2nc3ccccc3s2 16b2a897cfcd4f4df473c1a1cbe95bdc [0,1,0,0,1,0|2,0,0]=4 2721 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2cc3ccccc3o2 f62ef7f1bac533c73d54bf532580c338 [0,1,0,0,1,0|1,1,0]=4 2722 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2cc3ccccn3n2 d66b8f57ed2140077042f3b676433261 [0,1,0,0,1,0|2,0,0]=4 2723 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2cc3cnccc3s2 3349c8e3db6a7e99e5bc65fe28b3591e [0,1,0,0,1,0|2,0,0]=4 2724 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2cn3ccccc3n2 71fd87dfcfc2ffc5772e54e38d2bf05f [0,1,0,0,1,0|2,0,0]=4 2725 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3ccccc3o2 6d520e1a022e2594dfb80c8f386482fd [0,1,0,0,1,0|0,1,0]=3 2726 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3ccccn3n2 570391a46ff8ff73b4cb349dea539224 [0,1,0,0,1,0|2,0,0]=4 2727 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3cccnc3o2 0389f06508948d4a11d9a1b181ed9169 [0,1,0,0,1,0|1,1,0]=4 2728 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3ncccc3[nH]2 5fcc25242ea5a4f66ddb4cb6269bdfec [0,1,0,0,1,0|2,0,0]=4 2729 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3ncccc3o2 703567503f4e2fecb45073f79b9b9760 [0,1,0,0,1,0|1,1,0]=4 2730 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3ncccc3s2 be4c702d5a87042ca75b21498c8b4e57 [0,1,0,0,1,0|1,0,0]=3 2731 B19R3.54463 O[C@H]1CCC[C@@H](C1)Nc2nc3nccnc3s2 90b2f0f416ea997d21adc8431196b365 [0,1,0,0,1,0|2,0,0]=4 2732 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2cc3ccccc3o2 dc1a23990cffc1d1d247ee1fc0bcc356 [0,1,0,0,1,0|1,1,0]=4 2733 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2cc3ccccn3n2 4211ebe50ed8f424ed83d6fc7e98de03 [0,1,0,0,1,0|2,0,0]=4 2734 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2cc3cnccc3s2 26f29267f3230e79f2a705fe84ebd2dc [0,1,0,0,1,0|2,0,0]=4 2735 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2cn3ccccc3n2 98187bd67287f53d13c10491b5e54b6b [0,1,0,0,1,0|2,0,0]=4 2736 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3ccccc3o2 196fe229b050282b85200b2bbb69c40e [0,1,0,0,1,0|0,1,0]=3 2737 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3ccccn3n2 b1b64fd88fbb8eadc33f234c3e93fc96 [0,1,0,0,1,0|2,0,0]=4 2738 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3cccnc3o2 4b6ff8af483abb4effc80c5ea0180d96 [0,1,0,0,1,0|1,1,0]=4 2739 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3ncccc3[nH]2 f0b8a1a2c474799bcc900e1f0325f587 [0,1,0,0,1,0|2,0,0]=4 2740 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3ncccc3o2 53a79af49204e24a12265be46b396a05 [0,1,0,0,1,0|1,1,0]=4 2741 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3ncccc3s2 f7fbd68d140d06ecc598171cf3fe8b3c [0,1,0,0,1,0|1,0,0]=3 2742 B19R3.54463 O[C@H]1CCC[C@H](C1)Nc2nc3nccnc3s2 de0ff4b1af09e423c755b7d9643c8975 [0,1,0,0,1,0|2,0,0]=4 2743 B19R3.54463 O[C@H]1COC[C@H](C1)Nc2cc3ccccc3s2 cf96aff6cea6ef3404caa7a3006a5ca6 [0,1,0,0,1,0|2,0,0]=4 2744 B19R3.54463 O[C@H]1COC[C@H](C1)Nc2nc3ccccc3[nH]2 36ab7a337392c945e45e806c5a61183a [0,1,0,0,1,0|2,0,0]=4 2745 B19R3.54463 O[C@H]1COC[C@H](C1)Nc2nc3ccccc3o2 53d8281c83c7b5042e57f07da531e0df [0,1,0,0,1,0|1,1,0]=4 2746 B19R3.88146 Brc1ccc2cc(nn2c1)NC3CCCCC3 37481492850baea8d1959379f5b53713 [0,1,0,0,1,0|2,0,0]=4 2747 B19R3.88146 Brc1ccc2nc(nn2c1)NC3CCCCC3 664e4063bc6980b679e4d408623040f5 [0,1,0,0,1,0|2,0,0]=4 2748 B19R3.88146 Brc1ccc2nc(oc2c1)NC3CCCCC3 6438a8e8a45d357dd4e79588ad6f59e3 [0,1,0,0,1,0|0,1,0]=3 2749 B19R3.88146 Brc1ccc2nc(oc2c1)NC3CCCCO3 76734cf266962eb96b05b001c7a660ad [0,1,0,0,1,0|1,1,0]=4 2750 B19R3.88146 Brc1ccc2nc(oc2c1)NC3CCCOC3 cbcb317acd730dd41dddbbd8324e9165 [0,1,0,0,1,0|1,1,0]=4 2751 B19R3.88146 Brc1ccc2nc(oc2c1)NC3CCOCC3 2c4eb82377b54d3a5e1c6851410cffd8 [0,1,0,0,1,0|1,1,0]=4 2752 B19R3.88146 Brc1ccc2nc(oc2c1)NC3CCSCC3 91af31fbdf6a25fcd75d2d5509311a70 [0,1,0,0,1,0|1,1,0]=4 2753 B19R3.88146 Brc1ccc2nc(sc2c1)NC3C=CCCC3 c8374f06c2a4a57507d00e650f6c96d9 [0,1,0,0,1,0|0,0,2]=4 2754 B19R3.88146 Brc1ccc2nc(sc2c1)NC3CCCCC3 45a7353f3685e8e5212daf0adc07f232 [0,1,0,0,1,0|0,0,0]=2 2755 B19R3.88146 Brc1ccc2nc(sc2c1)NC3CCCCO3 b073e8c2e9d89b7dba8a1abf69251f20 [0,1,0,0,1,0|1,0,0]=3 2756 B19R3.88146 Brc1ccc2nc(sc2c1)NC3CCOCC3 4322104abc3b0d7ecbce9d803546dac1 [0,1,0,0,1,0|1,0,0]=3 2757 B19R3.88146 Brc1ccc2nc(sc2n1)NC3CCCCC3 f9ef29ada29109019ae021259e0c93d8 [0,1,0,0,1,0|1,0,0]=3 2758 B19R3.88146 Brc1ccc2nc(sc2n1)NC3CCCCO3 7488e1dad8a20cdf4c059e419d4468d7 [0,1,0,0,1,0|2,0,0]=4 2759 B19R3.88146 Brc1ccc2nc(sc2n1)NC3CCOCC3 131740919da5ad4f698d122d698cbb6e [0,1,0,0,1,0|2,0,0]=4 2760 B19R3.88146 Brc1ccc2oc(nc2c1)NC3CCCCC3 8106546d68fb9cbced17f08d9d4945d9 [0,1,0,0,1,0|0,1,0]=3 2761 B19R3.88146 Brc1ccc2oc(nc2c1)NC3CCOCC3 687483bd0579d25df8c07ff9449bc932 [0,1,0,0,1,0|1,1,0]=4 2762 B19R3.88146 Brc1ccc2oc(nc2c1)NC3CCSCC3 c2dcbebbc2e31926dd13ff93361c6e3d [0,1,0,0,1,0|1,1,0]=4 2763 B19R3.88146 Brc1ccc2oc(nc2n1)NC3CCCCC3 7db0a4307583332d3c3beeea8688a592 [0,1,0,0,1,0|1,1,0]=4 2764 B19R3.88146 Brc1ccc2sc(nc2c1)NC3C=CCCC3 d8d6c1900737e46ba3206bd20df6f066 [0,1,0,0,1,0|0,0,2]=4 2765 B19R3.88146 Brc1ccn2cc(nc2c1)NC3CCCCC3 a29fbe4d941ae8c3e924de58626c0354 [0,1,0,0,1,0|2,0,0]=4 2766 B19R3.88146 Brc1ccn2nc(cc2c1)NC3CCCCC3 9b32551eaa91537618d717996e2b3241 [0,1,0,0,1,0|2,0,0]=4 2767 B19R3.88146 Brc1ccn2nc(nc2c1)NC3CCCCC3 857846b0138c58f0bd44609d0668ffdb [0,1,0,0,1,0|2,0,0]=4 2768 B19R3.88146 Cc1ccc2[nH]c(nc2c1)NC3CCCCC3 afd7923ffa1d27123c872ff4180b6ae9 [0,1,0,0,1,0|1,0,0]=3 2769 B19R3.88146 Cc1ccc2[nH]c(nc2c1)NC3CCCCO3 f0d279faedc0c32104637aca40cd47d9 [0,1,0,0,1,0|2,0,0]=4 2770 B19R3.88146 Cc1ccc2[nH]c(nc2c1)NC3CCOCC3 81a50744fc7e0fcb701ebb7d3f9701aa [0,1,0,0,1,0|2,0,0]=4 2771 B19R3.88146 Cc1ccc2nc(nn2c1)NC3CCCCC3 f9b7e72a85b2d1ad02ce3f1319ea45c7 [0,1,0,0,1,0|2,0,0]=4 2772 B19R3.88146 Cc1ccc2nc(oc2c1)NC3CCCCC3 aa35e80a73c3a81eb13871b1c44f2173 [0,1,0,0,1,0|0,1,0]=3 2773 B19R3.88146 Cc1ccc2nc(oc2c1)NC3CCCCO3 74f288e65214d0add2c2f6028f1b87fc [0,1,0,0,1,0|1,1,0]=4 2774 B19R3.88146 Cc1ccc2nc(oc2c1)NC3CCCOC3 8449a16f26c380dba550d4c0e9dcd769 [0,1,0,0,1,0|1,1,0]=4 2775 B19R3.88146 Cc1ccc2nc(oc2c1)NC3CCOCC3 369d92ece8cc3cec139d97a9fe6b45f9 [0,1,0,0,1,0|1,1,0]=4 2776 B19R3.88146 Cc1ccc2nc(oc2c1)NC3CCSCC3 740750b03818a14eda515a77cbe8d89f [0,1,0,0,1,0|1,1,0]=4 2777 B19R3.88146 Cc1ccc2nc(sc2c1)NC3C=CCCC3 2d16f8ba873497fe18fc8f2bbe363ad7 [0,1,0,0,1,0|0,0,2]=4 2778 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCCCC3 6d0e737ce3e2f16bea1999d907439007 [0,1,0,0,1,0|0,0,0]=2 2779 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCCCO3 b2b9fcb53c2d124749d2d3e74981cc7e [0,1,0,0,1,0|1,0,0]=3 2780 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCOCC3 acaa78493870515be05dd1140588d1fc [0,1,0,0,1,0|1,0,0]=3 2781 B19R3.88146 Cc1ccc2nc(sc2c1)OC3CCCCC3 d95d9cd64472aeabeaa612cc2d040f9a [0,1,0,0,1,0|0,1,0]=3 2782 B19R3.88146 Cc1ccc2nc(sc2c1)OC3CCCCO3 98109d03723d3470d48096b0a2bc10fa [0,1,0,0,1,0|1,1,0]=4 2783 B19R3.88146 Cc1ccc2nc(sc2c1)OC3CCCOC3 bad37b2fe5cb59fe5c255c44933498be [0,1,0,0,1,0|1,1,0]=4 2784 B19R3.88146 Cc1ccc2nc(sc2c1)OC3CCOCC3 f2bebea5b302bedc994dbea2d1beb455 [0,1,0,0,1,0|1,1,0]=4 2785 B19R3.88146 Cc1ccc2nc(sc2c1)OC3CCSCC3 6b2fc24fb56b035ed9e7f1a285dcbc37 [0,1,0,0,1,0|1,1,0]=4 2786 B19R3.88146 Cc1ccc2oc(nc2c1)NC3CCCCC3 9d2b5cefbc75c44169d72aef4601ba7f [0,1,0,0,1,0|0,1,0]=3 2787 B19R3.88146 Cc1ccc2oc(nc2c1)NC3CCCCO3 d72a2756be47a3dd4bd9627537973aa5 [0,1,0,0,1,0|1,1,0]=4 2788 B19R3.88146 Cc1ccc2oc(nc2c1)NC3CCCOC3 56fb1a873d7f57c054849252761c52dd [0,1,0,0,1,0|1,1,0]=4 2789 B19R3.88146 Cc1ccc2oc(nc2c1)NC3CCOCC3 b5f39a763849ea63069590b79a50a5f2 [0,1,0,0,1,0|1,1,0]=4 2790 B19R3.88146 Cc1ccc2oc(nc2c1)NC3CCSCC3 05efd6d7961683a5902836b4fdeccb8f [0,1,0,0,1,0|1,1,0]=4 2791 B19R3.88146 Cc1ccc2sc(nc2c1)NC3C=CCCC3 6926b3a558b50dfb593f73de284850ca [0,1,0,0,1,0|0,0,2]=4 2792 B19R3.88146 Cc1ccn2nc(nc2c1)NC3CCCCC3 b397284b2db9ed35d854cf64e15bf434 [0,1,0,0,1,0|2,0,0]=4 2793 B19R3.88146 Cc1cnc2nc(sc2c1)NC3CCOCC3 c6f0f627c9a8d8fffe26575cdb8c9fcc [0,1,0,0,1,0|2,0,0]=4 2794 B19R3.88146 Clc1cc2sc(nc2cn1)NC3CCOCC3 ebd9b088857cd03ff0220a99360a0b8f [0,1,0,0,1,0|2,0,0]=4 2795 B19R3.88146 Clc1ccc2[nH]c(nc2c1)NC3CCCCC3 3cc3500cada13ed1e11d8c25f8eadbd3 [0,1,0,0,1,0|1,0,0]=3 2796 B19R3.88146 Clc1ccc2[nH]c(nc2c1)OC3CCCCC3 82954441555d1ef44e7ab61479851dfb [0,1,0,0,1,0|1,1,0]=4 2797 B19R3.88146 Clc1ccc2nc([nH]c2n1)NC3CCCCC3 d05e4341016eb6017b150eedb3a87683 [0,1,0,0,1,0|2,0,0]=4 2798 B19R3.88146 Clc1ccc2nc(cn2c1)NC3CCCCC3 1a8f2b8e649ccafd74d2fd915af4f99d [0,1,0,0,1,0|2,0,0]=4 2799 B19R3.88146 Clc1ccc2nc(nn2c1)NC3CCCCC3 04ec817e3097af3144bcf7562c0c4c21 [0,1,0,0,1,0|2,0,0]=4 2800 B19R3.88146 Clc1ccc2nc(oc2c1)NC3CCCCC3 dca0976ad0d1cc4f67af5471fa98f738 [0,1,0,0,1,0|0,1,0]=3 2801 B19R3.88146 Clc1ccc2nc(oc2c1)NC3CCCCO3 e1d237798c3b41eb0c5d27ef04f93156 [0,1,0,0,1,0|1,1,0]=4 2802 B19R3.88146 Clc1ccc2nc(oc2c1)NC3CCCOC3 c59fed5d487cffb594625b23be54a551 [0,1,0,0,1,0|1,1,0]=4 2803 B19R3.88146 Clc1ccc2nc(oc2c1)NC3CCOCC3 eb548f596f36c101bd7be6f05c81ce4a [0,1,0,0,1,0|1,1,0]=4 2804 B19R3.88146 Clc1ccc2nc(oc2c1)NC3CCSCC3 c072648afb34b4c5be246a04a111e04c [0,1,0,0,1,0|1,1,0]=4 2805 B19R3.88146 Clc1ccc2nc(sc2c1)NC3C=CCCC3 320c87b46cfd881503ab33b3534b9f50 [0,1,0,0,1,0|0,0,2]=4 2806 B19R3.88146 Clc1ccc2nc(sc2c1)NC3CCCCC3 f4d435de5bbf6a53304efa492aafa05d [0,1,0,0,1,0|0,0,0]=2 2807 B19R3.88146 Clc1ccc2nc(sc2c1)NC3CCCCO3 66b7fdca695e9342377a563317a9b0e9 [0,1,0,0,1,0|1,0,0]=3 2808 B19R3.88146 Clc1ccc2nc(sc2c1)NC3CCOCC3 95c36c33cc7ea5c6d051cc5668617567 [0,1,0,0,1,0|1,0,0]=3 2809 B19R3.88146 Clc1ccc2nc(sc2c1)OC3CCCCC3 9286891de382c71f78a9b47447e6f6b6 [0,1,0,0,1,0|0,1,0]=3 2810 B19R3.88146 Clc1ccc2nc(sc2c1)OC3CCCCO3 e03ddd7069279e55828caa2e9e4dbdcc [0,1,0,0,1,0|1,1,0]=4 2811 B19R3.88146 Clc1ccc2nc(sc2c1)OC3CCOCC3 96799230422c430f07664f3860dbdcf0 [0,1,0,0,1,0|1,1,0]=4 2812 B19R3.88146 Clc1ccc2nc(sc2c1)OC3CCSCC3 3f5a6e5cd9da3d8557af544fdd83df7f [0,1,0,0,1,0|1,1,0]=4 2813 B19R3.88146 Clc1ccc2oc(nc2c1)NC3CCCCC3 eae5f7f642bccca9df0c94aa764025e5 [0,1,0,0,1,0|0,1,0]=3 2814 B19R3.88146 Clc1ccc2oc(nc2c1)NC3CCCCO3 edcc87b28b0f2bcdda87d94a5c437c93 [0,1,0,0,1,0|1,1,0]=4 2815 B19R3.88146 Clc1ccc2oc(nc2c1)NC3CCOCC3 5580f1524ef33388940f6a35d358187a [0,1,0,0,1,0|1,1,0]=4 2816 B19R3.88146 Clc1ccc2oc(nc2c1)NC3CCSCC3 063e0d8678904f3863a6cac5f82dfcbe [0,1,0,0,1,0|1,1,0]=4 2817 B19R3.88146 Clc1ccc2sc(nc2c1)NC3C=CCCC3 bdba53f2e4ff317f7073ad3b00565761 [0,1,0,0,1,0|0,0,2]=4 2818 B19R3.88146 Clc1ccn2nc(nc2c1)NC3CCCCC3 3a633c0c1b0ceaf920690624d1586b35 [0,1,0,0,1,0|2,0,0]=4 2819 B19R3.88146 Clc1cnc2oc(nc2c1)NC3CCCCC3 98a434179ce14b9fb03e1cadb7ed1159 [0,1,0,0,1,0|1,1,0]=4 2820 B19R3.88146 Fc1ccc2[nH]c(nc2c1)NC3CCSCC3 c3815c3bdee1820baa03886884378eae [0,1,0,0,1,0|2,0,0]=4 2821 B19R3.88146 Fc1ccc2nc([nH]c2c1)NC3CCOCC3 9f9e98a15c26ef4a247361f872a843d6 [0,1,0,0,1,0|2,0,0]=4 2822 B19R3.88146 Fc1ccc2nc(nn2c1)NC3CCCCC3 5e6faa91cbd30eccbb55d6824eac61c2 [0,1,0,0,1,0|2,0,0]=4 2823 B19R3.88146 Fc1ccc2nc(oc2c1)NC3CCCCC3 ce4c0ae5f1b9b47bc074cb315bae6675 [0,1,0,0,1,0|0,1,0]=3 2824 B19R3.88146 Fc1ccc2nc(oc2c1)NC3CCCCO3 cf898798c166fb802bb65e9f94561957 [0,1,0,0,1,0|1,1,0]=4 2825 B19R3.88146 Fc1ccc2nc(oc2c1)NC3CCCOC3 e57c459d329c2f848d9b58f6e5aebe0b [0,1,0,0,1,0|1,1,0]=4 2826 B19R3.88146 Fc1ccc2nc(oc2c1)NC3CCOCC3 3723700b6bec7f70ed40d2cb226c6951 [0,1,0,0,1,0|1,1,0]=4 2827 B19R3.88146 Fc1ccc2nc(oc2c1)NC3CCSCC3 327468f9cd492bf459ca11d616cdb736 [0,1,0,0,1,0|1,1,0]=4 2828 B19R3.88146 Fc1ccc2nc(oc2c1)N[C@@H]3CCCOC3 1a3c403243085a736822313f1a39c8a2 [0,1,0,0,1,0|1,1,0]=4 2829 B19R3.88146 Fc1ccc2nc(oc2c1)N[C@H]3CCCOC3 35701c4d5db78d52d3b50cd8ba839080 [0,1,0,0,1,0|1,1,0]=4 2830 B19R3.88146 Fc1ccc2nc(sc2c1)NC3C=CCCC3 f5773c09eb599428fa09b4c5a8b3d5ec [0,1,0,0,1,0|0,0,2]=4 2831 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCCCC3 4356ad7068c097c8f9e1594aea02b921 [0,1,0,0,1,0|0,0,0]=2 2832 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCCCO3 2d7279269805da1b884a1d29f5fb0ab8 [0,1,0,0,1,0|1,0,0]=3 2833 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCOCC3 68a61d764941b738bd67709712805980 [0,1,0,0,1,0|1,0,0]=3 2834 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCSCC3 736955c72511fad97cdc1058b9a30996 [0,1,0,0,1,0|1,0,0]=3 2835 B19R3.88146 Fc1ccc2nc(sc2c1)OC3CCCCC3 6f622d7ab25e8125b7bdc8ec69323d99 [0,1,0,0,1,0|0,1,0]=3 2836 B19R3.88146 Fc1ccc2nc(sc2c1)OC3CCCCO3 afcd1b700dfff4bf03a58736f280c673 [0,1,0,0,1,0|1,1,0]=4 2837 B19R3.88146 Fc1ccc2nc(sc2c1)OC3CCCOC3 28cc2caa57651dff994f02548e474b61 [0,1,0,0,1,0|1,1,0]=4 2838 B19R3.88146 Fc1ccc2nc(sc2c1)OC3CCOCC3 2fd1bb7f495fe2ded1d3f65ab850563f [0,1,0,0,1,0|1,1,0]=4 2839 B19R3.88146 Fc1ccc2nc(sc2c1)OC3CCSCC3 d08c5ceceaf51e9d216b9231a184e090 [0,1,0,0,1,0|1,1,0]=4 2840 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCCCC3 f71feadf751ee7207cc16b291a5913ea [0,1,0,0,1,0|1,0,0]=3 2841 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCCCO3 6c63a600e669cad4e7c022a8246d2681 [0,1,0,0,1,0|2,0,0]=4 2842 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCOCC3 641ad75919ce5df55d8371382bfe8a32 [0,1,0,0,1,0|2,0,0]=4 2843 B19R3.88146 Fc1ccc2oc(nc2c1)NC3CCCCC3 6005d3835fdda5ad940001d9a4208306 [0,1,0,0,1,0|0,1,0]=3 2844 B19R3.88146 Fc1ccc2oc(nc2c1)NC3CCCCO3 637cd599e820844309699a862b88c957 [0,1,0,0,1,0|1,1,0]=4 2845 B19R3.88146 Fc1ccc2oc(nc2c1)NC3CCOCC3 9c676edc9c88746eb3a8bb146108c99f [0,1,0,0,1,0|1,1,0]=4 2846 B19R3.88146 Fc1ccc2oc(nc2c1)NC3CCSCC3 b762267d3fd70d693342955f74b6f1cd [0,1,0,0,1,0|1,1,0]=4 2847 B19R3.88146 Fc1ccc2sc(nc2c1)NC3C=CCCC3 dd0df8ded8ae3c0c1db59b2dd6c62ae0 [0,1,0,0,1,0|0,0,2]=4 2848 B19R3.88146 Fc1ccn2nc(nc2c1)NC3CCCCC3 6042f9b114247a4254762d13ca2125cc [0,1,0,0,1,0|2,0,0]=4 2849 B19R3.88146 Ic1ccc2nc(cn2c1)NC3CCCCC3 22eb6576b08d7109dd3ac3b4bdf86445 [0,1,0,0,1,0|2,0,0]=4 2850 B19R3.88146 Ic1ccc2nc(nn2c1)NC3CCCCC3 440717d42577af16e5d82a734bdb90a2 [0,1,0,0,1,0|2,0,0]=4 2851 B19R3.88146 Ic1ccc2nc(oc2c1)NC3CCCCC3 3c808b646150fffb20448a6726f7c9c1 [0,1,0,0,1,0|0,1,0]=3 2852 B19R3.88146 Ic1ccc2nc(oc2c1)NC3CCCCO3 96b0aeffcff7eaf73537401153d90ad6 [0,1,0,0,1,0|1,1,0]=4 2853 B19R3.88146 Ic1ccc2nc(oc2c1)NC3CCCOC3 b7bbd56c444d7972b2cd0ded640b39ad [0,1,0,0,1,0|1,1,0]=4 2854 B19R3.88146 Ic1ccc2nc(oc2c1)NC3CCOCC3 09fb7083838a5b24ec63e442be8e8337 [0,1,0,0,1,0|1,1,0]=4 2855 B19R3.88146 Ic1ccc2nc(oc2c1)NC3CCSCC3 93b43802e1a5ec561907d5843716f0c2 [0,1,0,0,1,0|1,1,0]=4 2856 B19R3.88146 Ic1ccc2nc(sc2c1)NC3C=CCCC3 ba57e14e09aa1f7b9ffb4b1c27edd831 [0,1,0,0,1,0|0,0,2]=4 2857 B19R3.88146 Ic1ccc2nc(sc2c1)NC3CCCCC3 8b54f3be5c0cd83dbdcb224b163b3d96 [0,1,0,0,1,0|0,0,0]=2 2858 B19R3.88146 Ic1ccc2nc(sc2c1)NC3CCCCO3 913dab9581d7eb1ea703a4db4d355214 [0,1,0,0,1,0|1,0,0]=3 2859 B19R3.88146 Ic1ccc2nc(sc2c1)NC3CCOCC3 314568f5b889fefaf368e30b21dd62f6 [0,1,0,0,1,0|1,0,0]=3 2860 B19R3.88146 Ic1ccc2nc(sc2c1)NC3CCSCC3 4334656382bd74b18226e3026d1b1b2f [0,1,0,0,1,0|1,0,0]=3 2861 B19R3.88146 Ic1ccc2oc(nc2c1)NC3CCCCC3 018f5daccca229960161d969a75fcf0f [0,1,0,0,1,0|0,1,0]=3 2862 B19R3.88146 Ic1ccc2oc(nc2c1)NC3CCCCO3 53c2ed5eed5207b4878249e2b9b15ba6 [0,1,0,0,1,0|1,1,0]=4 2863 B19R3.88146 Ic1ccc2oc(nc2c1)NC3CCCOC3 73cc13116b049af083da47309e4457e0 [0,1,0,0,1,0|1,1,0]=4 2864 B19R3.88146 Ic1ccc2oc(nc2c1)NC3CCOCC3 9e029c2515962616c874e9bbefde0cbb [0,1,0,0,1,0|1,1,0]=4 2865 B19R3.88146 Ic1ccc2oc(nc2c1)NC3CCSCC3 9d5c02b786a44aa8a38a71cd864917ca [0,1,0,0,1,0|1,1,0]=4 2866 B19R3.171030 CC1CCCCC1Nc2cc3ccccc3o2 09c3e9f36539432595b2258d71af0188 [0,1,0,0,1,0|1,1,0]=4 2867 B19R3.171030 CC1CCCCC1Nc2cc3ccccc3s2 c355b5d34dbc55d7cec27d0f5ba1c12f [0,1,0,0,1,0|1,0,0]=3 2868 B19R3.171030 CC1CCCCC1Nc2cc3ccccn3n2 928d0c5a22768759b78ce8c2e5d56cb5 [0,1,0,0,1,0|2,0,0]=4 2869 B19R3.171030 CC1CCCCC1Nc2cc3cccnc3s2 3f9643bd9623314c459745b33373aa6e [0,1,0,0,1,0|2,0,0]=4 2870 B19R3.171030 CC1CCCCC1Nc2cc3cnccc3s2 5dd99bfcc8affaa05dac4c581152b67f [0,1,0,0,1,0|2,0,0]=4 2871 B19R3.171030 CC1CCCCC1Nc2cn3ccccc3n2 573ca110a4d0203607c4e1626967120f [0,1,0,0,1,0|2,0,0]=4 2872 B19R3.171030 CC1CCCCC1Nc2nc3ccccn3n2 6fdc0169973459a83ea40bdb094379da [0,1,0,0,1,0|2,0,0]=4 2873 B19R3.171030 CC1CCCCC1Nc2nc3cccnc3o2 5f72c0a2850958e1dc1bcba0057077a7 [0,1,0,0,1,0|1,1,0]=4 2874 B19R3.171030 CC1CCCCC1Nc2nc3ncccc3[nH]2 bdc50fa9329ebb99f479fbd18dc9fe5d [0,1,0,0,1,0|2,0,0]=4 2875 B19R3.171030 CC1CCCCC1Nc2nc3ncccc3o2 4a0786d2160828742b047a1e260c4ee9 [0,1,0,0,1,0|1,1,0]=4 2876 B19R3.171030 CC1CCCCC1Nc2nc3nccnc3s2 a8fd045a7d21be901051647c52b1644e [0,1,0,0,1,0|2,0,0]=4 2877 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 802cc87543934665783f6dfcda51cae6 [0,1,0,0,1,0|2,0,0]=4 2878 B19R3.171030 CC1COCCC1Nc2cc3ccccc3s2 3f459f81e5a9c64ffaa060d31d7bca66 [0,1,0,0,1,0|2,0,0]=4 2879 B19R3.171030 CC1COCCC1Nc2nc3ccccc3o2 9011f8645e514630722d5f1932e9833f [0,1,0,0,1,0|1,1,0]=4 2880 B19R3.171030 C[C@@H]1CCCCN1Cc2nc3ccccc3s2 3792eb55f61b3788b1493ab390275441 [0,1,0,0,1,0|2,0,0]=4 2881 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cc3ccccc3o2 b14c54a78a3b12a422eab78917e82676 [0,1,0,0,1,0|1,1,0]=4 2882 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cc3ccccc3s2 78ad1f40a09c9491112cfdad0a27267a [0,1,0,0,1,0|1,0,0]=3 2883 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cc3ccccn3n2 e544ac85d979e545f4bd74ea80d794bc [0,1,0,0,1,0|2,0,0]=4 2884 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cc3cccnc3s2 ebd1007b1302f5c71a75fc35aae5091f [0,1,0,0,1,0|2,0,0]=4 2885 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cc3cnccc3s2 d807641957a92d7da58af05b8c125ad2 [0,1,0,0,1,0|2,0,0]=4 2886 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2cn3ccccc3n2 9a3442f24341eb2ebaa650dea71db750 [0,1,0,0,1,0|2,0,0]=4 2887 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccccc3[nH]2 8049f85f00a493c5384da1ba501d76ea [0,1,0,0,1,0|1,0,0]=3 2888 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccccc3o2 8d081881f5a1828faf3bfd9b0f4c983c [0,1,0,0,1,0|0,1,0]=3 2889 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccccc3s2 f6804fea63e02103c5797544a7144557 [0,1,0,0,1,0|0,0,0]=2 2890 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccccn3n2 79e7207e2e9576e15ac3c322f4a07679 [0,1,0,0,1,0|2,0,0]=4 2891 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cccnc3o2 d9139b11b8c665fc6d49a6500d3c8e64 [0,1,0,0,1,0|1,1,0]=4 2892 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cccnc3s2 a82229543b584b6d779f003e4e96d85d [0,1,0,0,1,0|1,0,0]=3 2893 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccncc3o2 59ee104cac94dfe395357f554a4763e9 [0,1,0,0,1,0|1,1,0]=4 2894 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ccncc3s2 e9e131366846bb9bed1bbc855ac2dd61 [0,1,0,0,1,0|1,0,0]=3 2895 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cnccc3[nH]2 d02b0d7564da77324bb4d3e9160edbbb [0,1,0,0,1,0|2,0,0]=4 2896 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cnccc3o2 1a1794b552eb8b76277075916127ff56 [0,1,0,0,1,0|1,1,0]=4 2897 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cnccc3s2 3c40c5fa5324b06b3aca9a9349a0a9a4 [0,1,0,0,1,0|1,0,0]=3 2898 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3cncnc3s2 213d3726edced1e38af39dfa569a6396 [0,1,0,0,1,0|2,0,0]=4 2899 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ncccc3[nH]2 24fdf6bdd078b36fbee77b6814372035 [0,1,0,0,1,0|2,0,0]=4 2900 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ncccc3o2 2af3dc18fd5a52638de41e65a7eee304 [0,1,0,0,1,0|1,1,0]=4 2901 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3ncccc3s2 3e42125622afbbab996a372a5198b32a [0,1,0,0,1,0|1,0,0]=3 2902 B19R3.171030 C[C@@H]1CCCC[C@@H]1Nc2nc3nccnc3s2 7daa2ef2efcf725d26c6474c117e40c0 [0,1,0,0,1,0|2,0,0]=4 2903 B19R3.171030 C[C@@H]1CCCC[C@@H]1Oc2cc3ccccc3s2 0bb29ee6ca931b6d08aca086b295d86a [0,1,0,0,1,0|1,1,0]=4 2904 B19R3.171030 C[C@@H]1CCCC[C@@H]1Oc2nc3ccccc3[nH]2 38ec6b4005b4572be70df84f51b5f75c [0,1,0,0,1,0|1,1,0]=4 2905 B19R3.171030 C[C@@H]1CCCC[C@@H]1Oc2nc3ccccc3s2 f00716c346b9bd4128208ae6b29e328f [0,1,0,0,1,0|0,1,0]=3 2906 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cc3ccccc3o2 a081d137a26dcff269cf0999b4c28df9 [0,1,0,0,1,0|1,1,0]=4 2907 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cc3ccccc3s2 04a458853d5c46374c1901bc0faef4a1 [0,1,0,0,1,0|1,0,0]=3 2908 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cc3ccccn3n2 ed59de0d6234ec15171da317c6ae1ef3 [0,1,0,0,1,0|2,0,0]=4 2909 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cc3cccnc3s2 e0bd59a1eab5623bf1904d6af875d329 [0,1,0,0,1,0|2,0,0]=4 2910 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cc3cnccc3s2 93c8b97d1f88d0d10684a2f7444fd173 [0,1,0,0,1,0|2,0,0]=4 2911 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2cn3ccccc3n2 ada0736da15821578536ac83483ab999 [0,1,0,0,1,0|2,0,0]=4 2912 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2nc3ccccn3n2 ef86f0fe05e962311e8a0824fdcdede2 [0,1,0,0,1,0|2,0,0]=4 2913 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2nc3cccnc3o2 7e59a4afd4421f127729c27b969c744e [0,1,0,0,1,0|1,1,0]=4 2914 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2nc3ncccc3[nH]2 e519fa4f1ad95d380bc33f72ee423107 [0,1,0,0,1,0|2,0,0]=4 2915 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2nc3ncccc3o2 77b416a02851d23e2acb08530f551b66 [0,1,0,0,1,0|1,1,0]=4 2916 B19R3.171030 C[C@@H]1CCCC[C@H]1Nc2nc3nccnc3s2 870a3479f306529a252d81bf5ad82c29 [0,1,0,0,1,0|2,0,0]=4 2917 B19R3.171030 C[C@@H]1COCC[C@@H]1Nc2cc3ccccc3s2 860e6424f745083f60ee4db874c5a2a1 [0,1,0,0,1,0|2,0,0]=4 2918 B19R3.171030 C[C@@H]1COCC[C@@H]1Nc2nc3ccccc3o2 b7ef67fa188ac12b134d19798b6c8eaa [0,1,0,0,1,0|1,1,0]=4 2919 B19R3.171030 C[C@H]1CCCCN1Cc2nc3ccccc3s2 2277d62882335f1b22dcbe8c685978a4 [0,1,0,0,1,0|2,0,0]=4 2920 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cc3ccccc3o2 0801dc375a5e8f67ad623dfea0578785 [0,1,0,0,1,0|1,1,0]=4 2921 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cc3ccccc3s2 4fc2f29f95dbc73eac71e667537180f8 [0,1,0,0,1,0|1,0,0]=3 2922 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cc3ccccn3n2 5044c7cc31912b131d4ee180b688c16b [0,1,0,0,1,0|2,0,0]=4 2923 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cc3cccnc3s2 99a26bfb04f9703af56f5c5e05021f7c [0,1,0,0,1,0|2,0,0]=4 2924 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cc3cnccc3s2 fb6c5eacd604f0a3887da12e3d4411e7 [0,1,0,0,1,0|2,0,0]=4 2925 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2cn3ccccc3n2 b057934d3753e50fc29b3088c748dbe5 [0,1,0,0,1,0|2,0,0]=4 2926 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2nc3ccccn3n2 aa04469b6cc85b527c049e8d7e99d835 [0,1,0,0,1,0|2,0,0]=4 2927 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2nc3cccnc3o2 733a4e9fa4d6dfac3ab730044fb693cc [0,1,0,0,1,0|1,1,0]=4 2928 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2nc3ncccc3[nH]2 2eb345677868b6d09f5c3bee793295d6 [0,1,0,0,1,0|2,0,0]=4 2929 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2nc3ncccc3o2 e1827be1aba1aa006167ec453e2a91af [0,1,0,0,1,0|1,1,0]=4 2930 B19R3.171030 C[C@H]1CCCC[C@@H]1Nc2nc3nccnc3s2 de376e254835fb54337f752f4bdad72a [0,1,0,0,1,0|2,0,0]=4 2931 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cc3ccccc3o2 b805f06fa300c4c078bf03f43c299eee [0,1,0,0,1,0|1,1,0]=4 2932 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cc3ccccc3s2 0555f608ecc729236be80490705d59ea [0,1,0,0,1,0|1,0,0]=3 2933 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cc3ccccn3n2 f687249f461b8fe05e83b0d6968e4431 [0,1,0,0,1,0|2,0,0]=4 2934 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cc3cccnc3s2 c9f6e76665ebe84bbf41249ea33f1e23 [0,1,0,0,1,0|2,0,0]=4 2935 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cc3cnccc3s2 79dab236317be104258600c31b6c3bdf [0,1,0,0,1,0|2,0,0]=4 2936 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2cn3ccccc3n2 0021bf91258e7d987481a5552200affb [0,1,0,0,1,0|2,0,0]=4 2937 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2nc3ccccn3n2 77c3cea2693ba505866fa43302eeb408 [0,1,0,0,1,0|2,0,0]=4 2938 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2nc3cccnc3o2 c86587b52fbedad2bfa679eebd9ff184 [0,1,0,0,1,0|1,1,0]=4 2939 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2nc3ncccc3[nH]2 a33e6946303906119423b03218be9671 [0,1,0,0,1,0|2,0,0]=4 2940 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2nc3ncccc3o2 cc115e8d61e7afba504935c36477a8af [0,1,0,0,1,0|1,1,0]=4 2941 B19R3.171030 C[C@H]1CCCC[C@H]1Nc2nc3nccnc3s2 1ad0969816729497da71e0d9071ab77d [0,1,0,0,1,0|2,0,0]=4 2942 B19R3.171030 C[C@H]1COCC[C@H]1Nc2cc3ccccc3s2 bd473c10ac741051b04d94dbc3e2e01b [0,1,0,0,1,0|2,0,0]=4 2943 B19R3.171030 C[C@H]1COCC[C@H]1Nc2nc3ccccc3o2 61d6e237e875ee10eb16a70baa294564 [0,1,0,0,1,0|1,1,0]=4 2944 B19R3.171030 FC1CCCCC1Nc2cc3ccccc3s2 61b88e58a2ff0bb0c43f8667937e2f25 [0,1,0,0,1,0|1,0,0]=3 2945 B19R3.171030 FC1CCCCC1Nc2cc3ccccn3n2 e688b8cb6b0ecf8615cb7f4757890996 [0,1,0,0,1,0|2,0,0]=4 2946 B19R3.171030 FC1CCCCC1Nc2cn3ccccc3n2 0e44a7ccd557728b63d4ea27a258de96 [0,1,0,0,1,0|2,0,0]=4 2947 B19R3.171030 FC1CCCCC1Nc2nc3ccccc3[nH]2 d6b48c79de06ef2858679befac2ac783 [0,1,0,0,1,0|1,0,0]=3 2948 B19R3.171030 FC1CCCCC1Nc2nc3ccccc3o2 7613aab80378002abfca26ea6da943f7 [0,1,0,0,1,0|0,1,0]=3 2949 B19R3.171030 FC1CCCCC1Nc2nc3ccccc3s2 9e140e7081b4bcd287aea3662c95ac35 [0,1,0,0,1,0|0,0,0]=2 2950 B19R3.171030 FC1CCCCC1Nc2nc3ccccn3n2 9117f0ae592364a7edfc74520f803b16 [0,1,0,0,1,0|2,0,0]=4 2951 B19R3.171030 FC1CCCCC1Nc2nc3cccnc3o2 fd0ee832b9074310b917fc5fb4ec1bf8 [0,1,0,0,1,0|1,1,0]=4 2952 B19R3.171030 FC1CCCCC1Nc2nc3cccnc3s2 16e0c029c60f381c2d43381c8f1ab0c1 [0,1,0,0,1,0|1,0,0]=3 2953 B19R3.171030 FC1CCCCC1Nc2nc3ccncc3o2 ecd4ffb6791101c38bb8c85dabaca91e [0,1,0,0,1,0|1,1,0]=4 2954 B19R3.171030 FC1CCCCC1Nc2nc3ccncc3s2 49501617749db2d204f093c5d8f7ffef [0,1,0,0,1,0|1,0,0]=3 2955 B19R3.171030 FC1CCCCC1Nc2nc3cnccc3[nH]2 a9ab67d17bcc02949813a480a6e7951b [0,1,0,0,1,0|2,0,0]=4 2956 B19R3.171030 FC1CCCCC1Nc2nc3cnccc3o2 0960eb9411ebcac89cf0789c55f00090 [0,1,0,0,1,0|1,1,0]=4 2957 B19R3.171030 FC1CCCCC1Nc2nc3cnccc3s2 10a1124a0a433cb10359dde462a46515 [0,1,0,0,1,0|1,0,0]=3 2958 B19R3.171030 FC1CCCCC1Nc2nc3cncnc3s2 da09fd959e68d9f79a018e1f26cbc534 [0,1,0,0,1,0|2,0,0]=4 2959 B19R3.171030 FC1CCCCC1Nc2nc3ncccc3[nH]2 32d1bacf9364e053881d748c705dcfcb [0,1,0,0,1,0|2,0,0]=4 2960 B19R3.171030 FC1CCCCC1Nc2nc3ncccc3o2 7267bba7b75c3a1323bdbe85292ab534 [0,1,0,0,1,0|1,1,0]=4 2961 B19R3.171030 FC1CCCCC1Nc2nc3ncccc3s2 97849bfcd7ba3e90cc5b74e367b5d76b [0,1,0,0,1,0|1,0,0]=3 2962 B19R3.171030 FC1CCCCC1Nc2nc3nccnc3s2 1c2dba2b3ae3b62ff96f5cee01205a69 [0,1,0,0,1,0|2,0,0]=4 2963 B19R3.171030 FC1CCCCC1Oc2cc3ccccc3s2 52d4dabc765f5b5951bef4a96b3b43f0 [0,1,0,0,1,0|1,1,0]=4 2964 B19R3.171030 FC1CCCCC1Oc2nc3ccccc3[nH]2 6838003213e8c50901ed4ab8286de3ec [0,1,0,0,1,0|1,1,0]=4 2965 B19R3.171030 FC1CCCCC1Oc2nc3ccccc3s2 0f26562ebc6b2fc2b0ad39346c6a4bf6 [0,1,0,0,1,0|0,1,0]=3 2966 B19R3.171030 F[C@@H]1COCC[C@H]1Nc2nc3ccccc3o2 8a8f39369b21c895b49324bdb5907842 [0,1,0,0,1,0|1,1,0]=4 2967 B19R3.171030 F[C@@H]1COCC[C@H]1Nc2nc3cccnc3s2 52d13f52a289488c547f9b5d27923862 [0,1,0,0,1,0|2,0,0]=4 2968 B19R3.171030 F[C@@H]1COCC[C@H]1Nc2nc3ccncc3s2 685e05850d432b8c7bfb49ad8b9d3cbc [0,1,0,0,1,0|2,0,0]=4 2969 B19R3.171030 F[C@@H]1COCC[C@H]1Nc2nc3ncccc3s2 c7ec18bc50a7f9b238aff2e058b38f5f [0,1,0,0,1,0|2,0,0]=4 2970 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccccc3o2 ac672b09290c3b13477738c5b5d03f99 [0,1,0,0,1,0|1,1,0]=4 2971 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3cccnc3s2 457190806721a191a7195829ebd8a4e6 [0,1,0,0,1,0|2,0,0]=4 2972 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccncc3s2 1fd3970388d069c91b6b0cc17f9e1773 [0,1,0,0,1,0|2,0,0]=4 2973 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ncccc3s2 4cbdc86d5caadac06fe0e336b960f278 [0,1,0,0,1,0|2,0,0]=4 2974 B19R3.171030 O=C1CCCCC1Nc2nc3ccccc3[nH]2 c660445f1f73b612605be96c75f1c73e [0,1,0,0,1,0|1,0,1]=4 2975 B19R3.171030 O=C1CCCCC1Nc2nc3ccccc3o2 27d7eab41c4645503bf256d55eca9cf4 [0,1,0,0,1,0|0,1,1]=4 2976 B19R3.171030 O=C1CCCCC1Nc2nc3ccccc3s2 483c45df2f238c940490c8011e2bae3e [0,1,0,0,1,0|0,0,1]=3 2977 B19R3.171030 O=C1CCCCC1Nc2nc3cccnc3s2 4672256a15a9131b77a50d88ce132008 [0,1,0,0,1,0|1,0,1]=4 2978 B19R3.171030 O=C1CCCCC1Nc2nc3cnccc3s2 0f52f10c0f72eefddedb61cf43ab288e [0,1,0,0,1,0|1,0,1]=4 2979 B19R3.171030 O=C1CCCCC1Nc2nc3ncccc3s2 3c1ad33ea5d7505c280cc00ffeb06f7a [0,1,0,0,1,0|1,0,1]=4 2980 B19R3.171030 O=C1CCCSC1Nc2nc3ccccc3s2 d6deb88205fb3603eb7c3953085a729f [0,1,0,0,1,0|1,0,1]=4 2981 B19R3.171030 O=C1CCOCC1Nc2nc3ccccc3s2 a9d13b34bc2e8130aaafe047e65f843d [0,1,0,0,1,0|1,0,1]=4 2982 B19R3.171030 O=C1NCCCC1Nc2nc3ccccc3s2 934fc78be935823f34fe33cb54688ece [0,1,0,0,1,0|1,0,1]=4 2983 B19R3.171030 OC1CCCCC1Nc2cc3ccccc3o2 bb470ee31281fe45ab3779f5ca451fa1 [0,1,0,0,1,0|1,1,0]=4 2984 B19R3.171030 OC1CCCCC1Nc2cc3ccccc3s2 e9cd7b9c4e9e0618f849b22e18a392f7 [0,1,0,0,1,0|1,0,0]=3 2985 B19R3.171030 OC1CCCCC1Nc2cc3ccccn3n2 a2d0081e4304fc078bcdebfd35b5d466 [0,1,0,0,1,0|2,0,0]=4 2986 B19R3.171030 OC1CCCCC1Nc2cn3ccccc3n2 48b6a05a54dc0c7f7c0fb0bc35d4b5c4 [0,1,0,0,1,0|2,0,0]=4 2987 B19R3.171030 OC1CCCCC1Nc2nc3ccccc3[nH]2 75908f6f8e137b2059155c2e1ef607f8 [0,1,0,0,1,0|1,0,0]=3 2988 B19R3.171030 OC1CCCCC1Nc2nc3ccccc3o2 c0eeb9a15ec54e7a0e52edf61d0a1f4b [0,1,0,0,1,0|0,1,0]=3 2989 B19R3.171030 OC1CCCCC1Nc2nc3ccccc3s2 fc7419f60c37f99981f1bf73c91b62b8 [0,1,0,0,1,0|0,0,0]=2 2990 B19R3.171030 OC1CCCCC1Nc2nc3ccccn3n2 b307cd60dfef6175e9c7bd6bc3cdd3a3 [0,1,0,0,1,0|2,0,0]=4 2991 B19R3.171030 OC1CCCCC1Nc2nc3cccnc3o2 50cd8339e34e95cd3e9545211b9a29c1 [0,1,0,0,1,0|1,1,0]=4 2992 B19R3.171030 OC1CCCCC1Nc2nc3cccnc3s2 37744cfdfb685235521d80c6b7984481 [0,1,0,0,1,0|1,0,0]=3 2993 B19R3.171030 OC1CCCCC1Nc2nc3ccncc3o2 b655a1398ffe223e919b072b3bb00cd0 [0,1,0,0,1,0|1,1,0]=4 2994 B19R3.171030 OC1CCCCC1Nc2nc3ccncc3s2 5c0e56030a932426f38da67e8c0402e0 [0,1,0,0,1,0|1,0,0]=3 2995 B19R3.171030 OC1CCCCC1Nc2nc3cnccc3[nH]2 7a2c7b6473c4661ecf38e4340f91ffdb [0,1,0,0,1,0|2,0,0]=4 2996 B19R3.171030 OC1CCCCC1Nc2nc3cnccc3o2 078bb60d54f563b3ee04c0c6a9f1df01 [0,1,0,0,1,0|1,1,0]=4 2997 B19R3.171030 OC1CCCCC1Nc2nc3cnccc3s2 7aeba6674036a46445fdb7ec9f8de394 [0,1,0,0,1,0|1,0,0]=3 2998 B19R3.171030 OC1CCCCC1Nc2nc3ncccc3[nH]2 da8315ebfead803bd0986c574aa9541f [0,1,0,0,1,0|2,0,0]=4 2999 B19R3.171030 OC1CCCCC1Nc2nc3ncccc3o2 ddd872ca8d13822e62f3689d907d47de [0,1,0,0,1,0|1,1,0]=4 3000 B19R3.171030 OC1CCCCC1Nc2nc3ncccc3s2 d3016202673d7e6fe677aaff517ebba6 [0,1,0,0,1,0|1,0,0]=3 3001 B19R3.171030 OC1CCCCC1Nc2nc3nccnc3s2 6bc1898ef836cf1cc4b72091e7318377 [0,1,0,0,1,0|2,0,0]=4 3002 B19R3.171030 OC1COCCC1Nc2cc3ccccc3s2 8538a679e5857ea3dbef99d34bf33473 [0,1,0,0,1,0|2,0,0]=4 3003 B19R3.171030 OC1COCCC1Nc2nc3ccccc3o2 9f7714bccbf2895e91d7a758fc4b22de [0,1,0,0,1,0|1,1,0]=4 3004 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2cc3ccccc3o2 1ffb5b66902a69e10705a19ec6daef24 [0,1,0,0,1,0|1,1,0]=4 3005 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2cc3ccccc3s2 6a59e4723287519deaf584db7121b910 [0,1,0,0,1,0|1,0,0]=3 3006 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2cc3ccccn3n2 7a50d202318bbd24322887a204a771c8 [0,1,0,0,1,0|2,0,0]=4 3007 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2cn3ccccc3n2 f12392f8e67e70b62ab3d25ec23a7b77 [0,1,0,0,1,0|2,0,0]=4 3008 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2nc3ccccc3o2 fdc9a89833eaf9bde1d67d5711d1bcaa [0,1,0,0,1,0|0,1,0]=3 3009 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2nc3ccccn3n2 bf8dd43ac89565d00a05de9cfdc8002e [0,1,0,0,1,0|2,0,0]=4 3010 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2nc3cccnc3o2 ea01d7817b4b403d5f0605059cf98af1 [0,1,0,0,1,0|1,1,0]=4 3011 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2nc3ncccc3[nH]2 c8e78f791c5e144889715ce5eb157649 [0,1,0,0,1,0|2,0,0]=4 3012 B19R3.171030 O[C@@H]1CCCC[C@@H]1Nc2nc3ncccc3o2 5f03d75839330f53741c3c29762f12c9 [0,1,0,0,1,0|1,1,0]=4 3013 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2cc3ccccc3o2 423b75f6a4e2905aff77f194b3eb8df2 [0,1,0,0,1,0|1,1,0]=4 3014 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2cc3ccccc3s2 f3888355aa9c5c16764d7199893e70d1 [0,1,0,0,1,0|1,0,0]=3 3015 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2cc3ccccn3n2 a95711c278359639c52f1e54873f2a98 [0,1,0,0,1,0|2,0,0]=4 3016 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2cn3ccccc3n2 954394b0774a57468ebfc61081fbdc15 [0,1,0,0,1,0|2,0,0]=4 3017 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2nc3ccccc3o2 346780b7c42b4393e6bc1534785c242a [0,1,0,0,1,0|0,1,0]=3 3018 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2nc3ccccn3n2 51a8ce59f11cf4324521e4304197887b [0,1,0,0,1,0|2,0,0]=4 3019 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2nc3cccnc3o2 c52412cfe4ee063711b0a1d45508a419 [0,1,0,0,1,0|1,1,0]=4 3020 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2nc3ncccc3[nH]2 ce2d9fc9450c8724c833e6c1a29c090f [0,1,0,0,1,0|2,0,0]=4 3021 B19R3.171030 O[C@@H]1CCCC[C@H]1Nc2nc3ncccc3o2 f50a9ca775445bfd19b040fee9de6727 [0,1,0,0,1,0|1,1,0]=4 3022 B19R3.171030 O[C@@H]1CCOC[C@@H]1Nc2cc3ccccc3s2 4b2699187e101aa040c42c78ccba8e14 [0,1,0,0,1,0|2,0,0]=4 3023 B19R3.171030 O[C@@H]1CCOC[C@@H]1Nc2nc3ccccc3[nH]2 4ee41a809e79123a24952c7d3ceff7e2 [0,1,0,0,1,0|2,0,0]=4 3024 B19R3.171030 O[C@@H]1CCOC[C@@H]1Nc2nc3ccccc3o2 64d15022936378a8b3aa2e55ad2a6d46 [0,1,0,0,1,0|1,1,0]=4 3025 B19R3.171030 O[C@@H]1CCOC[C@H]1Nc2cc3ccccc3s2 34c29ee762de2ca95298fa4d27eec2a1 [0,1,0,0,1,0|2,0,0]=4 3026 B19R3.171030 O[C@@H]1CCOC[C@H]1Nc2nc3ccccc3[nH]2 ea8eb52a7588d7cae7c24966e6cc2830 [0,1,0,0,1,0|2,0,0]=4 3027 B19R3.171030 O[C@@H]1CCOC[C@H]1Nc2nc3ccccc3o2 4e60c3300f0cd2f88f6a62651aa4b9f0 [0,1,0,0,1,0|1,1,0]=4 3028 B19R3.171030 O[C@@H]1COCC[C@@H]1Nc2cc3ccccc3s2 4bb0d5f1bfc48f605d814d2ee0d964ae [0,1,0,0,1,0|2,0,0]=4 3029 B19R3.171030 O[C@@H]1COCC[C@@H]1Nc2nc3ccccc3o2 214bdb17e002d64b06a2e49990da28b1 [0,1,0,0,1,0|1,1,0]=4 3030 B19R3.171030 O[C@@H]1COCC[C@H]1Nc2cc3ccccc3s2 77f24664bdb6d1f44de7759e14a7fef7 [0,1,0,0,1,0|2,0,0]=4 3031 B19R3.171030 O[C@@H]1COCC[C@H]1Nc2nc3ccccc3o2 1e3553bd96e0f84d271d30a116f5b44e [0,1,0,0,1,0|1,1,0]=4 3032 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2cc3ccccc3o2 055c2f4af1923c37b1951df595bdb12b [0,1,0,0,1,0|1,1,0]=4 3033 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2cc3ccccc3s2 6744c82c8217543a1fc34fc8de1bc591 [0,1,0,0,1,0|1,0,0]=3 3034 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2cc3ccccn3n2 6a742704251010b2b79e26f577ba859b [0,1,0,0,1,0|2,0,0]=4 3035 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2cn3ccccc3n2 630869cfe82baf2089bcaae6ba9a1447 [0,1,0,0,1,0|2,0,0]=4 3036 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccccc3[nH]2 f2a3c25528531e9616b5d67a123a884a [0,1,0,0,1,0|1,0,0]=3 3037 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccccc3o2 088b413fa5a527b821249450490703f5 [0,1,0,0,1,0|0,1,0]=3 3038 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccccc3s2 770254e0bbe921da105488daa169de3a [0,1,0,0,1,0|0,0,0]=2 3039 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccccn3n2 2ebd2f34570b4c95f79d82408f4abed1 [0,1,0,0,1,0|2,0,0]=4 3040 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3cccnc3o2 8d15246a495790f3c6dfdf82055de38f [0,1,0,0,1,0|1,1,0]=4 3041 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3cccnc3s2 4705ad2d784007804a300315130422e1 [0,1,0,0,1,0|1,0,0]=3 3042 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccncc3o2 01f4a959218623e69ec7ffbc92c51dc0 [0,1,0,0,1,0|1,1,0]=4 3043 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ccncc3s2 cb7e77c80ce289da7f9bac3e4b456abd [0,1,0,0,1,0|1,0,0]=3 3044 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3cnccc3[nH]2 d0bc0e6df20d9173cba5be994fb17077 [0,1,0,0,1,0|2,0,0]=4 3045 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3cnccc3o2 76590ee5d199baa1657cde3ad648c81d [0,1,0,0,1,0|1,1,0]=4 3046 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3cnccc3s2 9bc620f38b82ce169273fcc7ae5be966 [0,1,0,0,1,0|1,0,0]=3 3047 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ncccc3[nH]2 c7f2a5d3dae9d3f656129328a576a5ec [0,1,0,0,1,0|2,0,0]=4 3048 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ncccc3o2 9bc7706f853be085e6866f74e3f93c5b [0,1,0,0,1,0|1,1,0]=4 3049 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3ncccc3s2 2aa95266e98553d95a49df9c2140f010 [0,1,0,0,1,0|1,0,0]=3 3050 B19R3.171030 O[C@H]1CCCC[C@@H]1Nc2nc3nccnc3s2 1f3294ca6a167f9edbb32c871263d85f [0,1,0,0,1,0|2,0,0]=4 3051 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2cc3ccccc3s2 e2adb01b1c4fe945dcd7cc60ef92415b [0,1,0,0,1,0|2,0,0]=4 3052 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2nc3ccccc3[nH]2 4de2028fcf814ded126b8a7c00e1595f [0,1,0,0,1,0|2,0,0]=4 3053 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2nc3ccccc3o2 fb8f9594a63ed4395c092369de3124a0 [0,1,0,0,1,0|1,1,0]=4 3054 B19R3.171030 O[C@H]1CCOC[C@H]1Nc2cc3ccccc3s2 a95d97e91c55001ac81e81489ac59887 [0,1,0,0,1,0|2,0,0]=4 3055 B19R3.171030 O[C@H]1CCOC[C@H]1Nc2nc3ccccc3[nH]2 82118398f967a8ed1c1b556940f398f2 [0,1,0,0,1,0|2,0,0]=4 3056 B19R3.171030 O[C@H]1CCOC[C@H]1Nc2nc3ccccc3o2 262746b58f174b9220cac589e1f61782 [0,1,0,0,1,0|1,1,0]=4 3057 B19R3.171030 O[C@H]1COCC[C@@H]1Nc2cc3ccccc3s2 cd624ae1e84de7233f00c3c05e7bd127 [0,1,0,0,1,0|2,0,0]=4 3058 B19R3.171030 O[C@H]1COCC[C@@H]1Nc2nc3ccccc3o2 a652a80ce9edc442e707db454bdb22af [0,1,0,0,1,0|1,1,0]=4 3059 B19R3.171030 O[C@H]1COCC[C@H]1Nc2cc3ccccc3s2 ffba4c3fca25eb8738c2b35f0ac6f4ad [0,1,0,0,1,0|2,0,0]=4 3060 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3ccccc3o2 d6e7c3caa2dff8249c2f7c8db31c3872 [0,1,0,0,1,0|1,1,0]=4 3061 B19R3.241821 CC1CCC(CC1)Nc2cc3ccccc3o2 70c524ca5c733be20c5345bc4a7376ff [0,1,0,0,1,0|1,1,0]=4 3062 B19R3.241821 CC1CCC(CC1)Nc2cc3ccccc3s2 d02384e6778f1acf889befea67cabb51 [0,1,0,0,1,0|1,0,0]=3 3063 B19R3.241821 CC1CCC(CC1)Nc2cc3ccccn3n2 300f93daa634559068b75f93693e97eb [0,1,0,0,1,0|2,0,0]=4 3064 B19R3.241821 CC1CCC(CC1)Nc2cn3ccccc3n2 71a9cedc073a73657a9ffdd7c36ca602 [0,1,0,0,1,0|2,0,0]=4 3065 B19R3.241821 CC1CCC(CC1)Nc2nc3ccccc3[nH]2 502885db2e44dab51a4e60deda68a04e [0,1,0,0,1,0|1,0,0]=3 3066 B19R3.241821 CC1CCC(CC1)Nc2nc3ccccc3o2 89e4a92d74c5b260f34e6519f5c0d5e4 [0,1,0,0,1,0|0,1,0]=3 3067 B19R3.241821 CC1CCC(CC1)Nc2nc3ccccn3n2 e235189dcdf3b1eaf7396bdbd7e1c81c [0,1,0,0,1,0|2,0,0]=4 3068 B19R3.241821 CC1CCC(CC1)Nc2nc3cccnc3o2 47e276d30a33477b93f6990d8cb20151 [0,1,0,0,1,0|1,1,0]=4 3069 B19R3.241821 CC1CCC(CC1)Nc2nc3ccncc3o2 3975803058d6a84d22949585bbd59c01 [0,1,0,0,1,0|1,1,0]=4 3070 B19R3.241821 CC1CCC(CC1)Nc2nc3cnccc3[nH]2 6960cc4c134cefea10fdaed691147015 [0,1,0,0,1,0|2,0,0]=4 3071 B19R3.241821 CC1CCC(CC1)Nc2nc3cnccc3o2 68e249048dbd5c8f58fa16a3d849e592 [0,1,0,0,1,0|1,1,0]=4 3072 B19R3.241821 CC1CCC(CC1)Nc2nc3cnccc3s2 5a2e77f7333653699dac1f48ba095da4 [0,1,0,0,1,0|1,0,0]=3 3073 B19R3.241821 CC1CCC(CC1)Nc2nc3ncccc3[nH]2 262ffd8a7e274214a695a84ac96802be [0,1,0,0,1,0|2,0,0]=4 3074 B19R3.241821 CC1CCC(CC1)Nc2nc3ncccc3o2 2e9cd911a970ee7c4f667b5d697b2ef8 [0,1,0,0,1,0|1,1,0]=4 3075 B19R3.241821 CC1CCC(CC1)Nc2nc3nccnc3s2 f7579b4e5b16ba6847c3f20867aad214 [0,1,0,0,1,0|2,0,0]=4 3076 B19R3.241821 CC1CCC(CC1)Oc2nc3ccccc3[nH]2 8d79365cb9fca77a6f5dce741d9e904c [0,1,0,0,1,0|1,1,0]=4 3077 B19R3.241821 CC1CCC(CC1)Oc2nc3ccccc3s2 3fe3290821a3b5fb7438af850907be7c [0,1,0,0,1,0|0,1,0]=3 3078 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 bee4cfaf928ddd72716c8077f499b742 [0,1,0,0,1,0|2,0,0]=4 3079 B19R3.241821 CN1CCC(CC1)Nc2cc3ccccc3s2 f7db82ac4276a467962b5219e1e1b4a1 [0,1,0,0,1,0|2,0,0]=4 3080 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3[nH]2 5fac417c40598271eaf18c253218df25 [0,1,0,0,1,0|2,0,0]=4 3081 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3o2 526b54fc2b3f6f2db67197924028f91e [0,1,0,0,1,0|1,1,0]=4 3082 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3s2 a0b6f530385b523b879ac0f409e8fc1f [0,1,0,0,1,0|1,0,0]=3 3083 B19R3.241821 CN1CCC(CC1)Nc2nc3cccnc3s2 60a49a69941276448f7ee39e8082e0ae [0,1,0,0,1,0|2,0,0]=4 3084 B19R3.241821 CN1CCC(CC1)Nc2nc3ccncc3s2 d9d8a3b3d6d526f054b7d4142dfc8ea7 [0,1,0,0,1,0|2,0,0]=4 3085 B19R3.241821 CN1CCC(CC1)Nc2nc3cnccc3s2 6df2627676da6751caef3a37c72cca8c [0,1,0,0,1,0|2,0,0]=4 3086 B19R3.241821 CN1CCC(CC1)Oc2nc3ccccc3s2 2eb305f3b6561c03bf17cc290cc9b6b5 [0,1,0,0,1,0|1,1,0]=4 3087 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3o2 f14dade5d35c04c301971632ba5b1608 [0,1,0,0,1,0|1,1,0]=4 3088 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3s2 9de7004ea21f3537b709da72847f0b4c [0,1,0,0,1,0|1,0,0]=3 3089 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2cc3ccccn3n2 8a0b6298c5db093b3d9535e78cb42daa [0,1,0,0,1,0|2,0,0]=4 3090 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2cn3ccccc3n2 4bae9177a2c64c0aebdb28c8a0fc2843 [0,1,0,0,1,0|2,0,0]=4 3091 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3o2 3abc77a466bb5b4ae1d3b08e17aeee05 [0,1,0,0,1,0|0,1,0]=3 3092 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ccccn3n2 af438b411e6bfb0a1c2aab3d84aaa00e [0,1,0,0,1,0|2,0,0]=4 3093 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3cccnc3o2 cedb0b33b548792ccfc5fbb3ded65408 [0,1,0,0,1,0|1,1,0]=4 3094 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ncccc3[nH]2 2618d0f29fac6d45cc60315e5d9c87fe [0,1,0,0,1,0|2,0,0]=4 3095 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ncccc3o2 da0eb75d24d2b8ce3b1fb1c6a45024ac [0,1,0,0,1,0|1,1,0]=4 3096 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3nccnc3s2 45b083e7aac85b0f1c8a639152f69f5e [0,1,0,0,1,0|2,0,0]=4 3097 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2cc3ccccc3o2 ff85b9b7b2ce8e6ed18035666a453260 [0,1,0,0,1,0|1,1,0]=4 3098 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2cc3ccccc3s2 f40b48a5186fdb8fdd8dd2700a5fc7ca [0,1,0,0,1,0|1,0,0]=3 3099 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2cc3ccccn3n2 7a7dd193c7bd8c1c319a965f594723c9 [0,1,0,0,1,0|2,0,0]=4 3100 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2cn3ccccc3n2 4429541db65cd1d594090c6fa4619068 [0,1,0,0,1,0|2,0,0]=4 3101 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3ccccc3o2 f6652405a1f4c31d68ed8bc1dcdbab00 [0,1,0,0,1,0|0,1,0]=3 3102 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3ccccn3n2 dd61b9a35e0ce1dff698f0bbac08449f [0,1,0,0,1,0|2,0,0]=4 3103 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3cccnc3o2 385a5fe3c3abc176ac7a0ae9bdaebbd0 [0,1,0,0,1,0|1,1,0]=4 3104 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3ncccc3[nH]2 40e66c12330340210f9b37fde7a89d7c [0,1,0,0,1,0|2,0,0]=4 3105 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3ncccc3o2 d8ef5049fc54b983e76b958237da1fbb [0,1,0,0,1,0|1,1,0]=4 3106 B19R3.241821 C[C@H]1CC[C@H](CC1)Nc2nc3nccnc3s2 b1de1a09d58901a81d1ce8c926356160 [0,1,0,0,1,0|2,0,0]=4 3107 B19R3.241821 ClC1CCC(CC1)Nc2cc3ccccc3o2 5fab0c464d6bf39b8632d453b5f272ed [0,1,0,0,1,0|1,1,0]=4 3108 B19R3.241821 ClC1CCC(CC1)Nc2cc3ccccc3s2 9b620c8fd77d19a7706859d276f7535c [0,1,0,0,1,0|1,0,0]=3 3109 B19R3.241821 ClC1CCC(CC1)Nc2cc3ccccn3n2 3a5e4dc535ee40feec802eeaf6c5ac45 [0,1,0,0,1,0|2,0,0]=4 3110 B19R3.241821 ClC1CCC(CC1)Nc2cc3cccnc3s2 82e170d85ee4657665d5b278aef7bf22 [0,1,0,0,1,0|2,0,0]=4 3111 B19R3.241821 ClC1CCC(CC1)Nc2cc3cnccc3s2 4a2c1d58390edd2e2d44685c3e0b2c9a [0,1,0,0,1,0|2,0,0]=4 3112 B19R3.241821 ClC1CCC(CC1)Nc2cn3ccccc3n2 4329bfc507e25de700c6d0713f7e05a2 [0,1,0,0,1,0|2,0,0]=4 3113 B19R3.241821 ClC1CCC(CC1)Nc2nc3ccccc3o2 5d56639b90a79de128568f17a33ea9af [0,1,0,0,1,0|0,1,0]=3 3114 B19R3.241821 ClC1CCC(CC1)Nc2nc3ccccn3n2 b4ff06005fa10b02de4492eb0cac0d5b [0,1,0,0,1,0|2,0,0]=4 3115 B19R3.241821 ClC1CCC(CC1)Nc2nc3cccnc3o2 99e0c3e4732f09e8a8f70663b0769a0d [0,1,0,0,1,0|1,1,0]=4 3116 B19R3.241821 ClC1CCC(CC1)Nc2nc3ncccc3o2 160c46d8464dadbed53b5fa9d1e84d19 [0,1,0,0,1,0|1,1,0]=4 3117 B19R3.241821 ClC1CCN(CC1)Cc2nc3ccccc3s2 bf914ab20cf4aa28a47f7ba01949ec98 [0,1,0,0,1,0|2,0,0]=4 3118 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3o2 241f64a0b093a8594b2509c6e9696f49 [0,1,0,0,1,0|1,1,0]=4 3119 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3s2 66887295e4b72cd4fca3e66d7ddbc73c [0,1,0,0,1,0|1,0,0]=3 3120 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cc3ccccn3n2 8a347cd9e29e6055de9a88a4e133a036 [0,1,0,0,1,0|2,0,0]=4 3121 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cc3cccnc3s2 41a089d61858aae6f472f1004c95b0c9 [0,1,0,0,1,0|2,0,0]=4 3122 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cc3cnccc3s2 3f1f1a62f37342c7372830c3c794b008 [0,1,0,0,1,0|2,0,0]=4 3123 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2cn3ccccc3n2 4db4164a395d5199b3357f23ea732918 [0,1,0,0,1,0|2,0,0]=4 3124 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3o2 0e961e9e4ba475fdff4d44c225ee3529 [0,1,0,0,1,0|0,1,0]=3 3125 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2nc3ccccn3n2 e096165aea20e789de5e3bb8af01b3f4 [0,1,0,0,1,0|2,0,0]=4 3126 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2nc3cccnc3o2 339ce30158bb1d25bef685266ab968af [0,1,0,0,1,0|1,1,0]=4 3127 B19R3.241821 Cl[C@H]1CC[C@@H](CC1)Nc2nc3ncccc3o2 f42ae993a56bc918774d5836a2d5b7bb [0,1,0,0,1,0|1,1,0]=4 3128 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cc3ccccc3o2 cf14433f31cf3f4d212006837f7f8a20 [0,1,0,0,1,0|1,1,0]=4 3129 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cc3ccccc3s2 90d4e3578519dbb16d5d9091c6e0ae0e [0,1,0,0,1,0|1,0,0]=3 3130 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cc3ccccn3n2 dcc3adc0118fd353aef63683401d54ef [0,1,0,0,1,0|2,0,0]=4 3131 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cc3cccnc3s2 82b68b6607ac3238729e195d1599314e [0,1,0,0,1,0|2,0,0]=4 3132 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cc3cnccc3s2 569e3a9b509b6e0b381b5d1098a35113 [0,1,0,0,1,0|2,0,0]=4 3133 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2cn3ccccc3n2 49b93a8743cda96247c9a69bd5141893 [0,1,0,0,1,0|2,0,0]=4 3134 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2nc3ccccc3o2 3e0bedb0cab540064942de0c05546866 [0,1,0,0,1,0|0,1,0]=3 3135 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2nc3ccccn3n2 bdf91b65cdc7856acc578e092f822a4a [0,1,0,0,1,0|2,0,0]=4 3136 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2nc3cccnc3o2 7eed0407b793b1d17cdcb5c0a73e2288 [0,1,0,0,1,0|1,1,0]=4 3137 B19R3.241821 Cl[C@H]1CC[C@H](CC1)Nc2nc3ncccc3o2 09383859b622989e5596db3053dad497 [0,1,0,0,1,0|1,1,0]=4 3138 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 42e5b0f4ff1b49cacdc024cc2030b071 [0,1,0,0,1,0|2,0,0]=4 3139 B19R3.241821 IC1CCN(CC1)Cc2nc3ccccc3s2 cbd740dad3c33c7c5407242d2aef89db [0,1,0,0,1,0|2,0,0]=4 3140 B19R3.241821 O=C1CCC(CC1)Nc2nc3ccccc3[nH]2 39feca7fa7c9fe7b3f8e045f7bfbb3c6 [0,1,0,0,1,0|1,0,1]=4 3141 B19R3.241821 O=C1CCC(CC1)Nc2nc3ccccc3o2 80359fac4a684478adc6334e645c0078 [0,1,0,0,1,0|0,1,1]=4 3142 B19R3.241821 O=C1CCC(CC1)Nc2nc3cnccc3s2 ba2105cf471b5cb2331bf6db8b04f3bb [0,1,0,0,1,0|1,0,1]=4 3143 B19R3.241821 OC1CCC(CC1)Nc2cc3ccccc3o2 f6744e61d1eb73d7d8c2b82319e19471 [0,1,0,0,1,0|1,1,0]=4 3144 B19R3.241821 OC1CCC(CC1)Nc2cc3ccccc3s2 0692d1043ef34f3eba41486824e706a9 [0,1,0,0,1,0|1,0,0]=3 3145 B19R3.241821 OC1CCC(CC1)Nc2cc3ccccn3n2 53423b2584170852215bd303c2131594 [0,1,0,0,1,0|2,0,0]=4 3146 B19R3.241821 OC1CCC(CC1)Nc2cn3ccccc3n2 51dbe0fcc007ce1e17940b6dd9853f4d [0,1,0,0,1,0|2,0,0]=4 3147 B19R3.241821 OC1CCC(CC1)Nc2nc3ccccc3[nH]2 e0f2523cc4044c3ea1318338e73e86a4 [0,1,0,0,1,0|1,0,0]=3 3148 B19R3.241821 OC1CCC(CC1)Nc2nc3ccccc3o2 9b939180ccb3c264d64853f0ca1ef1f3 [0,1,0,0,1,0|0,1,0]=3 3149 B19R3.241821 OC1CCC(CC1)Nc2nc3ccccn3n2 6c1496ad4a26711d1ff371e057137fa2 [0,1,0,0,1,0|2,0,0]=4 3150 B19R3.241821 OC1CCC(CC1)Nc2nc3cccnc3o2 838cd72fec5e541cf59c5957623b4d14 [0,1,0,0,1,0|1,1,0]=4 3151 B19R3.241821 OC1CCC(CC1)Nc2nc3ccncc3o2 4f3102df3d1e116dd356dd22f5655756 [0,1,0,0,1,0|1,1,0]=4 3152 B19R3.241821 OC1CCC(CC1)Nc2nc3cnccc3[nH]2 4b0526dff3977c5f19f86a32dffb10fc [0,1,0,0,1,0|2,0,0]=4 3153 B19R3.241821 OC1CCC(CC1)Nc2nc3cnccc3o2 0c3b892be890a51217e056a746edadb2 [0,1,0,0,1,0|1,1,0]=4 3154 B19R3.241821 OC1CCC(CC1)Nc2nc3cnccc3s2 9ab7ee6e1f892a4b847d448314a5078f [0,1,0,0,1,0|1,0,0]=3 3155 B19R3.241821 OC1CCC(CC1)Nc2nc3ncccc3[nH]2 5105bc64021445b2500451a343d072b3 [0,1,0,0,1,0|2,0,0]=4 3156 B19R3.241821 OC1CCC(CC1)Nc2nc3ncccc3o2 cbff4190aa9cd4e1ecb1db5e23d0781c [0,1,0,0,1,0|1,1,0]=4 3157 B19R3.241821 OC1CCC(CC1)Nc2nc3nccnc3s2 e08d5b2846ce402aea62cb8e66debff8 [0,1,0,0,1,0|2,0,0]=4 3158 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 1d153e005441d22032a0f02a7b6a97a8 [0,1,0,0,1,0|2,0,0]=4 3159 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3o2 4d940d85de198600e85f3c173d7c4e55 [0,1,0,0,1,0|1,1,0]=4 3160 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2cc3ccccc3s2 f4526c26e8bf8f8e84b49107b5c0615e [0,1,0,0,1,0|1,0,0]=3 3161 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2cc3ccccn3n2 136730c055395cb21af63baaf87b2feb [0,1,0,0,1,0|2,0,0]=4 3162 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2cn3ccccc3n2 554559a3005e0752c91c2abe3b110f38 [0,1,0,0,1,0|2,0,0]=4 3163 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3o2 ed89b3c8e43a50a67a0c84529088fea1 [0,1,0,0,1,0|0,1,0]=3 3164 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2nc3ccccn3n2 795580cd300c512a88a9def8924fec88 [0,1,0,0,1,0|2,0,0]=4 3165 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2nc3cccnc3o2 2af695798c799dadda961a5362c2f0e9 [0,1,0,0,1,0|1,1,0]=4 3166 B19R3.241821 O[C@H]1CC[C@@H](CC1)Nc2nc3ncccc3o2 811f8d8e1eb05f62a493da27bff9b157 [0,1,0,0,1,0|1,1,0]=4 3167 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2cc3ccccc3o2 18f293352388722b79bd1a1e475e1338 [0,1,0,0,1,0|1,1,0]=4 3168 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2cc3ccccc3s2 ad7b9077e306ed2b567d9466be44f30c [0,1,0,0,1,0|1,0,0]=3 3169 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2cc3ccccn3n2 c6acd40291dd67a68a0ebcf54dec49f7 [0,1,0,0,1,0|2,0,0]=4 3170 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2cn3ccccc3n2 d6cecb83bf69f9334520f29a4b302c0d [0,1,0,0,1,0|2,0,0]=4 3171 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ccccc3o2 dd29007be0de3d0b8cc2086bfd7d8ac4 [0,1,0,0,1,0|0,1,0]=3 3172 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ccccn3n2 4e9d1c7bf81645cd4c8777d6cc9786d0 [0,1,0,0,1,0|2,0,0]=4 3173 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3cccnc3o2 0116ae96da029ca938455d9bdb7a8e7d [0,1,0,0,1,0|1,1,0]=4 3174 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ncccc3o2 9069d7af360b22b27d733556e306d9bf [0,1,0,0,1,0|1,1,0]=4 3175 B19R3.1799922 CN(c1cc2ccccc2o1)C3CCCCC3 fc855489bc64c9b7cad9352dd35eb3d7 [0,1,0,0,1,0|1,1,0]=4 3176 B19R3.1799922 CN(c1cc2ccccc2s1)C3CCOCC3 54cd0439824f93080d5335381d283ae9 [0,1,0,0,1,0|2,0,0]=4 3177 B19R3.1799922 CN(c1cc2ccccn2n1)C3CCCCC3 c7478458a53a23b6a288a8ff3af04ef6 [0,1,0,0,1,0|2,0,0]=4 3178 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCCCC3 a5356835027208cc859f2c7ce7657c31 [0,1,0,0,1,0|1,0,0]=3 3179 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCCCO3 f93b8df892f10e09598f1e4ad0ca09be [0,1,0,0,1,0|2,0,0]=4 3180 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCCOC3 908cc031fda94e34f4063ae0fb1a5426 [0,1,0,0,1,0|2,0,0]=4 3181 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCOCC3 2e482c2be2d12cdc9d3d8870d775b151 [0,1,0,0,1,0|2,0,0]=4 3182 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCSCC3 991f9a03fbec73b340334f536d75b308 [0,1,0,0,1,0|2,0,0]=4 3183 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCCCC3 58e46527873f553c9917209eb5918928 [0,1,0,0,1,0|0,1,0]=3 3184 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCCCO3 8eb8d6ed49e60c790959da703978744f [0,1,0,0,1,0|1,1,0]=4 3185 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCCOC3 068ae2e4c9418eab2d1cb5b4dacbddf2 [0,1,0,0,1,0|1,1,0]=4 3186 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCOCC3 a893608d960fe36d6381d77bbbeefd37 [0,1,0,0,1,0|1,1,0]=4 3187 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCSCC3 9d177d77b1e2b2375d1cd4543308765a [0,1,0,0,1,0|1,1,0]=4 3188 B19R3.1799922 CN(c1nc2ccccc2s1)C3C=CCCC3 468d5207873e18da30c405c0f217dfd2 [0,1,0,0,1,0|0,0,2]=4 3189 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCCCC3 6e7baf3b4c2d2d93ad93d1a0bfd4c7c1 [0,1,0,0,1,0|0,0,0]=2 3190 B19R3.1799922 CN(c1nc2ccccn2n1)C3CCCCC3 a8e468ccb2b9383428a37f3beebc47bd [0,1,0,0,1,0|2,0,0]=4 3191 B19R3.1799922 CN(c1nc2cccnc2o1)C3CCCCC3 a5ade99042fcd32b09f3736ce9945cc4 [0,1,0,0,1,0|1,1,0]=4 3192 B19R3.1799922 CN(c1nc2ncccc2o1)C3CCCCC3 2ed41d0b425314fda1736ee7223bd210 [0,1,0,0,1,0|1,1,0]=4 3193 B19R3.7620222 CC1(CCCCC1)Nc2cc3ccccc3o2 24d9eeedc164a0c721c02175a9ed4408 [0,1,0,0,1,0|1,1,0]=4 3194 B19R3.7620222 CC1(CCCCC1)Nc2cc3ccccn3n2 64502db4c0e85388aa42179b5447c45d [0,1,0,0,1,0|2,0,0]=4 3195 B19R3.7620222 CC1(CCCCC1)Nc2cn3ccccc3n2 e91a2bd2d4e74b945351a79216675f03 [0,1,0,0,1,0|2,0,0]=4 3196 B19R3.7620222 CC1(CCCCC1)Nc2nc3ccccc3o2 f2a42f52dcbdb35afd5c8cecd3bfab2a [0,1,0,0,1,0|0,1,0]=3 3197 B19R3.7620222 CC1(CCCCC1)Nc2nc3ccccn3n2 8bfe993519cd3ec2e96d95b079590bd4 [0,1,0,0,1,0|2,0,0]=4 3198 B19R3.7620222 CC1(CCCCC1)Nc2nc3cccnc3o2 837c5d9f5a06530a974f059b17827229 [0,1,0,0,1,0|1,1,0]=4 3199 B19R3.7620222 CC1(CCCCC1)Nc2nc3ncccc3[nH]2 f392217ec2a74407f490089e46eb2841 [0,1,0,0,1,0|2,0,0]=4 3200 B19R3.7620222 CC1(CCCCC1)Nc2nc3ncccc3o2 354c8dc2b4f66eafdd8b1ea55e9631e2 [0,1,0,0,1,0|1,1,0]=4 3201 B19R3.7620222 CC1(CCCCC1)Nc2nc3nccnc3s2 4096102166752d78096e628929f07ec7 [0,1,0,0,1,0|2,0,0]=4 3202 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3[nH]2 cd99198674509b927e71e25e5d4a9d43 [0,1,0,0,1,0|2,0,0]=4 3203 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3o2 b1e824876241798c90ecb19d316601a0 [0,1,0,0,1,0|1,1,0]=4 3204 B19R3.7620222 CC1(CCOCC1)Nc2nc3ncccc3s2 04854a916f625d5b8cb4592549c628e8 [0,1,0,0,1,0|2,0,0]=4 3205 B21R3.505 Cc1nc2ccccc2cc1CNC3CCCCC3 36a7e8833d5bf7b9679ff5af07d6b3ba [0,1,0,0,0,1|2,0,0]=4 3206 B21R3.24438 CC(NC1CCCCC1)c2cnc3ccccc3c2 3d19d529afc06000841b444ef950d207 [0,1,0,0,0,1|2,0,0]=4 3207 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 174422fa46a22026106ddf632f63e42a [0,1,0,0,0,1|2,0,0]=4 3208 B21R3.24492 CN(Cc1ccc2ccccc2n1)C3CCCCC3 c9263a184550eb094f13caf24e1b8b06 [0,1,0,0,0,1|2,0,0]=4 3209 B21R3.24492 CN(Cc1cnc2ccccc2c1)C3CCCCC3 a22a7aa6394dda744b9bc996e8964d3b [0,1,0,0,0,1|2,0,0]=4 3210 B21R3.24492 CN(Cc1cnc2ccccc2n1)C3CCCCC3 928b36df623bf7dac7eeb4c82c6690b6 [0,1,0,0,0,1|2,0,0]=4 3211 B21R3.24492 CN(Cc1ncc2ccccc2n1)C3CCCCC3 289deec030c575b134e9076452326f08 [0,1,0,0,0,1|2,0,0]=4 3212 B21R3.30927 CC1CCC(CC1)NCc2cc3ccccc3cn2 db289df791931ecd23cc0777a3ec0d0d [0,1,0,0,0,1|2,0,0]=4 3213 B21R3.30927 CC1CCC(CC1)NCc2ccc3ccccc3n2 d31468d4684ba5b09d4004f19b2e4fcd [0,1,0,0,0,1|2,0,0]=4 3214 B21R3.30927 CC1CCC(CC1)NCc2cnc3ccccc3c2 a6a2345577b978ff5523c37ce2eca752 [0,1,0,0,0,1|2,0,0]=4 3215 B21R3.30927 CC1CCC(CC1)NCc2cnc3ccccc3n2 578803ec1dd443f2071397cd9868dc9b [0,1,0,0,0,1|2,0,0]=4 3216 B21R3.30927 CC1CCC(CC1)NCc2ncc3ccccc3n2 1e19b3d7420fb74e78be64d9c70ebc90 [0,1,0,0,0,1|2,0,0]=4 3217 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 c0e4ce811b0afc819ade2bf7f9580201 [0,1,0,0,0,1|2,0,0]=4 3218 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 9d7e0695dea3049531bc795a078b2ce7 [0,1,0,0,0,1|2,0,0]=4 3219 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 43ca6f8554ffea00ce96b568cbbedb86 [0,1,0,0,0,1|2,0,0]=4 3220 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3n2 5ad98cce4c3a66c8493a2e497dd6c84d [0,1,0,0,0,1|2,0,0]=4 3221 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ncc3ccccc3n2 6c9a2627a8daf7e51eb758f7ece257af [0,1,0,0,0,1|2,0,0]=4 3222 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2cc3ccccc3cn2 6a4eb195936c256b675c1a4f09a878e1 [0,1,0,0,0,1|2,0,0]=4 3223 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2ccc3ccccc3n2 7072e972a3b2634191586cf98921c232 [0,1,0,0,0,1|2,0,0]=4 3224 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 65c7d16a43e7404a1c60f4a37fae3b06 [0,1,0,0,0,1|2,0,0]=4 3225 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3n2 55e571272f5d2afa4b86ace7b2037237 [0,1,0,0,0,1|2,0,0]=4 3226 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2ncc3ccccc3n2 66fa6df5c2983114cabe14091529a758 [0,1,0,0,0,1|2,0,0]=4 3227 B21R3.30927 ClC1CCC(CC1)NCc2cc3ccccc3cn2 a3fb9ed1c246d80e3b9f95b4b5935231 [0,1,0,0,0,1|2,0,0]=4 3228 B21R3.30927 ClC1CCC(CC1)NCc2ccc3ccccc3n2 d7761ed090cf6cebb339c3f6a2c0f1e2 [0,1,0,0,0,1|2,0,0]=4 3229 B21R3.30927 ClC1CCC(CC1)NCc2cnc3ccccc3c2 b86f99dc007d7e0756eea6043d7c92e5 [0,1,0,0,0,1|2,0,0]=4 3230 B21R3.30927 ClC1CCC(CC1)NCc2cnc3ccccc3n2 11817043963756a3f33d85ee98c19f77 [0,1,0,0,0,1|2,0,0]=4 3231 B21R3.30927 ClC1CCC(CC1)NCc2ncc3ccccc3n2 e4a7e808d61edcc69fc112aef8349fba [0,1,0,0,0,1|2,0,0]=4 3232 B21R3.30927 Cl[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 f8e43054182a6763a91057308a4d88f5 [0,1,0,0,0,1|2,0,0]=4 3233 B21R3.30927 Cl[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 6b8798e3ab4525498a0a45cb71368e9b [0,1,0,0,0,1|2,0,0]=4 3234 B21R3.30927 Cl[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 cf3bcd2c1e41b881d632d1c3b5f66503 [0,1,0,0,0,1|2,0,0]=4 3235 B21R3.30927 Cl[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3n2 8c02a9a3de0b38173a187727f2695825 [0,1,0,0,0,1|2,0,0]=4 3236 B21R3.30927 Cl[C@H]1CC[C@@H](CC1)NCc2ncc3ccccc3n2 8f6e22061b4b6d388caf4d81c8eeb93c [0,1,0,0,0,1|2,0,0]=4 3237 B21R3.30927 Cl[C@H]1CC[C@H](CC1)NCc2cc3ccccc3cn2 b3b20e71b8d9ca799db8d5dc9d94010a [0,1,0,0,0,1|2,0,0]=4 3238 B21R3.30927 Cl[C@H]1CC[C@H](CC1)NCc2ccc3ccccc3n2 7d1055366dea6f790d446586e8904459 [0,1,0,0,0,1|2,0,0]=4 3239 B21R3.30927 Cl[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 8e6aa65673a86a5a62d84193426ca962 [0,1,0,0,0,1|2,0,0]=4 3240 B21R3.30927 Cl[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3n2 e2c16f288a532351105ffb2be4f49481 [0,1,0,0,0,1|2,0,0]=4 3241 B21R3.30927 Cl[C@H]1CC[C@H](CC1)NCc2ncc3ccccc3n2 8bde8d10156a42ee9806f81b053b3493 [0,1,0,0,0,1|2,0,0]=4 3242 B21R3.30927 OC1CCC(CC1)NCc2cc3ccccc3cn2 893164d9ff1b8e0473784732571f594f [0,1,0,0,0,1|2,0,0]=4 3243 B21R3.30927 OC1CCC(CC1)NCc2ccc3ccccc3n2 958b3e0cab72098e200dffcaa9d14d41 [0,1,0,0,0,1|2,0,0]=4 3244 B21R3.30927 OC1CCC(CC1)NCc2cnc3ccccc3c2 c34200d9d68d5c7d36efc785c8e79309 [0,1,0,0,0,1|2,0,0]=4 3245 B21R3.30927 OC1CCC(CC1)NCc2cnc3ccccc3n2 634e5be84d9a5078c587a0697fb4ceeb [0,1,0,0,0,1|2,0,0]=4 3246 B21R3.30927 OC1CCC(CC1)NCc2ncc3ccccc3n2 6972741ddd7bb45265802b74d3c16487 [0,1,0,0,0,1|2,0,0]=4 3247 B21R3.30927 O[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 727337024a95a40ed890ac6b68b6bdcd [0,1,0,0,0,1|2,0,0]=4 3248 B21R3.30927 O[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 15c69bcbb5f15536c5bbdc23317721d7 [0,1,0,0,0,1|2,0,0]=4 3249 B21R3.30927 O[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 7c8e041cf83e88dd710108c5cbd6383c [0,1,0,0,0,1|2,0,0]=4 3250 B21R3.30927 O[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3n2 258fd5d41d52e0e54275809bbbd22578 [0,1,0,0,0,1|2,0,0]=4 3251 B21R3.30927 O[C@H]1CC[C@@H](CC1)NCc2ncc3ccccc3n2 6565043ef0b911ea050c717b5c710b89 [0,1,0,0,0,1|2,0,0]=4 3252 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3cn2 8c35c26cd0fe4a0f68573daec5b24e1a [0,1,0,0,0,1|2,0,0]=4 3253 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2ccc3ccccc3n2 9ebca665157cc21cc19f4ff49e29ad4b [0,1,0,0,0,1|2,0,0]=4 3254 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 bbbd9302c74d08f5d7f20563cacd54ff [0,1,0,0,0,1|2,0,0]=4 3255 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3n2 cd501d7950f5fb9e7000eb428b40d20e [0,1,0,0,0,1|2,0,0]=4 3256 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2ncc3ccccc3n2 fe8fa6f66d46bb80d638882d2f6b8655 [0,1,0,0,0,1|2,0,0]=4 3257 B21R3.218733 CC1CCCCC1NCc2ccc3ccccc3n2 a0b156b35ff715015b193bf71033e707 [0,1,0,0,0,1|2,0,0]=4 3258 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3c2 a04edbd87ae57f37d92dc42d97c75ac2 [0,1,0,0,0,1|2,0,0]=4 3259 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3n2 53d84807d3970ab15b4e28c062347186 [0,1,0,0,0,1|2,0,0]=4 3260 B21R3.218733 CC1CCCCC1NCc2ncc3ccccc3n2 60a1d4c1cd4d5b6ecbd7f850c7bd506f [0,1,0,0,0,1|2,0,0]=4 3261 B21R3.218733 C[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3cn2 d14341b448e639e43cf90fd6427f2eed [0,1,0,0,0,1|2,0,0]=4 3262 B21R3.218733 C[C@@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 2fab8e26e4c0bc1ba94d97ed79db04b1 [0,1,0,0,0,1|2,0,0]=4 3263 B21R3.218733 C[C@@H]1CCCC[C@@H]1NCc2cnc3ccccc3c2 45e3612529771a9ac0116e30d977d073 [0,1,0,0,0,1|2,0,0]=4 3264 B21R3.218733 C[C@@H]1CCCC[C@@H]1NCc2cnc3ccccc3n2 8e1be698343ebbe9bc25ab82175cc5fc [0,1,0,0,0,1|2,0,0]=4 3265 B21R3.218733 C[C@@H]1CCCC[C@@H]1NCc2ncc3ccccc3n2 868614831358baea58f1110f4d1a23e9 [0,1,0,0,0,1|2,0,0]=4 3266 B21R3.218733 C[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 2eddb59d64671f18f46b87f09e3cada7 [0,1,0,0,0,1|2,0,0]=4 3267 B21R3.218733 C[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 2d9934f42693e56805d4b8ca2cfe8e7a [0,1,0,0,0,1|2,0,0]=4 3268 B21R3.218733 C[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 6c7044ca3be2ac8d21bd04154a4117fe [0,1,0,0,0,1|2,0,0]=4 3269 B21R3.218733 C[C@@H]1CCCC[C@H]1NCc2ncc3ccccc3n2 9d834f711cbc0ca05e6a3742457de931 [0,1,0,0,0,1|2,0,0]=4 3270 B21R3.218733 C[C@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 d82b8bd9dcad16cc6a3b4f8103f4b579 [0,1,0,0,0,1|2,0,0]=4 3271 B21R3.218733 C[C@H]1CCCC[C@@H]1NCc2cnc3ccccc3c2 3663337520753dceeb2fdcdfa2e942ef [0,1,0,0,0,1|2,0,0]=4 3272 B21R3.218733 C[C@H]1CCCC[C@@H]1NCc2cnc3ccccc3n2 412dfa0e4cabd540eaf4577cc7d74e53 [0,1,0,0,0,1|2,0,0]=4 3273 B21R3.218733 C[C@H]1CCCC[C@@H]1NCc2ncc3ccccc3n2 6f82e83dd1e0f4f42da94085df76836b [0,1,0,0,0,1|2,0,0]=4 3274 B21R3.218733 C[C@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 b923cfa8a9dca87e8b8f77e28e6208f4 [0,1,0,0,0,1|2,0,0]=4 3275 B21R3.218733 C[C@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 6f037a5ffb8f74f60450daa8a85d77c4 [0,1,0,0,0,1|2,0,0]=4 3276 B21R3.218733 C[C@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 314abc4d9c5efae6c989c444bd574826 [0,1,0,0,0,1|2,0,0]=4 3277 B21R3.218733 C[C@H]1CCCC[C@H]1NCc2ncc3ccccc3n2 5b51b5c83c6b8e89fe247a9e599c2dee [0,1,0,0,0,1|2,0,0]=4 3278 B21R3.218733 FC1CCCCC1NCc2cc3ccccc3cn2 9a6c88215ce4e516da155247d47b978c [0,1,0,0,0,1|2,0,0]=4 3279 B21R3.218733 FC1CCCCC1NCc2ccc3ccccc3n2 d26b9f7ac6166ba3832011b8e79ae3a6 [0,1,0,0,0,1|2,0,0]=4 3280 B21R3.218733 FC1CCCCC1NCc2cnc3ccccc3c2 b9156efadd046cc6bcad9de78c6df070 [0,1,0,0,0,1|2,0,0]=4 3281 B21R3.218733 FC1CCCCC1NCc2cnc3ccccc3n2 02e37b759a01b1ff02afee8638da9633 [0,1,0,0,0,1|2,0,0]=4 3282 B21R3.218733 OC1CCCCC1NCc2cc3ccccc3cn2 0df18f1a6e053e3775977ef3eb37b608 [0,1,0,0,0,1|2,0,0]=4 3283 B21R3.218733 OC1CCCCC1NCc2ccc3ccccc3n2 f8ceb15472c5cb9056b54b670c5d69e0 [0,1,0,0,0,1|2,0,0]=4 3284 B21R3.218733 OC1CCCCC1NCc2cnc3ccccc3c2 18fbbad69f910b792e26ed60ad131bf5 [0,1,0,0,0,1|2,0,0]=4 3285 B21R3.218733 OC1CCCCC1NCc2cnc3ccccc3n2 2cb4c773db1d7d8a76731ff847be18ae [0,1,0,0,0,1|2,0,0]=4 3286 B21R3.218733 OC1CCCCC1NCc2ncc3ccccc3n2 8327c7c91b00c2f69c5861a311d481b5 [0,1,0,0,0,1|2,0,0]=4 3287 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3cn2 a9ac2973f9f66e771cd2ed95a562062a [0,1,0,0,0,1|2,0,0]=4 3288 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 2cabbf596e8c144b98c5dc896928837b [0,1,0,0,0,1|2,0,0]=4 3289 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2cnc3ccccc3c2 26f797481c0c4ae4c104727d61eaf43a [0,1,0,0,0,1|2,0,0]=4 3290 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2cnc3ccccc3n2 8faec157525c89e9c107f52a5f3bdf61 [0,1,0,0,0,1|2,0,0]=4 3291 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2ncc3ccccc3n2 567de5d4a77f24137cd3d6bc04e62c03 [0,1,0,0,0,1|2,0,0]=4 3292 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 213ccda0f1aa3dba2ad4dc22b5e44691 [0,1,0,0,0,1|2,0,0]=4 3293 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 c3d56721893505278afc4814f0e1ad56 [0,1,0,0,0,1|2,0,0]=4 3294 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 b8e9915e3fc493b2479e2f7d3d82c033 [0,1,0,0,0,1|2,0,0]=4 3295 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 574c0b72dd52962ea81456724dfc84a5 [0,1,0,0,0,1|2,0,0]=4 3296 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2ncc3ccccc3n2 3f4613154ed9fe345778f49491e4f34d [0,1,0,0,0,1|2,0,0]=4 3297 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2cc3ccccc3cn2 1221390172133656942409d0268f3f9b [0,1,0,0,0,1|2,0,0]=4 3298 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 72935975e15763283a8319ce9463b4f3 [0,1,0,0,0,1|2,0,0]=4 3299 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2cnc3ccccc3c2 1a03fb326009eeddb401ee82e3e5f08c [0,1,0,0,0,1|2,0,0]=4 3300 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2cnc3ccccc3n2 9d54fad730f6578f74e218012d8d1907 [0,1,0,0,0,1|2,0,0]=4 3301 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2ncc3ccccc3n2 0048579cf5ff9e05b4c7dc313eb2d2ad [0,1,0,0,0,1|2,0,0]=4 3302 B21R3.397713 Fc1cccc2c1ncc(c2)CNC3CCCCC3 653a1b3b3ca1239d3dec3915c1490388 [0,1,0,0,0,1|2,0,0]=4 3303 B21R3.444247 O=c1[nH]c(nc2c1cccc2)CNC3CCCCC3 38aa0a7fb5227d1cddb7e73444b28c52 [0,1,0,0,0,1|2,0,0]=4 3304 B21R3.469780 CC1CCCC(C1)NCc2cc3ccccc3cn2 6423e001e67a0e6825e60efdc2625217 [0,1,0,0,0,1|2,0,0]=4 3305 B21R3.469780 CC1CCCC(C1)NCc2ccc3ccccc3n2 fbf3f3c97e3337a732c69862461f996d [0,1,0,0,0,1|2,0,0]=4 3306 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3c2 a871065fa353304e4b64fd17d43fc45a [0,1,0,0,0,1|2,0,0]=4 3307 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3n2 fbab691b78d47a0974e6071829fceac3 [0,1,0,0,0,1|2,0,0]=4 3308 B21R3.469780 CC1CCCC(C1)NCc2ncc3ccccc3n2 659a961c12f86dd1b51eba29d9641a1a [0,1,0,0,0,1|2,0,0]=4 3309 B21R3.469780 C[C@@H]1CCC[C@H](C1)NCc2cc3ccccc3cn2 3af755927780e208c88cb9cbe030f4a8 [0,1,0,0,0,1|2,0,0]=4 3310 B21R3.469780 C[C@@H]1CCC[C@H](C1)NCc2ccc3ccccc3n2 9a13174e58a4d2e7d7e33cf57eeb8b90 [0,1,0,0,0,1|2,0,0]=4 3311 B21R3.469780 C[C@@H]1CCC[C@H](C1)NCc2cnc3ccccc3c2 72f856924f8153af80b02f134818109c [0,1,0,0,0,1|2,0,0]=4 3312 B21R3.469780 C[C@@H]1CCC[C@H](C1)NCc2cnc3ccccc3n2 6b909fb75aae78b0ffa9421fe92202a4 [0,1,0,0,0,1|2,0,0]=4 3313 B21R3.469780 C[C@@H]1CCC[C@H](C1)NCc2ncc3ccccc3n2 8e954b5d15867ac747237bd5b5cbe25b [0,1,0,0,0,1|2,0,0]=4 3314 B21R3.469780 OC1CCCC(C1)NCc2cc3ccccc3cn2 fac519779bee24b0d2b3e2cef2432b66 [0,1,0,0,0,1|2,0,0]=4 3315 B21R3.469780 OC1CCCC(C1)NCc2ccc3ccccc3n2 799d73866769138adf5295e28b34e0e1 [0,1,0,0,0,1|2,0,0]=4 3316 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3c2 0f7ced2cc689010832efd26377fda9c9 [0,1,0,0,0,1|2,0,0]=4 3317 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3n2 c67d47111368ddffa9d9121dbcb063d9 [0,1,0,0,0,1|2,0,0]=4 3318 B21R3.469780 OC1CCCC(C1)NCc2ncc3ccccc3n2 98fe3bf4130eb05aea9daa6ce59c4052 [0,1,0,0,0,1|2,0,0]=4 3319 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2cc3ccccc3cn2 7ee48774985dcaa22d623821eada470d [0,1,0,0,0,1|2,0,0]=4 3320 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2ccc3ccccc3n2 42ec4da02c3c7cfe3346de16e8cd0052 [0,1,0,0,0,1|2,0,0]=4 3321 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2cnc3ccccc3c2 835ee80161ff2296d18274467b1ef863 [0,1,0,0,0,1|2,0,0]=4 3322 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2cnc3ccccc3n2 fb041f0783674963a066b1b6c81220e8 [0,1,0,0,0,1|2,0,0]=4 3323 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2ncc3ccccc3n2 c069ecc70854bdf5d653296170053a5b [0,1,0,0,0,1|2,0,0]=4 3324 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2cc3ccccc3cn2 c9354a3e8a55c9c043d8b09b4fa4e56c [0,1,0,0,0,1|2,0,0]=4 3325 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2ccc3ccccc3n2 d61db8588c24ff26c5115f1c2fb586eb [0,1,0,0,0,1|2,0,0]=4 3326 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2cnc3ccccc3c2 be81e071832178f4f9701e17c5cbb8c6 [0,1,0,0,0,1|2,0,0]=4 3327 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2cnc3ccccc3n2 74234dea2b6f14dbb2f02e4597ba019a [0,1,0,0,0,1|2,0,0]=4 3328 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2ncc3ccccc3n2 c01a80561160d1553263bb28b14ea661 [0,1,0,0,0,1|2,0,0]=4 3329 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2cc3ccccc3cn2 604687ef2867cd05b28c4d54c59f2037 [0,1,0,0,0,1|2,0,0]=4 3330 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2ccc3ccccc3n2 1ebd56cf01872872719399667e1b0769 [0,1,0,0,0,1|2,0,0]=4 3331 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2cnc3ccccc3c2 fac2f2c80ceae078217e43b42a0e60e4 [0,1,0,0,0,1|2,0,0]=4 3332 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2cnc3ccccc3n2 9595361831eda24de762ccca0ff4ba88 [0,1,0,0,0,1|2,0,0]=4 3333 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2ncc3ccccc3n2 2aeddad05406821703f9e67c4af588c5 [0,1,0,0,0,1|2,0,0]=4 3334 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2cc3ccccc3cn2 97aa12f1f514da092dd0a85a28f38d0e [0,1,0,0,0,1|2,0,0]=4 3335 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2ccc3ccccc3n2 7e4ce4b946f2c9f1153f106b96e1c778 [0,1,0,0,0,1|2,0,0]=4 3336 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2cnc3ccccc3c2 23feccebbbcbb734e9db56f021d211fc [0,1,0,0,0,1|2,0,0]=4 3337 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2cnc3ccccc3n2 b969749044b340e42c4a0501591ab66e [0,1,0,0,0,1|2,0,0]=4 3338 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2ncc3ccccc3n2 240cb355522a509a07dc04de6f0a5f3a [0,1,0,0,0,1|2,0,0]=4 3339 B21R3.4616280 CC1(CCCCC1)NCc2cc3ccccc3cn2 2da464561ce7df90667e914bbddaebbf [0,1,0,0,0,1|2,0,0]=4 3340 B21R3.4616280 CC1(CCCCC1)NCc2ccc3ccccc3n2 744430e6374091a72e4691448483b8fe [0,1,0,0,0,1|2,0,0]=4 3341 B21R3.4616280 CC1(CCCCC1)NCc2cnc3ccccc3c2 f7037f291207b95dedbb073532ccf573 [0,1,0,0,0,1|2,0,0]=4 3342 B21R3.4616280 CC1(CCCCC1)NCc2cnc3ccccc3n2 6f0949ecee3624311740af1b5006b66d [0,1,0,0,0,1|2,0,0]=4 3343 B21R3.4616280 CC1(CCCCC1)NCc2ncc3ccccc3n2 fe066a81326fc7180243a2c9a570db7e [0,1,0,0,0,1|2,0,0]=4 3344 B21R3.13048 Clc1c(sc2c1cccc2)CNCC3CCCCC3 5bffb621ec7b1f4c4b08a1f61afa7b75 [0,1,0,0,0,1|2,0,0]=4 3345 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 de595689dc0eac51f8f7ac09d1ee4778 [0,1,0,0,0,1|2,0,0]=4 3346 B21R3.24408 CC(NCc1cc2ccccc2s1)C3CCCCC3 b03a62897b77e6f30a957c6f88ec7bf8 [0,1,0,0,0,1|2,0,0]=4 3347 B21R3.24408 CC(NCc1nc2ccccc2[nH]1)C3CCCCC3 263da00ef4ecc3c71a32dc647075244a [0,1,0,0,0,1|2,0,0]=4 3348 B21R3.24408 CC(NCc1nc2ccccc2o1)C3CCCCC3 50fb4b356be79c106cd115432f5b4fe9 [0,1,0,0,0,1|1,1,0]=4 3349 B21R3.24408 CC(NCc1nc2ccccc2s1)C3CCCCC3 b5fb649945c96b8d676d1a058aba4188 [0,1,0,0,0,1|1,0,0]=3 3350 B21R3.24408 CC(NCc1nc2ccccc2s1)C3CCOCC3 f03167145958a0e0500918d996cf07c3 [0,1,0,0,0,1|2,0,0]=4 3351 B21R3.24408 CN(CCc1cc2ccccc2s1)C3CCCCC3 8b131225036de4a79406e113c370812b [0,1,0,0,0,1|2,0,0]=4 3352 B21R3.24408 CN(CCc1nc2ccccc2[nH]1)C3CCCCC3 fb1676f9c13d399e72b40171530551bd [0,1,0,0,0,1|2,0,0]=4 3353 B21R3.24408 CN(CSc1nc2ccccc2s1)C3CCOCC3 f13977fe35b39a2447b3fca74badfbd2 [0,1,0,0,0,1|1,0,0]=3 3354 B21R3.24408 C[C@@H](NCc1cc2ccccc2s1)C3CCCCC3 e6f5591d6196d93f9ea2caf25b588ff2 [0,1,0,0,0,1|2,0,0]=4 3355 B21R3.24408 C[C@@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 1d4d7b6cf5743cf77c046adb26ac1adf [0,1,0,0,0,1|2,0,0]=4 3356 B21R3.24408 C[C@@H](NCc1nc2ccccc2o1)C3CCCCC3 306c04545fafb3956e74547f5095417a [0,1,0,0,0,1|1,1,0]=4 3357 B21R3.24408 C[C@@H](NCc1nc2ccccc2s1)C3CCCCC3 1fc88905b761f614d9b7fd850b3e1ebd [0,1,0,0,0,1|1,0,0]=3 3358 B21R3.24408 C[C@@H](NCc1nc2ccccc2s1)C3CCOCC3 e52f5690146d0acbd4acd7b5ed5454d6 [0,1,0,0,0,1|2,0,0]=4 3359 B21R3.24408 C[C@H](NCc1cc2ccccc2s1)C3CCCCC3 8581e145ddea79bb7047298b47c60fa5 [0,1,0,0,0,1|2,0,0]=4 3360 B21R3.24408 C[C@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 c9f053c4b27552d095cfc841e7c8d621 [0,1,0,0,0,1|2,0,0]=4 3361 B21R3.24408 C[C@H](NCc1nc2ccccc2o1)C3CCCCC3 885c882b7ddca5f41064467a2bef0356 [0,1,0,0,0,1|1,1,0]=4 3362 B21R3.24408 C[C@H](NCc1nc2ccccc2s1)C3CCCCC3 7d4f773c417ad3b117ff958b35579557 [0,1,0,0,0,1|1,0,0]=3 3363 B21R3.24408 C[C@H](NCc1nc2ccccc2s1)C3CCOCC3 0e92ae5971983d696617be6eabaf1bfe [0,1,0,0,0,1|2,0,0]=4 3364 B21R3.24408 O=C(CNc1nc2ccccc2s1)C3CCCCC3 1da443771308e0c1670b8b2e55b83d34 [0,1,0,0,0,1|2,0,0]=4 3365 B21R3.24408 O=C(COc1nc2ccccc2s1)C3CCCCC3 8e73a2f51c1bd1f122b4d00fa434cbef [0,1,0,0,0,1|1,1,0]=4 3366 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCO3 69590e3eaf0926b48fbb27f96f48a4f9 [0,1,0,0,0,1|2,0,0]=4 3367 B21R3.24408 O=C(NCc1nc2ccccc2s1)[C@@H]3CCCCO3 529f44be4670771f212cd224befd97ad [0,1,0,0,0,1|2,0,0]=4 3368 B21R3.24408 O=C(NCc1nc2ccccc2s1)[C@H]3CCCCO3 84e8605ae52e279b29e835641bc72eec [0,1,0,0,0,1|2,0,0]=4 3369 B21R3.24408 OC(CNc1nc2ccccc2s1)C3CCCCC3 99917327259566d35635f9c5aabe08e7 [0,1,0,0,0,1|2,0,0]=4 3370 B21R3.151465 CC1CC(CCO1)NCSc2nc3ccccc3s2 eb9b0cb0f8986c9e15f5972334071bd1 [0,1,0,0,0,1|1,0,0]=3 3371 B21R3.151465 CC1CC(CCO1)OCSc2nc3ccccc3s2 eee2806fe59024e3fe3b937ab60c4118 [0,1,0,0,0,1|2,0,0]=4 3372 B21R3.151465 CC1CCCC(C1)CNCc2cc3ccccc3s2 07fd071293fa51dd072271a9f1c5feca [0,1,0,0,0,1|2,0,0]=4 3373 B21R3.151465 CC1CCCC(C1)CNCc2nc3ccccc3[nH]2 5ffc43bff1a012f9b6512b9050b70064 [0,1,0,0,0,1|2,0,0]=4 3374 B21R3.151465 CC1CCCC(C1)CNCc2nc3ccccc3o2 4499d46a5d02a97ce0343b5a96b059bd [0,1,0,0,0,1|1,1,0]=4 3375 B21R3.151465 CC1CCCC(C1)CNCc2nc3ccccc3s2 f8be81b914bcda37bf75c98a0493f511 [0,1,0,0,0,1|1,0,0]=3 3376 B21R3.151465 CC1CCCC(C1)COCc2nc3ccccc3s2 e247a08031df9feb70e12f340c9ee4c0 [0,1,0,0,0,1|1,1,0]=4 3377 B21R3.151465 CC1CCCC(C1)NCCc2cc3ccccc3s2 7e0d42f7ea9567c34350484f8bc7fbdf [0,1,0,0,0,1|2,0,0]=4 3378 B21R3.151465 CC1CCCC(C1)NCCc2nc3ccccc3[nH]2 616a9373f13ee2bb902c4622866ee8d7 [0,1,0,0,0,1|2,0,0]=4 3379 B21R3.151465 CC1CCCC(C1)NCSc2nc3ccccc3s2 9aeb2554e68baa1ea11ec375446310dc [0,1,0,0,0,1|0,0,0]=2 3380 B21R3.151465 CC1CCCC(C1)OCSc2nc3ccccc3s2 a21b064c36547f9d29c2bf6ec7bd1e8c [0,1,0,0,0,1|1,0,0]=3 3381 B21R3.151465 CN1CCCC(C1)CNCc2nc3ccccc3s2 17302b82eeffb96060e59a247e25e0b2 [0,1,0,0,0,1|2,0,0]=4 3382 B21R3.151465 CN1CCCC(C1)NCSc2nc3ccccc3s2 a91f1325d3c321a43067c6ecec0ba7ab [0,1,0,0,0,1|1,0,0]=3 3383 B21R3.151465 CN1CCCC(C1)OCSc2nc3ccccc3s2 b480d17d94e273a7563d320e298cf196 [0,1,0,0,0,1|2,0,0]=4 3384 B21R3.151465 CN1CCC[C@@H](C1)CNCc2nc3ccccc3s2 426dd9c84d47610ca3da8d386b19ac47 [0,1,0,0,0,1|2,0,0]=4 3385 B21R3.151465 CN1CCC[C@@H](C1)NCSc2nc3ccccc3s2 24eb80c647c4b64130462404303ce4ee [0,1,0,0,0,1|1,0,0]=3 3386 B21R3.151465 CN1CCC[C@@H](C1)OCSc2nc3ccccc3s2 575cfc5ac22ca991174d7f61acad8597 [0,1,0,0,0,1|2,0,0]=4 3387 B21R3.151465 CN1CCC[C@H](C1)CNCc2nc3ccccc3s2 6afd4961a7230257c1ac25691d9d97d9 [0,1,0,0,0,1|2,0,0]=4 3388 B21R3.151465 CN1CCC[C@H](C1)NCSc2nc3ccccc3s2 07289782fd4f2b4a2962a1c5133ecf68 [0,1,0,0,0,1|1,0,0]=3 3389 B21R3.151465 CN1CCC[C@H](C1)OCSc2nc3ccccc3s2 6403dc53b3133115593a4b9c24f47fee [0,1,0,0,0,1|2,0,0]=4 3390 B21R3.151465 C[C@@H]1CCC[C@@H](C1)OCSc2nc3ccccc3s2 981c2b0df77a1e348137911fdd13a38e [0,1,0,0,0,1|1,0,0]=3 3391 B21R3.151465 C[C@@H]1CCC[C@H](C1)NCCc2cc3ccccc3s2 e703111fc9f60e79d4b52a86f5fc28fc [0,1,0,0,0,1|2,0,0]=4 3392 B21R3.151465 C[C@@H]1CCC[C@H](C1)NCCc2nc3ccccc3[nH]2 5da174e2f9fcd07ed848ffc8f9a700d9 [0,1,0,0,0,1|2,0,0]=4 3393 B21R3.151465 C[C@@H]1CCC[C@H](C1)NCSc2nc3ccccc3s2 91e6ebcdd4b6cfe6730b756c9aeea9ed [0,1,0,0,0,1|0,0,0]=2 3394 B21R3.151465 C[C@@H]1C[C@@H](CCO1)NCSc2nc3ccccc3s2 23363807e571d8b36bf0bb5c219981e5 [0,1,0,0,0,1|1,0,0]=3 3395 B21R3.151465 C[C@@H]1C[C@@H](CCO1)OCSc2nc3ccccc3s2 3e4abe9d561a577e52e8f14cd7c82ca3 [0,1,0,0,0,1|2,0,0]=4 3396 B21R3.151465 C[C@@H]1C[C@H](CCO1)NCSc2nc3ccccc3s2 f12d2717400a825934b465cbe942d52e [0,1,0,0,0,1|1,0,0]=3 3397 B21R3.151465 C[C@@H]1C[C@H](CCO1)OCSc2nc3ccccc3s2 c873bf6cf5662ec1c1bfcda5e3216959 [0,1,0,0,0,1|2,0,0]=4 3398 B21R3.151465 C[C@H]1CCC[C@@H](C1)OCSc2nc3ccccc3s2 acb15ec229f3f646883d9bf1f05aaa36 [0,1,0,0,0,1|1,0,0]=3 3399 B21R3.151465 C[C@H]1CCC[C@H](C1)OCSc2nc3ccccc3s2 27bcd3583cfe06ee225f204768f91f3b [0,1,0,0,0,1|1,0,0]=3 3400 B21R3.151465 C[C@H]1C[C@@H](CCO1)NCSc2nc3ccccc3s2 f6f6578b552b3b4d07d13e0f1499f64d [0,1,0,0,0,1|1,0,0]=3 3401 B21R3.151465 C[C@H]1C[C@@H](CCO1)OCSc2nc3ccccc3s2 5859ca0a93c71004b81a94e2aeac65b2 [0,1,0,0,0,1|2,0,0]=4 3402 B21R3.151465 C[C@H]1C[C@H](CCO1)NCSc2nc3ccccc3s2 aa16e7de04cae4a694d177c9d21f697b [0,1,0,0,0,1|1,0,0]=3 3403 B21R3.151465 C[C@H]1C[C@H](CCO1)OCSc2nc3ccccc3s2 c3ef82d1840afbd493b39407353c08c2 [0,1,0,0,0,1|2,0,0]=4 3404 B21R3.151465 O=C1CC(CCN1)NCSc2nc3ccccc3s2 172e7af57a65dc9cc7a29ea005bf870a [0,1,0,0,0,1|1,0,1]=4 3405 B21R3.151465 O=C1CCCC(C1)NCCc2nc3ccccc3s2 bb5c5992ff9977c455c4d5680af8b40c [0,1,0,0,0,1|1,0,1]=4 3406 B21R3.151465 O=C1CCCC(C1)OCSc2nc3ccccc3s2 02f2144eae872f082bf644fe1a202a51 [0,1,0,0,0,1|1,0,1]=4 3407 B21R3.151465 O=C1C[C@@H](CCN1)NCSc2nc3ccccc3s2 a0039312803bacbcc9231b4bec6781e8 [0,1,0,0,0,1|1,0,1]=4 3408 B21R3.151465 O=C1C[C@H](CCN1)NCSc2nc3ccccc3s2 12d30e97450b1f980c4cd5afd4ba965a [0,1,0,0,0,1|1,0,1]=4 3409 B21R3.151465 OC1CCCC(C1)CNCc2cc3ccccc3s2 020a80fb627fd6d6e57b9533c0be0829 [0,1,0,0,0,1|2,0,0]=4 3410 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3[nH]2 6bb055388d4bd3bfd6a964911ea449b6 [0,1,0,0,0,1|2,0,0]=4 3411 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3o2 c78869a6bc304858b4f4e3db947ff039 [0,1,0,0,0,1|1,1,0]=4 3412 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3s2 c6d26c85b73d5b99c9834e51b599537d [0,1,0,0,0,1|1,0,0]=3 3413 B21R3.151465 OC1CCCC(C1)NCCc2cc3ccccc3s2 66b506dfd4fe3eaa99846ff869bd595d [0,1,0,0,0,1|2,0,0]=4 3414 B21R3.151465 OC1CCCC(C1)NCCc2nc3ccccc3[nH]2 df2ff6e9d369a17c115a7fa700004563 [0,1,0,0,0,1|2,0,0]=4 3415 B21R3.151465 OC1CCCC(C1)NCSc2nc3ccccc3s2 bcd04f9d94a1d1c3007d4e08e9ce3a7d [0,1,0,0,0,1|0,0,0]=2 3416 B21R3.151465 OC1COCC(C1)NCSc2nc3ccccc3s2 435af7ebdbc59020a779fdcce375f24b [0,1,0,0,0,1|1,0,0]=3 3417 B21R3.151465 O[C@@H]1CCC[C@@H](C1)CNCc2cc3ccccc3s2 08100fe640020674c4fec1c690da6c14 [0,1,0,0,0,1|2,0,0]=4 3418 B21R3.151465 O[C@@H]1CCC[C@@H](C1)CNCc2nc3ccccc3[nH]2 95ad8a000adb8791f1b1c42e5d4be8c1 [0,1,0,0,0,1|2,0,0]=4 3419 B21R3.151465 O[C@@H]1CCC[C@@H](C1)CNCc2nc3ccccc3o2 7f4d97d0ef176a03ff5dbce47ac4221c [0,1,0,0,0,1|1,1,0]=4 3420 B21R3.151465 O[C@@H]1CCC[C@@H](C1)CNCc2nc3ccccc3s2 ffa35a71aac5ead104ecd778ac78b61d [0,1,0,0,0,1|1,0,0]=3 3421 B21R3.151465 O[C@@H]1CCC[C@@H](C1)NCCc2cc3ccccc3s2 593f7acb44ca6b1f39b2be4bc56e8bb3 [0,1,0,0,0,1|2,0,0]=4 3422 B21R3.151465 O[C@@H]1CCC[C@@H](C1)NCCc2nc3ccccc3[nH]2 54455000aa48b23bf4a2150bf1c17e41 [0,1,0,0,0,1|2,0,0]=4 3423 B21R3.151465 O[C@@H]1CCC[C@@H](C1)NCSc2nc3ccccc3s2 d2f541533c24662b5a206999f847d205 [0,1,0,0,0,1|0,0,0]=2 3424 B21R3.151465 O[C@@H]1CCC[C@H](C1)NCCc2cc3ccccc3s2 90f68b79f22d876d0d9ac425d226183c [0,1,0,0,0,1|2,0,0]=4 3425 B21R3.151465 O[C@@H]1CCC[C@H](C1)NCCc2nc3ccccc3[nH]2 b661a687ff62962da461f8f261baf8c4 [0,1,0,0,0,1|2,0,0]=4 3426 B21R3.151465 O[C@@H]1CCC[C@H](C1)NCSc2nc3ccccc3s2 33925a62fcff1ee6e785619f7a1bc435 [0,1,0,0,0,1|0,0,0]=2 3427 B21R3.151465 O[C@@H]1COC[C@@H](C1)NCSc2nc3ccccc3s2 1e879d8806dfbb4935409156745e7c2b [0,1,0,0,0,1|1,0,0]=3 3428 B21R3.151465 O[C@H]1CCC[C@@H](C1)NCCc2cc3ccccc3s2 6e3e773d9a6b18c60360f9f9206a76d5 [0,1,0,0,0,1|2,0,0]=4 3429 B21R3.151465 O[C@H]1CCC[C@@H](C1)NCCc2nc3ccccc3[nH]2 c3074146e7edb3aacb9aa11e5c3e88fe [0,1,0,0,0,1|2,0,0]=4 3430 B21R3.151465 O[C@H]1CCC[C@@H](C1)NCSc2nc3ccccc3s2 da9e29fc0e0298e7a37f03e158a9adc2 [0,1,0,0,0,1|0,0,0]=2 3431 B21R3.151465 O[C@H]1CCC[C@H](C1)NCCc2cc3ccccc3s2 ac7672a483601487da83cbcd068ee57f [0,1,0,0,0,1|2,0,0]=4 3432 B21R3.151465 O[C@H]1CCC[C@H](C1)NCCc2nc3ccccc3[nH]2 875e5ebf2141be2e90f43ca2fc1de12b [0,1,0,0,0,1|2,0,0]=4 3433 B21R3.151465 O[C@H]1CCC[C@H](C1)NCSc2nc3ccccc3s2 c02b2eabcb151bf035d4ad0c6d241723 [0,1,0,0,0,1|0,0,0]=2 3434 B21R3.151465 O[C@H]1COC[C@H](C1)NCSc2nc3ccccc3s2 004cac746366e7ab2e2cf54ae19a394c [0,1,0,0,0,1|1,0,0]=3 3435 B21R3.154845 Brc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 886878b074985772834e446100dc0d49 [0,1,0,0,0,1|2,0,0]=4 3436 B21R3.154845 Brc1ccc2nc(sc2c1)CNCC3CCCCC3 d803ef63277fa53bbc2396572e911427 [0,1,0,0,0,1|1,0,0]=3 3437 B21R3.154845 Brc1ccc2nc(sc2c1)CNCC3CCCCO3 c7373d4621194cc90fa4357d148ca702 [0,1,0,0,0,1|2,0,0]=4 3438 B21R3.154845 Brc1ccc2nc(sc2c1)CNCC3CCCOC3 e48e145f964046af5c1705845f9386f0 [0,1,0,0,0,1|2,0,0]=4 3439 B21R3.154845 Brc1ccc2nc(sc2c1)CNCC3CCOCC3 0795230be6d9e02a42acd61f9bec711f [0,1,0,0,0,1|2,0,0]=4 3440 B21R3.154845 Brc1ccc2nc(sc2c1)CNCC3CCSCC3 bf581a333b65647ec8aadae1c65f93cd [0,1,0,0,0,1|2,0,0]=4 3441 B21R3.154845 Brc1ccc2nc(sc2c1)NCCC3CCCCC3 f91c0ebe0d6fccd0b338b48fe58ab481 [0,1,0,0,0,1|2,0,0]=4 3442 B21R3.154845 Brc1ccc2nc(sc2c1)NCOC3CCCCC3 f54cb52e5099aa10c80872173a2ad8c9 [0,1,0,0,0,1|2,0,0]=4 3443 B21R3.154845 Brc1ccc2sc(nc2c1)NCCC3CCCCC3 7e5e0052729e2b4dd31103c75a2e4ebc [0,1,0,0,0,1|2,0,0]=4 3444 B21R3.154845 Brc1ccc2sc(nc2c1)NCOC3CCCCC3 3a265d9b8431d2e585b315cfbc318449 [0,1,0,0,0,1|2,0,0]=4 3445 B21R3.154845 Cc1ccc2[nH]c(nc2c1)CCNC3CCCCC3 aa290a34b1eba978c939cdcb758c11fb [0,1,0,0,0,1|2,0,0]=4 3446 B21R3.154845 Cc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 7c251ac9ce338f8be9057b90be3e04d5 [0,1,0,0,0,1|2,0,0]=4 3447 B21R3.154845 Cc1ccc2nc(oc2c1)CCNC3CCCCC3 ac3c206b1852ded86ff497cf2626aba6 [0,1,0,0,0,1|1,1,0]=4 3448 B21R3.154845 Cc1ccc2nc(oc2c1)CNCC3CCCCC3 8c896acd81e0ca2ffd912510b143b754 [0,1,0,0,0,1|1,1,0]=4 3449 B21R3.154845 Cc1ccc2nc(sc2c1)NCCC3CCCCC3 5c70a8a1fcc625c074ec03e01f5fa444 [0,1,0,0,0,1|2,0,0]=4 3450 B21R3.154845 Cc1ccc2nc(sc2c1)NCOC3CCCCC3 c8212665d253cc3ded73ce4f79976664 [0,1,0,0,0,1|2,0,0]=4 3451 B21R3.154845 Cc1ccc2nc(sc2c1)OCCC3CCCCC3 83d856c22ff537e9b7a4ae1d451aec9c [0,1,0,0,0,1|1,1,0]=4 3452 B21R3.154845 Cc1ccc2nc(sc2c1)OCOC3CCCCC3 1a29f313404388ad84cc2aa8d46dc3b1 [0,1,0,0,0,1|1,1,0]=4 3453 B21R3.154845 Cc1ccc2oc(nc2c1)CCNC3CCCCC3 62b22c23197e88faed693edd44058c2d [0,1,0,0,0,1|1,1,0]=4 3454 B21R3.154845 Cc1ccc2oc(nc2c1)CNCC3CCCCC3 9e2a65a2ae56b690ce07f038045ad663 [0,1,0,0,0,1|1,1,0]=4 3455 B21R3.154845 Cc1ccc2sc(nc2c1)NCCC3CCCCC3 20de971aca6978b3021768cf7cdaafdf [0,1,0,0,0,1|2,0,0]=4 3456 B21R3.154845 Cc1ccc2sc(nc2c1)NCOC3CCCCC3 8a3703e07b268c7f1502b17d76c58bc0 [0,1,0,0,0,1|2,0,0]=4 3457 B21R3.154845 Clc1ccc2[nH]c(nc2c1)CCNC3CCCCC3 ae319fbfca8d907e75dfcb938a0250e7 [0,1,0,0,0,1|2,0,0]=4 3458 B21R3.154845 Clc1ccc2nc([nH]c2c1)CNCC3CCCCC3 ff2e3f34d1b5f09d7613149d674000b9 [0,1,0,0,0,1|2,0,0]=4 3459 B21R3.154845 Clc1ccc2nc(oc2c1)CCNC3CCCCC3 647c87e484728bf363f92509ff82246c [0,1,0,0,0,1|1,1,0]=4 3460 B21R3.154845 Clc1ccc2nc(oc2c1)CNCC3CCCCC3 913c76387ead96fd91867f8c299bec13 [0,1,0,0,0,1|1,1,0]=4 3461 B21R3.154845 Clc1ccc2nc(sc2c1)CNCC3CCCCC3 6fb73934213db57e2122d934b280fe22 [0,1,0,0,0,1|1,0,0]=3 3462 B21R3.154845 Clc1ccc2nc(sc2c1)CNCC3CCCCO3 512f9b827442c6149174b4e8081ac3eb [0,1,0,0,0,1|2,0,0]=4 3463 B21R3.154845 Clc1ccc2nc(sc2c1)CNCC3CCCOC3 82e67c541f169f67d5ea4f6839c57218 [0,1,0,0,0,1|2,0,0]=4 3464 B21R3.154845 Clc1ccc2nc(sc2c1)CNCC3CCOCC3 6b36acca6b3766f9b68082837d159b7c [0,1,0,0,0,1|2,0,0]=4 3465 B21R3.154845 Clc1ccc2nc(sc2c1)CNCC3CCSCC3 0bc9320ba5211c1d49de66b0aad9da48 [0,1,0,0,0,1|2,0,0]=4 3466 B21R3.154845 Clc1ccc2nc(sc2c1)NCCC3CCCCC3 83a044ba9b7404d937e0d3cfca41090a [0,1,0,0,0,1|2,0,0]=4 3467 B21R3.154845 Clc1ccc2nc(sc2c1)NCOC3CCCCC3 8423eee1c2266c04374911e1c6fc0a7e [0,1,0,0,0,1|2,0,0]=4 3468 B21R3.154845 Clc1ccc2nc(sc2c1)OCCC3CCCCC3 b962fc543ede58dd04700391156abfa6 [0,1,0,0,0,1|1,1,0]=4 3469 B21R3.154845 Clc1ccc2nc(sc2c1)OCOC3CCCCC3 e1e8fd071b150f7cc23a9b91ce55c2d5 [0,1,0,0,0,1|1,1,0]=4 3470 B21R3.154845 Clc1ccc2oc(nc2c1)CNCC3CCCCC3 fc96d4e920e99eb5378550edd8306227 [0,1,0,0,0,1|1,1,0]=4 3471 B21R3.154845 Clc1ccc2sc(cc2c1)CNCC3CCCCC3 d1e26800d291af49f3645ec09d55e0bc [0,1,0,0,0,1|2,0,0]=4 3472 B21R3.154845 Clc1ccc2sc(nc2c1)NCCC3CCCCC3 03545dfd532e4871dc59fb19bcec3bac [0,1,0,0,0,1|2,0,0]=4 3473 B21R3.154845 Clc1ccc2sc(nc2c1)NCOC3CCCCC3 ccb3933922d023624e2c528eb1ae120c [0,1,0,0,0,1|2,0,0]=4 3474 B21R3.154845 Clc1cnc2sc(nc2c1)CNCC3CCCCC3 ce3a824d452b4a5075466716440f348f [0,1,0,0,0,1|2,0,0]=4 3475 B21R3.154845 Fc1ccc2nc([nH]c2c1)CNCC3CCCCC3 bdf2f0f529ba2fda474f6cb466441b6e [0,1,0,0,0,1|2,0,0]=4 3476 B21R3.154845 Fc1ccc2nc(oc2c1)CNCC3CCCCC3 b98403293a6dc04d1ebb5569faa4617f [0,1,0,0,0,1|1,1,0]=4 3477 B21R3.154845 Fc1ccc2nc(sc2c1)COCC3CCCCC3 a02d86944d1fc6d5039886062382791f [0,1,0,0,0,1|1,1,0]=4 3478 B21R3.154845 Fc1ccc2nc(sc2c1)NCCC3CCCCC3 e39628462b97badabcbdbca75b60501e [0,1,0,0,0,1|2,0,0]=4 3479 B21R3.154845 Fc1ccc2nc(sc2c1)NCOC3CCCCC3 683a51e19b7b6438b17ae883c3b1a22f [0,1,0,0,0,1|2,0,0]=4 3480 B21R3.154845 Fc1ccc2nc(sc2c1)OCCC3CCCCC3 2d7dd122b81037b34494e2e41c4ed0ea [0,1,0,0,0,1|1,1,0]=4 3481 B21R3.154845 Fc1ccc2nc(sc2c1)OCOC3CCCCC3 05debada860eaec6b28b264c10b30f95 [0,1,0,0,0,1|1,1,0]=4 3482 B21R3.154845 Fc1ccc2oc(nc2c1)CNCC3CCCCC3 bdba4844553aab4190e52336a85bc53a [0,1,0,0,0,1|1,1,0]=4 3483 B21R3.154845 Fc1ccc2sc(nc2c1)CNCC3CCCCC3 ac99d0fb5f2e378e84bebea596a2abe3 [0,1,0,0,0,1|1,0,0]=3 3484 B21R3.154845 Fc1ccc2sc(nc2c1)CNCC3CCCCO3 0d47c9c6666377a70de9a9c6148fa452 [0,1,0,0,0,1|2,0,0]=4 3485 B21R3.154845 Fc1ccc2sc(nc2c1)CNCC3CCCOC3 ef7392598d7b943bad73490c6dbb180f [0,1,0,0,0,1|2,0,0]=4 3486 B21R3.154845 Fc1ccc2sc(nc2c1)CNCC3CCOCC3 f135152e7f2576c0726c7e5ef9042096 [0,1,0,0,0,1|2,0,0]=4 3487 B21R3.154845 Fc1ccc2sc(nc2c1)CNCC3CCSCC3 5f2f8cf8ea11f9874b7a85a817f78a89 [0,1,0,0,0,1|2,0,0]=4 3488 B21R3.154845 Fc1ccc2sc(nc2c1)CNC[C@@H]3CCCOC3 ab2fe22df7fec232c83fff0daadecf1c [0,1,0,0,0,1|2,0,0]=4 3489 B21R3.154845 Fc1ccc2sc(nc2c1)CNC[C@H]3CCCOC3 9849ddfd862d144dd4fc65658b4eb249 [0,1,0,0,0,1|2,0,0]=4 3490 B21R3.154845 Fc1ccc2sc(nc2c1)COCC3CCCCC3 e103a2ff5a33a0d8ae779b3065770976 [0,1,0,0,0,1|1,1,0]=4 3491 B21R3.154845 Fc1ccc2sc(nc2c1)NCCC3CCCCC3 ad17f2e4c87fe43b500e558a2d33e746 [0,1,0,0,0,1|2,0,0]=4 3492 B21R3.154845 Fc1ccc2sc(nc2c1)NCOC3CCCCC3 4a98d01c23cf89a4bc08e1d79360b6d4 [0,1,0,0,0,1|2,0,0]=4 3493 B21R3.154845 Ic1ccc2nc(sc2c1)NCCC3CCCCC3 006bf117e84556b80eb74f3ac82e1eef [0,1,0,0,0,1|2,0,0]=4 3494 B21R3.154845 Ic1ccc2nc(sc2c1)NCOC3CCCCC3 09c38bed1a6a333f754efa1271a6a2b0 [0,1,0,0,0,1|2,0,0]=4 3495 B21R3.217517 CC1CCCCC1CNCc2cc3ccccc3s2 a063ee50d6683d3d06f9272fd6755141 [0,1,0,0,0,1|2,0,0]=4 3496 B21R3.217517 CC1CCCCC1CNCc2nc3ccccc3[nH]2 c6fb52a0969e48c5d604f53e2ba43d8c [0,1,0,0,0,1|2,0,0]=4 3497 B21R3.217517 CC1CCCCC1CNCc2nc3ccccc3o2 51c8330d55a12cc0ae3b55798320886c [0,1,0,0,0,1|1,1,0]=4 3498 B21R3.217517 CC1CCCCC1CNCc2nc3ccccc3s2 5d1b1ba73118a6c84a8d3e1eddbffa8a [0,1,0,0,0,1|1,0,0]=3 3499 B21R3.217517 CC1CCCCC1NCCc2cc3ccccc3s2 735d0ee3c2e194d2b1e9419a124945c0 [0,1,0,0,0,1|2,0,0]=4 3500 B21R3.217517 CC1CCCCC1NCCc2nc3ccccc3[nH]2 c7e58b0991415b07c94ec050b052ff85 [0,1,0,0,0,1|2,0,0]=4 3501 B21R3.217517 CC1CCCCC1NCSc2nc3ccccc3s2 7099e36af358ece0e5200af613495b20 [0,1,0,0,0,1|0,0,0]=2 3502 B21R3.217517 CC1CCCCC1OCSc2nc3ccccc3s2 7284c64285e5b6a1996f980213bef8c6 [0,1,0,0,0,1|1,0,0]=3 3503 B21R3.217517 CC1COCCC1NCSc2nc3ccccc3s2 57f27b7472bd8ce027d1e87de8156c14 [0,1,0,0,0,1|1,0,0]=3 3504 B21R3.217517 CC1COCCC1OCSc2nc3ccccc3s2 9da16d5aa99c018394292353ffa1455b [0,1,0,0,0,1|2,0,0]=4 3505 B21R3.217517 CN1CCCCC1CNCc2nc3ccccc3s2 f6f1abc84ee5f4a51c9ea2936c626c11 [0,1,0,0,0,1|2,0,0]=4 3506 B21R3.217517 C[C@@H]1CCCC[C@@H]1NCCc2cc3ccccc3s2 f9835711a323e47dc26e0405d2819dc6 [0,1,0,0,0,1|2,0,0]=4 3507 B21R3.217517 C[C@@H]1CCCC[C@@H]1NCCc2nc3ccccc3[nH]2 7080e4abb844f4a74b07203f7986c654 [0,1,0,0,0,1|2,0,0]=4 3508 B21R3.217517 C[C@@H]1CCCC[C@@H]1NCCc2nc3ccccc3s2 1a7c7aea93257a9bf4034652ef687ea0 [0,1,0,0,0,1|1,0,0]=3 3509 B21R3.217517 C[C@@H]1CCCC[C@@H]1NCSc2nc3ccccc3s2 7cd800cc055cbf7b85e418fa5fd117d0 [0,1,0,0,0,1|0,0,0]=2 3510 B21R3.217517 C[C@@H]1CCCC[C@@H]1OCCc2nc3ccccc3s2 d3420e1bf6598c06fb1f357114525635 [0,1,0,0,0,1|2,0,0]=4 3511 B21R3.217517 C[C@@H]1CCCC[C@@H]1OCSc2nc3ccccc3s2 12869cbbf9f10150eed09c64da87080f [0,1,0,0,0,1|1,0,0]=3 3512 B21R3.217517 C[C@@H]1CCCC[C@H]1NCCc2cc3ccccc3s2 acfa3cc8d9333b7419c77224a5336ca5 [0,1,0,0,0,1|2,0,0]=4 3513 B21R3.217517 C[C@@H]1CCCC[C@H]1NCCc2nc3ccccc3[nH]2 ad57cd875f79eed557fc86c85ac6c95a [0,1,0,0,0,1|2,0,0]=4 3514 B21R3.217517 C[C@@H]1CCCC[C@H]1NCSc2nc3ccccc3s2 8728ab8e1fc9160b1b982c048cc1514f [0,1,0,0,0,1|0,0,0]=2 3515 B21R3.217517 C[C@@H]1COCC[C@@H]1NCSc2nc3ccccc3s2 5be653bd726a824956a382f0e59707fd [0,1,0,0,0,1|1,0,0]=3 3516 B21R3.217517 C[C@H]1CCCC[C@@H]1NCCc2cc3ccccc3s2 9d74685bf1259e290d202a77379c4152 [0,1,0,0,0,1|2,0,0]=4 3517 B21R3.217517 C[C@H]1CCCC[C@@H]1NCCc2nc3ccccc3[nH]2 bd7d2f34436ef3e853d8e70202cd2c60 [0,1,0,0,0,1|2,0,0]=4 3518 B21R3.217517 C[C@H]1CCCC[C@@H]1NCSc2nc3ccccc3s2 85ed2543d0f1393d50ba593cfb37cf41 [0,1,0,0,0,1|0,0,0]=2 3519 B21R3.217517 C[C@H]1CCCC[C@@H]1OCSc2nc3ccccc3s2 79b2b8195f78b70b9f32b80aaf7817a4 [0,1,0,0,0,1|1,0,0]=3 3520 B21R3.217517 C[C@H]1CCCC[C@H]1NCCc2cc3ccccc3s2 353be7017c6cff881713b0261c6db2a6 [0,1,0,0,0,1|2,0,0]=4 3521 B21R3.217517 C[C@H]1CCCC[C@H]1NCCc2nc3ccccc3[nH]2 4f8af02a303108eaa8c660ea3d51e04e [0,1,0,0,0,1|2,0,0]=4 3522 B21R3.217517 C[C@H]1CCCC[C@H]1NCSc2nc3ccccc3s2 888df46ec0097aebfcf0d4d3ddef2907 [0,1,0,0,0,1|0,0,0]=2 3523 B21R3.217517 C[C@H]1CCCC[C@H]1OCSc2nc3ccccc3s2 03529f9f466ba1eb717f4049fabc3ad0 [0,1,0,0,0,1|1,0,0]=3 3524 B21R3.217517 C[C@H]1COCC[C@H]1NCSc2nc3ccccc3s2 73540a2e11ea3da108b06de511edce74 [0,1,0,0,0,1|1,0,0]=3 3525 B21R3.217517 FC1CCCCC1NCCc2cc3ccccc3s2 d587025f5e8beb975639de8c7469ccd6 [0,1,0,0,0,1|2,0,0]=4 3526 B21R3.217517 FC1CCCCC1NCCc2nc3ccccc3[nH]2 f455122b342f1b2077ca56b624aa1c2c [0,1,0,0,0,1|2,0,0]=4 3527 B21R3.217517 FC1CCCCC1NCCc2nc3ccccc3s2 2500e75c1a6964d00c269a356a503212 [0,1,0,0,0,1|1,0,0]=3 3528 B21R3.217517 FC1CCCCC1OCCc2nc3ccccc3s2 70e134dd27ad5f1e3b02e458d2a77529 [0,1,0,0,0,1|2,0,0]=4 3529 B21R3.217517 FC1CCCCC1OCSc2nc3ccccc3s2 6952621ceaba368a08c53ee50da5c5dd [0,1,0,0,0,1|1,0,0]=3 3530 B21R3.217517 FC1COCCC1OCSc2nc3ccccc3s2 2571cebbc66a536bea53abbe9ea0a2fc [0,1,0,0,0,1|2,0,0]=4 3531 B21R3.217517 F[C@@H]1CCCC[C@H]1OCSc2nc3ccccc3s2 8cb2534ed7f14fbc6ab024e5b264b026 [0,1,0,0,0,1|1,0,0]=3 3532 B21R3.217517 F[C@@H]1COCC[C@@H]1OCSc2nc3ccccc3s2 a485d58ce23793ff17037c68e80a2507 [0,1,0,0,0,1|2,0,0]=4 3533 B21R3.217517 F[C@@H]1COCC[C@H]1NCSc2nc3ccccc3s2 a60ea12968ee1338a510e6e9c952becb [0,1,0,0,0,1|1,0,0]=3 3534 B21R3.217517 F[C@H]1COCC[C@@H]1NCSc2nc3ccccc3s2 93484970f568150c9d6af9d52335fc3f [0,1,0,0,0,1|1,0,0]=3 3535 B21R3.217517 F[C@H]1COCC[C@@H]1OCSc2nc3ccccc3s2 0e3c4f1549f747f1ac90baa3dc43098c [0,1,0,0,0,1|2,0,0]=4 3536 B21R3.217517 F[C@H]1COCC[C@H]1OCSc2nc3ccccc3s2 88d94bd24fb3c5696a68d4ca00207871 [0,1,0,0,0,1|2,0,0]=4 3537 B21R3.217517 O=C1CCCCC1NCCc2nc3ccccc3s2 1b33003aee8963c7e3e24f82e4678a47 [0,1,0,0,0,1|1,0,1]=4 3538 B21R3.217517 O=C1CCCCC1OCSc2nc3ccccc3s2 ba82ec014d1a3552c4f3edad21b75ed1 [0,1,0,0,0,1|1,0,1]=4 3539 B21R3.217517 O=C1NCCCC1NCSc2nc3ccccc3s2 f2db302422a37e251e045e57a02f454f [0,1,0,0,0,1|1,0,1]=4 3540 B21R3.217517 O=C1NCCC[C@@H]1NCSc2nc3ccccc3s2 f5761bb1e85e45c698ca0961da54832f [0,1,0,0,0,1|1,0,1]=4 3541 B21R3.217517 O=C1NCCC[C@H]1NCSc2nc3ccccc3s2 3d7bfbdbfc75325bd7413e844ec12f68 [0,1,0,0,0,1|1,0,1]=4 3542 B21R3.217517 OC1CCCCC1CNCc2cc3ccccc3s2 bb7b8af6eeab2a7435c7140348d9116e [0,1,0,0,0,1|2,0,0]=4 3543 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3[nH]2 5b87e75c8ef8267ef9ecdba33fb59d6e [0,1,0,0,0,1|2,0,0]=4 3544 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3o2 f1d75c6b24834c0cb9edc6ce13318053 [0,1,0,0,0,1|1,1,0]=4 3545 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3s2 719e4283fac0af3452a55e40e672aadf [0,1,0,0,0,1|1,0,0]=3 3546 B21R3.217517 OC1CCCCC1NCCc2cc3ccccc3s2 dec18d3f2e8a780cdcee8a4722381843 [0,1,0,0,0,1|2,0,0]=4 3547 B21R3.217517 OC1CCCCC1NCCc2nc3ccccc3[nH]2 f1a2e0276c5cd36ef67ddbe5b4e0eff8 [0,1,0,0,0,1|2,0,0]=4 3548 B21R3.217517 OC1CCCCC1NCCc2nc3ccccc3s2 ef81f9fdbb8ee4041106ed386f6f3c82 [0,1,0,0,0,1|1,0,0]=3 3549 B21R3.217517 OC1CCCCC1NCSc2nc3ccccc3s2 d72e4e9f13742da5d836601bba0f0e79 [0,1,0,0,0,1|0,0,0]=2 3550 B21R3.217517 OC1CCSCC1CNCc2nc3ccccc3s2 817ce3674bbc5f085d52a285f932a829 [0,1,0,0,0,1|2,0,0]=4 3551 B21R3.217517 OC1COCCC1NCSc2nc3ccccc3s2 89c6f45f6f1b2c4ca35b0c89c64c55a9 [0,1,0,0,0,1|1,0,0]=3 3552 B21R3.217517 O[C@@H]1CCCC[C@@H]1NCCc2cc3ccccc3s2 c62238826628e29dfd4fb7babc34d767 [0,1,0,0,0,1|2,0,0]=4 3553 B21R3.217517 O[C@@H]1CCCC[C@@H]1NCCc2nc3ccccc3[nH]2 452d06c8c4b8494cf581859c18524b72 [0,1,0,0,0,1|2,0,0]=4 3554 B21R3.217517 O[C@@H]1CCCC[C@@H]1NCSc2nc3ccccc3s2 1c54220e41274b9747eb2099da79ec3f [0,1,0,0,0,1|0,0,0]=2 3555 B21R3.217517 O[C@@H]1CCCC[C@H]1NCCc2cc3ccccc3s2 64d0e14381259d9c6c505bb4d46ce1af [0,1,0,0,0,1|2,0,0]=4 3556 B21R3.217517 O[C@@H]1CCCC[C@H]1NCCc2nc3ccccc3[nH]2 c34b6890a520f2ab45052bb67a52d1bb [0,1,0,0,0,1|2,0,0]=4 3557 B21R3.217517 O[C@@H]1CCCC[C@H]1NCSc2nc3ccccc3s2 534c8103b1bdfe49c05a61f0c428656b [0,1,0,0,0,1|0,0,0]=2 3558 B21R3.217517 O[C@@H]1CCOC[C@@H]1NCSc2nc3ccccc3s2 21d13ef46f36f4195d26dbf3ba11c00f [0,1,0,0,0,1|1,0,0]=3 3559 B21R3.217517 O[C@@H]1CCOC[C@H]1NCSc2nc3ccccc3s2 60a81049326fa70d2743f0977488a792 [0,1,0,0,0,1|1,0,0]=3 3560 B21R3.217517 O[C@@H]1COCC[C@@H]1NCSc2nc3ccccc3s2 e51231517e3235e5196e340b77d5cfd0 [0,1,0,0,0,1|1,0,0]=3 3561 B21R3.217517 O[C@@H]1COCC[C@H]1NCSc2nc3ccccc3s2 412d48b10a662775c6bdba27afaa6dc7 [0,1,0,0,0,1|1,0,0]=3 3562 B21R3.217517 O[C@H]1CCCC[C@@H]1NCCc2cc3ccccc3s2 04a4fc0e1af2a0b139ebf8304a3cd131 [0,1,0,0,0,1|2,0,0]=4 3563 B21R3.217517 O[C@H]1CCCC[C@@H]1NCCc2nc3ccccc3[nH]2 d92ed37f01ea5e9a8de8679e29aa6aa8 [0,1,0,0,0,1|2,0,0]=4 3564 B21R3.217517 O[C@H]1CCCC[C@@H]1NCCc2nc3ccccc3s2 2df48ef98cb6fe8344327b04cdbc0315 [0,1,0,0,0,1|1,0,0]=3 3565 B21R3.217517 O[C@H]1CCCC[C@@H]1NCSc2nc3ccccc3s2 4fafd4c22024406b586e3a47b55df2c8 [0,1,0,0,0,1|0,0,0]=2 3566 B21R3.217517 O[C@H]1CCOC[C@@H]1NCSc2nc3ccccc3s2 ed8660ce32df6ebd0005dbe006020f6c [0,1,0,0,0,1|1,0,0]=3 3567 B21R3.217517 O[C@H]1CCOC[C@H]1NCSc2nc3ccccc3s2 c1a3456199f3843ee16c6f59f40e0297 [0,1,0,0,0,1|1,0,0]=3 3568 B21R3.217517 O[C@H]1COCC[C@@H]1NCSc2nc3ccccc3s2 4bcfb1b31b261770e5dd5d7fc1f13e9b [0,1,0,0,0,1|1,0,0]=3 3569 B21R3.217517 O[C@H]1COCC[C@H]1NCSc2nc3ccccc3s2 748eb65dfd8f4b219e22c1abc8500713 [0,1,0,0,0,1|1,0,0]=3 3570 B21R3.393380 Brc1cccc2c1cc(s2)CNCC3CCCCC3 8b00f2c4c262c638dbf466f6a406a90e [0,1,0,0,0,1|2,0,0]=4 3571 B21R3.393380 Brc1cccc2c1nc(s2)NCOC3CCCCC3 be8b0d7a20bfeb1baf7c6d3d1b7bbc6d [0,1,0,0,0,1|2,0,0]=4 3572 B21R3.393380 Brc1cccc2c1sc(n2)NCOC3CCCCC3 c737f38fe81342c84db7d77653972c16 [0,1,0,0,0,1|2,0,0]=4 3573 B21R3.393380 Cc1cccc2c1nc([nH]2)CCNC3CCCCC3 75dc23adcf39aa00d3d8787774ff4519 [0,1,0,0,0,1|2,0,0]=4 3574 B21R3.393380 Cc1cccc2c1nc([nH]2)CNCC3CCCCC3 81c4f8da8ddc35ef2f025b86af6f04f1 [0,1,0,0,0,1|2,0,0]=4 3575 B21R3.393380 Cc1cccc2c1nc(s2)NCCC3CCCCC3 801d2c5f83bb841d9474ad4e8f770a51 [0,1,0,0,0,1|2,0,0]=4 3576 B21R3.393380 Cc1cccc2c1nc(s2)NCOC3CCCCC3 819a459970cd253a0a5b81252d21249d [0,1,0,0,0,1|2,0,0]=4 3577 B21R3.393380 Cc1cccc2c1nc(s2)OCCC3CCCCC3 dc77daefd3197d8ce5710078eb86a4b2 [0,1,0,0,0,1|1,1,0]=4 3578 B21R3.393380 Cc1cccc2c1nc(s2)OCOC3CCCCC3 34a0886f20fb102ab904a67a32320fc0 [0,1,0,0,0,1|1,1,0]=4 3579 B21R3.393380 Cc1cccc2c1sc(n2)NCCC3CCCCC3 7a4a796bbd85351768d7782adcd6a7bf [0,1,0,0,0,1|2,0,0]=4 3580 B21R3.393380 Cc1cccc2c1sc(n2)NCOC3CCCCC3 5a6ede0c5890087eebeb715c2d9e46a0 [0,1,0,0,0,1|2,0,0]=4 3581 B21R3.393380 Clc1cccc2c1cc(s2)CNCC3CCCCC3 b7ef1a26c7f3cfdb0fcf2002e45a1684 [0,1,0,0,0,1|2,0,0]=4 3582 B21R3.393380 Clc1cccc2c1nc(o2)CNCC3CCCCC3 099d63bc009b9755718747b3a0997cb0 [0,1,0,0,0,1|1,1,0]=4 3583 B21R3.393380 Clc1cccc2c1nc(s2)NCCC3CCCCC3 9b7e2dc7312ebe2af76baf0b701042b2 [0,1,0,0,0,1|2,0,0]=4 3584 B21R3.393380 Clc1cccc2c1nc(s2)NCOC3CCCCC3 e006dcb69bf9f777956190161e1ea359 [0,1,0,0,0,1|2,0,0]=4 3585 B21R3.393380 Clc1cccc2c1sc(n2)NCCC3CCCCC3 28b1ed1ce80b1978784c232e87849ded [0,1,0,0,0,1|2,0,0]=4 3586 B21R3.393380 Clc1cccc2c1sc(n2)NCOC3CCCCC3 4e705f7d966b02eeb1dd14a093bc7d3b [0,1,0,0,0,1|2,0,0]=4 3587 B21R3.393380 Fc1cccc2c1[nH]c(n2)CNCC3CCCCC3 e74390756b0848cfd5d96f820da1bac9 [0,1,0,0,0,1|2,0,0]=4 3588 B21R3.393380 Fc1cccc2c1nc(o2)CNCC3CCCCC3 8044d7dd5a498b5af8de2432d74652c3 [0,1,0,0,0,1|1,1,0]=4 3589 B21R3.393380 Fc1cccc2c1nc(s2)NCCC3CCCCC3 61d873ebc5a8763bbcf020affc238e3e [0,1,0,0,0,1|2,0,0]=4 3590 B21R3.393380 Fc1cccc2c1nc(s2)NCOC3CCCCC3 cfef1aff5a3c2db91a8ab9f1f59a667f [0,1,0,0,0,1|2,0,0]=4 3591 B21R3.393380 Fc1cccc2c1sc(n2)NCCC3CCCCC3 e47bc7adaf42ca331572c0a327ccdc5d [0,1,0,0,0,1|2,0,0]=4 3592 B21R3.393380 Fc1cccc2c1sc(n2)NCOC3CCCCC3 b86051f54e433d75a0f06b240a106435 [0,1,0,0,0,1|2,0,0]=4 3593 B21R3.393380 Ic1cccc2c1nc(s2)NCCC3CCCCC3 253e421c8fd783f965621a3cc7014ff8 [0,1,0,0,0,1|2,0,0]=4 3594 B21R3.393380 Ic1cccc2c1nc(s2)NCOC3CCCCC3 cbe9d47fbc09e74718803fc71edc31d1 [0,1,0,0,0,1|2,0,0]=4 3595 B21R3.520681 CN(Cc1cc2ccccc2s1)CC3CCCCC3 ea1ea6743396a610d7b1221550783fe1 [0,1,0,0,0,1|2,0,0]=4 3596 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 b3ef0bb15579e627ad9a9af3af7ae46d [0,1,0,0,0,1|2,0,0]=4 3597 B21R3.520681 CN(Cc1nc2ccccc2o1)CC3CCCCC3 8f716a9b5e62f56b3976af244c320e35 [0,1,0,0,0,1|1,1,0]=4 3598 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 384c20246f8eb0e1fb7b8762758f16e7 [0,1,0,0,0,1|1,0,0]=3 3599 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 e44b199c715499d9fea729630fb75e1c [0,1,0,0,0,1|2,0,0]=4 3600 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCOC3 b5ada7438e6bc79b1631bfd87ee89538 [0,1,0,0,0,1|2,0,0]=4 3601 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 95b4d80d9e5f5c74aaf959ceb803e359 [0,1,0,0,0,1|2,0,0]=4 3602 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCCOC3 62b8aeb9066fd98e7a8e959012cd305b [0,1,0,0,0,1|2,0,0]=4 3603 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCOCC3 bf18879692b6e86c222b22eb55c2b4b1 [0,1,0,0,0,1|2,0,0]=4 3604 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCSCC3 22361991f5457ef0cf5fd99936cf98f2 [0,1,0,0,0,1|2,0,0]=4 3605 B21R3.520681 O=C(Cc1nc2ccccc2s1)N[C@@H]3CCCOC3 7d31fee057a95265d38c21f6ecacd4a4 [0,1,0,0,0,1|2,0,0]=4 3606 B21R3.520681 O=C(Cc1nc2ccccc2s1)N[C@H]3CCCOC3 ff079e935b9591beec5b61038edb0d03 [0,1,0,0,0,1|2,0,0]=4 3607 B21R3.660661 C=C1CCC(CC1)CNCc2nc3ccccc3s2 6ee56b65cc723117a723e76e3eed005f [0,1,0,0,0,1|1,0,1]=4 3608 B21R3.660661 CC1CCC(CC1)CNCc2cc3ccccc3s2 be8892e74e21fd29d0d2f305426315d2 [0,1,0,0,0,1|2,0,0]=4 3609 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3[nH]2 f1883cda3de8a9c4572899c6ee01e866 [0,1,0,0,0,1|2,0,0]=4 3610 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3o2 35f10a393db4dade9023ecb0f30fb21a [0,1,0,0,0,1|1,1,0]=4 3611 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3s2 73612c98ad98674c766347f3513a3a74 [0,1,0,0,0,1|1,0,0]=3 3612 B21R3.660661 CC1CCC(CC1)COCc2nc3ccccc3s2 a605f4f7971e401683f2cd2bb5a102e0 [0,1,0,0,0,1|1,1,0]=4 3613 B21R3.660661 CC1CCC(CC1)NCCc2cc3ccccc3s2 a915d938365f2ffb7f892d57bf3f6b27 [0,1,0,0,0,1|2,0,0]=4 3614 B21R3.660661 CC1CCC(CC1)NCCc2nc3ccccc3[nH]2 06733ad3aa7143571c223fd636b03966 [0,1,0,0,0,1|2,0,0]=4 3615 B21R3.660661 CC1CCC(CC1)NCCc2nc3ccccc3s2 420a46fdb5c1444e99c44bfe0827373c [0,1,0,0,0,1|1,0,0]=3 3616 B21R3.660661 CC1CCC(CC1)NCSc2nc3ccccc3s2 1771d8aa2585fad9a5d6e41296af35dd [0,1,0,0,0,1|0,0,0]=2 3617 B21R3.660661 CC1CCC(CC1)OCCc2nc3ccccc3s2 2cc0e0ece187b469cad33387bd1b79dd [0,1,0,0,0,1|2,0,0]=4 3618 B21R3.660661 CC1CCC(CC1)OCSc2nc3ccccc3s2 f462969c972a7aa1a2073d46244389ed [0,1,0,0,0,1|1,0,0]=3 3619 B21R3.660661 CN1CCC(CC1)CNCc2nc3ccccc3s2 94acb5df3a442a8c18fe95be814a79d3 [0,1,0,0,0,1|2,0,0]=4 3620 B21R3.660661 CN1CCC(CC1)OCSc2nc3ccccc3s2 93c2e992b05e59c78984430da33f79b8 [0,1,0,0,0,1|2,0,0]=4 3621 B21R3.660661 C[C@H]1CC[C@@H](CC1)COCc2nc3ccccc3s2 8c151f89b00234bb9a7713bd00e291fb [0,1,0,0,0,1|1,1,0]=4 3622 B21R3.660661 C[C@H]1CC[C@@H](CC1)NCCc2cc3ccccc3s2 4464f0d0bd3031ede669c7f45a185aaa [0,1,0,0,0,1|2,0,0]=4 3623 B21R3.660661 C[C@H]1CC[C@@H](CC1)NCCc2nc3ccccc3[nH]2 38a60052c9f4a91b74d48a87af89edbc [0,1,0,0,0,1|2,0,0]=4 3624 B21R3.660661 C[C@H]1CC[C@@H](CC1)NCSc2nc3ccccc3s2 88887410cfbd79a816ffe235ff0412c5 [0,1,0,0,0,1|0,0,0]=2 3625 B21R3.660661 C[C@H]1CC[C@@H](CC1)OCSc2nc3ccccc3s2 865b8892ae02d8ab91a9c94693242935 [0,1,0,0,0,1|1,0,0]=3 3626 B21R3.660661 C[C@H]1CC[C@H](CC1)COCc2nc3ccccc3s2 3185b6f5dabf1edb159bba02c8fe2e31 [0,1,0,0,0,1|1,1,0]=4 3627 B21R3.660661 C[C@H]1CC[C@H](CC1)NCCc2cc3ccccc3s2 a67daa43c0d4841c13af226e50e9105f [0,1,0,0,0,1|2,0,0]=4 3628 B21R3.660661 C[C@H]1CC[C@H](CC1)NCCc2nc3ccccc3[nH]2 e2eb0a4075bb85de66ed73c0d8310a3d [0,1,0,0,0,1|2,0,0]=4 3629 B21R3.660661 C[C@H]1CC[C@H](CC1)NCSc2nc3ccccc3s2 5d73a1c50171589991baa1d1a98032e0 [0,1,0,0,0,1|0,0,0]=2 3630 B21R3.660661 C[C@H]1CC[C@H](CC1)OCSc2nc3ccccc3s2 7abbf1d192d01e6bb7625062e9d28ea8 [0,1,0,0,0,1|1,0,0]=3 3631 B21R3.660661 ClC1CCC(CC1)CNCc2cc3ccccc3s2 e50f34a4117f215711765e9f5b32fb7a [0,1,0,0,0,1|2,0,0]=4 3632 B21R3.660661 ClC1CCC(CC1)CNCc2nc3ccccc3[nH]2 cfe5d1693306e531639a097af594d1cc [0,1,0,0,0,1|2,0,0]=4 3633 B21R3.660661 ClC1CCC(CC1)CNCc2nc3ccccc3o2 2d37479d785d05a90cc6a8a71c0fb397 [0,1,0,0,0,1|1,1,0]=4 3634 B21R3.660661 ClC1CCC(CC1)CNCc2nc3ccccc3s2 7b2a3d5525774431014bd8ad7884ed3c [0,1,0,0,0,1|1,0,0]=3 3635 B21R3.660661 ClC1CCC(CC1)NCCc2cc3ccccc3s2 349a9a2bb2e61bc935f476cdead595d9 [0,1,0,0,0,1|2,0,0]=4 3636 B21R3.660661 ClC1CCC(CC1)NCCc2nc3ccccc3[nH]2 1907ccdbcc897b20389bea6f9e9fc331 [0,1,0,0,0,1|2,0,0]=4 3637 B21R3.660661 ClC1CCC(CC1)NCSc2nc3ccccc3s2 66759e572eef9382206313129d6519c4 [0,1,0,0,0,1|0,0,0]=2 3638 B21R3.660661 Cl[C@H]1CC[C@@H](CC1)NCCc2cc3ccccc3s2 2019357a6f019f43431c79a2c637560a [0,1,0,0,0,1|2,0,0]=4 3639 B21R3.660661 Cl[C@H]1CC[C@@H](CC1)NCCc2nc3ccccc3[nH]2 4313f6d3e5421f9d0b7805d553894e18 [0,1,0,0,0,1|2,0,0]=4 3640 B21R3.660661 Cl[C@H]1CC[C@@H](CC1)NCSc2nc3ccccc3s2 db41595d4bdf08b7dd41a1a583594072 [0,1,0,0,0,1|0,0,0]=2 3641 B21R3.660661 Cl[C@H]1CC[C@H](CC1)NCCc2cc3ccccc3s2 902163030220c963a8854694df3b481f [0,1,0,0,0,1|2,0,0]=4 3642 B21R3.660661 Cl[C@H]1CC[C@H](CC1)NCCc2nc3ccccc3[nH]2 4dd460ae85a3f238c2572dc94d478bb7 [0,1,0,0,0,1|2,0,0]=4 3643 B21R3.660661 Cl[C@H]1CC[C@H](CC1)NCSc2nc3ccccc3s2 a2f9eb9e23a86204b95da2d883b96213 [0,1,0,0,0,1|0,0,0]=2 3644 B21R3.660661 FC1CCC(CC1)OCSc2nc3ccccc3s2 e1c93040844e49e29638a8be0234ade1 [0,1,0,0,0,1|1,0,0]=3 3645 B21R3.660661 F[C@H]1CC[C@@H](CC1)CNCc2cc3ccccc3s2 0a7f72ee7e0e74e9a89f287daa34644d [0,1,0,0,0,1|2,0,0]=4 3646 B21R3.660661 F[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3[nH]2 aa7c6582b7e8e374f282c846ba8c8d91 [0,1,0,0,0,1|2,0,0]=4 3647 B21R3.660661 F[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3o2 26879e24af444e386c854e1b3ea3ad4d [0,1,0,0,0,1|1,1,0]=4 3648 B21R3.660661 F[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3s2 593a3a736ddab686fb50eb890a53d708 [0,1,0,0,0,1|1,0,0]=3 3649 B21R3.660661 F[C@H]1CC[C@H](CC1)CNCc2cc3ccccc3s2 7eb023afbee7aa86d9244d8eac484c71 [0,1,0,0,0,1|2,0,0]=4 3650 B21R3.660661 F[C@H]1CC[C@H](CC1)CNCc2nc3ccccc3[nH]2 a1b72d1cf3ea15daa3039a7a60f257bf [0,1,0,0,0,1|2,0,0]=4 3651 B21R3.660661 F[C@H]1CC[C@H](CC1)CNCc2nc3ccccc3o2 c0765fd80b5d6c117ac95ad6dafc743e [0,1,0,0,0,1|1,1,0]=4 3652 B21R3.660661 F[C@H]1CC[C@H](CC1)CNCc2nc3ccccc3s2 44675c4135fc5875fac731ccbca32a11 [0,1,0,0,0,1|1,0,0]=3 3653 B21R3.660661 O=C1CCC(CC1)CNCc2nc3ccccc3s2 fbf0aac5313ed5ff8985c0a979ef14b7 [0,1,0,0,0,1|1,0,1]=4 3654 B21R3.660661 O=C1CCC(CC1)NCCc2nc3ccccc3s2 03d727d498f527dd0fb19c0429624be9 [0,1,0,0,0,1|1,0,1]=4 3655 B21R3.660661 O=C1CCC(CC1)OCSc2nc3ccccc3s2 6bdbb82f77de587c1adfeda60504f433 [0,1,0,0,0,1|1,0,1]=4 3656 B21R3.660661 O=C1CCC(CN1)NCSc2nc3ccccc3s2 1bc2c9eb8f3531802e8d7ed5f5356268 [0,1,0,0,0,1|1,0,1]=4 3657 B21R3.660661 O=C1CC[C@@H](CN1)NCSc2nc3ccccc3s2 3134727dae74589c508bf951045940bf [0,1,0,0,0,1|1,0,1]=4 3658 B21R3.660661 O=C1CC[C@H](CN1)NCSc2nc3ccccc3s2 e2625350b8b7b30c119b5f4382a7b8ff [0,1,0,0,0,1|1,0,1]=4 3659 B21R3.660661 OC1CCC(CC1)CNCc2cc3ccccc3s2 5a948f75b36bb2f86abd8d2b7ed43f66 [0,1,0,0,0,1|2,0,0]=4 3660 B21R3.660661 OC1CCC(CC1)CNCc2nc3ccccc3[nH]2 a6102131d514869b335613ae85c9eda3 [0,1,0,0,0,1|2,0,0]=4 3661 B21R3.660661 OC1CCC(CC1)CNCc2nc3ccccc3o2 85013ee4e6e3b92e25d342ad44ca7fce [0,1,0,0,0,1|1,1,0]=4 3662 B21R3.660661 OC1CCC(CC1)CNCc2nc3ccccc3s2 a75511c1c4d14c8772b34c063b34c05e [0,1,0,0,0,1|1,0,0]=3 3663 B21R3.660661 OC1CCC(CC1)NCCc2cc3ccccc3s2 64bb0bd70d098c41e6d8f624b3a18a44 [0,1,0,0,0,1|2,0,0]=4 3664 B21R3.660661 OC1CCC(CC1)NCCc2nc3ccccc3[nH]2 d6365cf810b30557a744d62f3b7bf297 [0,1,0,0,0,1|2,0,0]=4 3665 B21R3.660661 OC1CCC(CC1)NCCc2nc3ccccc3s2 832274490b8dbabb3f084c78db96149d [0,1,0,0,0,1|1,0,0]=3 3666 B21R3.660661 OC1CCC(CC1)NCSc2nc3ccccc3s2 81aae695e8fdb9f492340dd216d3bf59 [0,1,0,0,0,1|0,0,0]=2 3667 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2cc3ccccc3s2 051645a305519b0d49dd2b76a9aea283 [0,1,0,0,0,1|2,0,0]=4 3668 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3[nH]2 30b5fa7bcefef2f4ea924e7c4cf132cc [0,1,0,0,0,1|2,0,0]=4 3669 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3o2 c410ff91e8264e8eb00b5f707668833d [0,1,0,0,0,1|1,1,0]=4 3670 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3s2 0dc60f428525e64dd98835e5beda19ef [0,1,0,0,0,1|1,0,0]=3 3671 B21R3.660661 O[C@H]1CC[C@@H](CC1)NCCc2cc3ccccc3s2 a72570507a0b2346e8343c29d18c571e [0,1,0,0,0,1|2,0,0]=4 3672 B21R3.660661 O[C@H]1CC[C@@H](CC1)NCCc2nc3ccccc3[nH]2 5f3abab7d2283035aeace192d89543d7 [0,1,0,0,0,1|2,0,0]=4 3673 B21R3.660661 O[C@H]1CC[C@@H](CC1)NCSc2nc3ccccc3s2 b41cb235a68e84d9f4acae6b4f5bfa77 [0,1,0,0,0,1|0,0,0]=2 3674 B21R3.660661 O[C@H]1CC[C@H](CC1)NCCc2cc3ccccc3s2 5822904374524b1765ed6cdc4b2b7516 [0,1,0,0,0,1|2,0,0]=4 3675 B21R3.660661 O[C@H]1CC[C@H](CC1)NCCc2nc3ccccc3[nH]2 4021aad0481276659d55acc7de86beb2 [0,1,0,0,0,1|2,0,0]=4 3676 B21R3.660661 O[C@H]1CC[C@H](CC1)NCSc2nc3ccccc3s2 d6b09d3b233a1b996927efabb3735d51 [0,1,0,0,0,1|0,0,0]=2 3677 B21R3.2280253 CC(NCC1CCCCC1)c2nc3ccccc3s2 af59296825847588e1a00f4c0bd9af7e [0,1,0,0,0,1|1,0,0]=3 3678 B21R3.2280253 CC(NCC1CCCCO1)c2nc3ccccc3s2 fd0dd0e1098853f8971bc535afe41365 [0,1,0,0,0,1|2,0,0]=4 3679 B21R3.2280253 CC(NCC1CCCOC1)c2nc3ccccc3s2 86bc0ee32e3f13977297f6a1d193813d [0,1,0,0,0,1|2,0,0]=4 3680 B21R3.2280253 CC(NCC1CCOCC1)c2nc3ccccc3s2 d3d8c25673ddb1a449bc5b737caedea5 [0,1,0,0,0,1|2,0,0]=4 3681 B21R3.2280253 CC(NCC1CCSCC1)c2nc3ccccc3s2 6c01456ba15d8d81aed14e402aea43dc [0,1,0,0,0,1|2,0,0]=4 3682 B21R3.2280253 CC(OCC1CCCCC1)c2nc3ccccc3s2 24ee00965b08389dedc0adb6c50518b4 [0,1,0,0,0,1|1,1,0]=4 3683 B21R3.2280253 CN(CCC1CCCCC1)c2nc3ccccc3s2 72f99ff2d8714a4f4b350ed1b3164ae4 [0,1,0,0,0,1|2,0,0]=4 3684 B21R3.2280253 CN(COC1CCCCC1)c2nc3ccccc3s2 1298d6495d115bb1078842ef6cde5c49 [0,1,0,0,0,1|2,0,0]=4 3685 B21R3.2280253 C[C@@H](NCC1CCCCC1)c2nc3ccccc3[nH]2 33fb5327e822ba533b70539481b82f06 [0,1,0,0,0,1|2,0,0]=4 3686 B21R3.2280253 C[C@H](NCC1CCCCC1)c2cc3ccccc3s2 47ebe5a9947ebb8b2bced484d5a2bdf9 [0,1,0,0,0,1|2,0,0]=4 3687 B21R3.2280253 C[C@H](NCC1CCCCC1)c2nc3ccccc3s2 6c5330b25f90f6fe88bdff4e06fc137f [0,1,0,0,0,1|1,0,0]=3 3688 B21R3.2280253 C[C@H](NCC1CCCCO1)c2nc3ccccc3s2 6b43b19250e9d997b0dceba58faa3e40 [0,1,0,0,0,1|2,0,0]=4 3689 B21R3.2280253 C[C@H](NCC1CCCOC1)c2nc3ccccc3s2 0be220bdffb05adfdfa94f7a03b10d24 [0,1,0,0,0,1|2,0,0]=4 3690 B21R3.2280253 C[C@H](NCC1CCOCC1)c2nc3ccccc3s2 778086d83638541ecc2fd2462cbb6bb9 [0,1,0,0,0,1|2,0,0]=4 3691 B21R3.2280253 C[C@H](NCC1CCSCC1)c2nc3ccccc3s2 140470637000668337a2e14fa7103146 [0,1,0,0,0,1|2,0,0]=4 3692 B21R3.2280253 O=C(CNC1CCOCC1)c2nc3ccccc3s2 688e04a1a8ba487a4a77c60ba6439e72 [0,1,0,0,0,1|2,0,0]=4 3693 B21R3.2280253 O=C(COC1CCCCC1)c2nc3ccccc3s2 1f003532d80dd3cfb6f529212cbc7bd7 [0,1,0,0,0,1|2,0,0]=4 3694 B21R3.2280253 O=C(NCC1CCCCC1)c2cc3ccccc3s2 d01c809868a1397e5767c7388c1569b7 [0,1,0,0,0,1|2,0,0]=4 3695 B21R3.2280253 O=C(NCC1CCCCC1)c2nc3ccccc3o2 946e1881319bcf4feb99dd84b37c574a [0,1,0,0,0,1|1,1,0]=4 3696 B21R3.2280253 O=C(NCC1CCCCC1)c2nc3ccccc3s2 57ede7abb8a77f905aa029ebbd89cfcf [0,1,0,0,0,1|1,0,0]=3 3697 B21R3.2280253 O=C(NCC1CCCCC1)c2nc3cccnc3s2 31bcc54930c2538a44e1a5d2fa4375b6 [0,1,0,0,0,1|2,0,0]=4 3698 B21R3.2280253 O=C(NCC1CCCCC1)c2nc3ccncc3s2 482bd87c3711d6f6e2e086af88ea3d17 [0,1,0,0,0,1|2,0,0]=4 3699 B21R3.2280253 O=C(NCC1CCCCC1)c2nc3cnccc3s2 a09751cc3935c64438c84db8100085d5 [0,1,0,0,0,1|2,0,0]=4 3700 B21R3.2280253 O=C(NCC1CCCCO1)c2nc3ccccc3s2 93fdf1f99f171a92db2cf9864df960fd [0,1,0,0,0,1|2,0,0]=4 3701 B21R3.2280253 O=C(NCC1CCCOC1)c2nc3ccccc3s2 623100e6bf62997dcd2a4b073e41e9f3 [0,1,0,0,0,1|2,0,0]=4 3702 B21R3.2280253 O=C(NCC1CCOCC1)c2nc3ccccc3s2 eb053bdea7078000f01da23ac9b0e04c [0,1,0,0,0,1|2,0,0]=4 3703 B21R3.2280253 O=C(NCC1CCSCC1)c2nc3ccccc3s2 4175be4ebd901bcf1679c57143d2d5fa [0,1,0,0,0,1|2,0,0]=4 3704 B21R3.2280253 O=C(NC[C@@H]1CCCOC1)c2nc3ccccc3s2 c6183ae0578631c872c3079e315fdba2 [0,1,0,0,0,1|2,0,0]=4 3705 B21R3.2280253 O=C(NC[C@H]1CCCOC1)c2nc3ccccc3s2 4f189a4a33a5628293257b61c5c907d8 [0,1,0,0,0,1|2,0,0]=4 3706 B21R3.27502517 CC1(CCCCC1)CNCc2cc3ccccc3s2 4cee749a5f7e1cf6d9b73cb2d708e7c3 [0,1,0,0,0,1|2,0,0]=4 3707 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3[nH]2 a1d6d0058d099189030923140f975bdc [0,1,0,0,0,1|2,0,0]=4 3708 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3o2 7e211437d552037ee31658efc32a9651 [0,1,0,0,0,1|1,1,0]=4 3709 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3s2 e9d47374b293f933d74e723ab30e020f [0,1,0,0,0,1|1,0,0]=3 3710 B21R3.27502517 CC1(CCCCC1)COCc2nc3ccccc3s2 21a47cfb83a168498e7d69f99197f6f3 [0,1,0,0,0,1|1,1,0]=4 3711 B21R3.27502517 CC1(CCCCC1)NCCc2cc3ccccc3s2 430903dc3245d47feb254e9c40b421e5 [0,1,0,0,0,1|2,0,0]=4 3712 B21R3.27502517 CC1(CCCCC1)NCCc2nc3ccccc3[nH]2 b144615ea514d41fb311cf964c2795c7 [0,1,0,0,0,1|2,0,0]=4 3713 B21R3.27502517 CC1(CCCCC1)NCSc2nc3ccccc3s2 eb450772e61ccc9415c1233d8c31c68b [0,1,0,0,0,1|0,0,0]=2 3714 B21R3.27502517 CC1(CCOCC1)CNCc2nc3ccccc3s2 3f88e4c9e1032c97248156381c2a9df3 [0,1,0,0,0,1|2,0,0]=4 3715 B21R3.27502517 CC1(CCOCC1)NCSc2nc3ccccc3s2 94506717ad6a58654449f46ddc20a808 [0,1,0,0,0,1|1,0,0]=3 3716 B21R3.27502517 FC1(CCCCC1)COCc2nc3ccccc3s2 15ee1be7ec480fbc4f7f71f26d3ea1f1 [0,1,0,0,0,1|1,1,0]=4 3717 B21R3.27502517 FC1(CCOCC1)CNCc2nc3ccccc3s2 a5ebbd9852fd7a1403a0a765ae7c2f0e [0,1,0,0,0,1|2,0,0]=4 3718 B21R3.27502517 OC1(CCCCC1)CNCc2cc3ccccc3s2 52bdf28cea962d4a15efe2719d18fe5c [0,1,0,0,0,1|2,0,0]=4 3719 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3[nH]2 87b04423676e9cbef193faae81e6c3d0 [0,1,0,0,0,1|2,0,0]=4 3720 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3o2 b3dc77c090d8b19c7635ff33d846aee8 [0,1,0,0,0,1|1,1,0]=4 3721 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3s2 e5efecf2d7ac768ac4e9dc3aff2d8213 [0,1,0,0,0,1|1,0,0]=3 3722 B21R3.27502517 OC1(CCOCC1)CNCc2nc3ccccc3s2 50a7a6c321db9cea9d2335d338abc9ba [0,1,0,0,0,1|2,0,0]=4 3723 B21R3.27502517 OC1(CCSCC1)CNCc2nc3ccccc3s2 f809c325d73bba3735cab40b2ece75e5 [0,1,0,0,0,1|2,0,0]=4 3724 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCCCC3 5d933063a08ca73720246cc6b8e453cf [0,1,0,0,0,1|2,0,0]=4 3725 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCOCC3 480a706b29cc03d70a97553c9dc5f37e [0,1,0,0,0,1|2,0,0]=4 3726 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 077b183d902be9c4819b1ed517da42ce [0,1,0,0,0,1|2,0,0]=4 3727 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCOCC3 310be38cf107ee03c87a5ef284388b49 [0,1,0,0,0,1|2,0,0]=4 3728 B21R3.410258 CC1CCOCCN1CSc2nc3ccccc3s2 2e64fbc899b969403fcd4ca3f60be3bc [0,1,0,0,0,1|2,0,0]=4 3729 B21R3.410258 CC1CCSCCN1CSc2nc3ccccc3s2 91ba7fb79407fd3722a5f099fc79f6be [0,1,0,0,0,1|2,0,0]=4 3730 B21R3.410258 CC1COCCCN1CSc2nc3ccccc3s2 1c3fe8ec0f089b9ec5c1973c04ae0652 [0,1,0,0,0,1|2,0,0]=4 3731 B21R3.410258 O=C1CCCCCC1NCc2cc3ccccc3s2 fccd345af0c805993ffaed6b6903974b [0,1,0,0,0,1|2,0,0]=4 3732 B21R3.410258 O=C1CCCCCC1NCc2nc3ccccc3[nH]2 77e68ccf528b7d4be36882d9ef0d8c2d [0,1,0,0,0,1|2,0,0]=4 3733 B21R3.410258 O=C1CCCCCC1NCc2nc3ccccc3o2 46219d0f67acb25e212b396f974dde7f [0,1,0,0,0,1|1,1,0]=4 3734 B21R3.410258 O=C1CCCCCC1NCc2nc3ccccc3s2 756013e3906caba3dceecdfc8f9e6aac [0,1,0,0,0,1|1,0,0]=3 3735 B21R3.410258 O=C1NCCCCC1NCc2nc3ccccc3s2 a202f0cfcd248594ff8b9d2a5f29e4ff [0,1,0,0,0,1|1,0,1]=4 3736 B21R3.410258 O=C1NCCCC[C@@H]1NCc2nc3ccccc3s2 6247b01c12e14bd4feea1c4a06b471a0 [0,1,0,0,0,1|1,0,1]=4 3737 B21R3.410258 O=C1NCCCC[C@H]1NCc2nc3ccccc3s2 5422727d9cd24f3a7fb933ce8c760b1a [0,1,0,0,0,1|1,0,1]=4 3738 B21R3.410258 O[C@@H]1CCCCC[C@H]1NCc2nc3ccccc3[nH]2 50f689185ff0c2aa9c287dcb89f102d0 [0,1,0,0,0,1|2,0,0]=4 3739 B21R3.410258 O[C@@H]1CCCCC[C@H]1NCc2nc3ccccc3o2 401f0d5182e373566e47045e393c3f52 [0,1,0,0,0,1|1,1,0]=4 3740 B21R3.410258 O[C@@H]1CCCCC[C@H]1NCc2nc3ccccc3s2 5a289582e087c1da7744e40e14e485b3 [0,1,0,0,0,1|1,0,0]=3 3741 B21R3.410258 O[C@H]1CCCCC[C@@H]1NCc2nc3ccccc3[nH]2 42a724717322d6f422eccf4981b3160d [0,1,0,0,0,1|2,0,0]=4 3742 B21R3.410258 O[C@H]1CCCCC[C@@H]1NCc2nc3ccccc3o2 e113fef76904d2e9be7592b7e69f27de [0,1,0,0,0,1|1,1,0]=4 3743 B21R3.410258 O[C@H]1CCCCC[C@@H]1NCc2nc3ccccc3s2 01c3c21cacb336320a8c5629849ebdf6 [0,1,0,0,0,1|1,0,0]=3 3744 B21R3.410258 O[C@H]1CCCCC[C@H]1NCc2nc3ccccc3[nH]2 4bbffc26c8620713639de1be84a30f41 [0,1,0,0,0,1|2,0,0]=4 3745 B21R3.410258 O[C@H]1CCCCC[C@H]1NCc2nc3ccccc3o2 7e701b45348e58b04f3b5d8c4d77ea0b [0,1,0,0,0,1|1,1,0]=4 3746 B21R3.410258 O[C@H]1CCCCC[C@H]1NCc2nc3ccccc3s2 51934c70d39f0b64264f7e6badfbee53 [0,1,0,0,0,1|1,0,0]=3 3747 B21R3.4459756 CC1CN(CCCO1)CSc2nc3ccccc3s2 2d943eaf90d44effe3eb7ed71b7e0e1c [0,1,0,0,0,1|2,0,0]=4 3748 B21R3.4459756 CN1CCCCC(C1)NCc2cc3ccccc3s2 9b550ffa865f930d13100f500b731622 [0,1,0,0,0,1|2,0,0]=4 3749 B21R3.4459756 CN1CCCCC(C1)NCc2nc3ccccc3[nH]2 f340cc8e26bb3c77e464f62cb6c00478 [0,1,0,0,0,1|2,0,0]=4 3750 B21R3.4459756 CN1CCCCC(C1)NCc2nc3ccccc3o2 df32d53c3658e5050f0de7c68f87993b [0,1,0,0,0,1|1,1,0]=4 3751 B21R3.4459756 CN1CCCCC(C1)NCc2nc3ccccc3s2 f5b699c790bb27c9b269eccbe25ad736 [0,1,0,0,0,1|1,0,0]=3 3752 B21R3.4459756 CN1CCCC[C@@H](C1)NCc2cc3ccccc3s2 349a2a25e5292ce6e0e9f25012f7c7c7 [0,1,0,0,0,1|2,0,0]=4 3753 B21R3.4459756 CN1CCCC[C@@H](C1)NCc2nc3ccccc3[nH]2 f1f0c93292d863169a1f37799c2a84d1 [0,1,0,0,0,1|2,0,0]=4 3754 B21R3.4459756 CN1CCCC[C@@H](C1)NCc2nc3ccccc3o2 b92d015f3d9cae15c28788b0ef630759 [0,1,0,0,0,1|1,1,0]=4 3755 B21R3.4459756 CN1CCCC[C@@H](C1)NCc2nc3ccccc3s2 745f589d01b060cd54921211af83c3e1 [0,1,0,0,0,1|1,0,0]=3 3756 B21R3.4459756 CN1CCCC[C@H](C1)NCc2cc3ccccc3s2 d0ec3db6b81dc20ccabefaa48ed394d2 [0,1,0,0,0,1|2,0,0]=4 3757 B21R3.4459756 CN1CCCC[C@H](C1)NCc2nc3ccccc3[nH]2 9aeac2e9ddf1f245f521c5dbe446944d [0,1,0,0,0,1|2,0,0]=4 3758 B21R3.4459756 CN1CCCC[C@H](C1)NCc2nc3ccccc3o2 719a97011ddbdadc64bdca2dc7386247 [0,1,0,0,0,1|1,1,0]=4 3759 B21R3.4459756 CN1CCCC[C@H](C1)NCc2nc3ccccc3s2 b295e356bb66629aadedeb558f9a6a0f [0,1,0,0,0,1|1,0,0]=3 3760 B21R3.4459756 CN1CCOCC(C1)NCc2nc3ccccc3s2 b9b574ff74908d069d6aeab1f21cb83c [0,1,0,0,0,1|2,0,0]=4 3761 B21R3.4459756 CN1CCOC[C@@H](C1)NCc2nc3ccccc3s2 72580da3ece91e98d0bf885c1cc18cdf [0,1,0,0,0,1|2,0,0]=4 3762 B21R3.4459756 CN1CCOC[C@H](C1)NCc2nc3ccccc3s2 94c551d34c4ff5906776d854511de8d4 [0,1,0,0,0,1|2,0,0]=4 3763 B21R3.4459756 FC1COCCN(C1)CSc2nc3ccccc3s2 522fed14507f4dee4a7ee54fcce1068a [0,1,0,0,0,1|2,0,0]=4 3764 B21R3.4459756 F[C@@H]1COCCN(C1)CSc2nc3ccccc3s2 1853a04166ffc20f848d2b85fa63559a [0,1,0,0,0,1|2,0,0]=4 3765 B21R3.4459756 F[C@H]1COCCN(C1)CSc2nc3ccccc3s2 a215ded9093f08de93ba246e5676cad0 [0,1,0,0,0,1|2,0,0]=4 3766 B21R3.4459756 OC1COCCN(C1)CSc2nc3ccccc3s2 2e72193aa0e4d496ab243ffdc146e2cf [0,1,0,0,0,1|2,0,0]=4 3767 B21R3.4459756 O[C@@H]1COCCN(C1)CSc2nc3ccccc3s2 078894f1a846da33f3f45dd8306349b2 [0,1,0,0,0,1|2,0,0]=4 3768 B21R3.4459756 O[C@H]1COCCN(C1)CSc2nc3ccccc3s2 22b378a4697eb9d508496e65a74de978 [0,1,0,0,0,1|2,0,0]=4 3769 B21R3.4478534 CC1CCCN(CC1)CSc2nc3ccccc3s2 9772a75d3c64331035ffdc688db68089 [0,1,0,0,0,1|2,0,0]=4 3770 B21R3.4478534 CN1CCCC(CC1)NCc2cc3ccccc3s2 7bf57e3fa6ec3ce7edf03a22f1d836f5 [0,1,0,0,0,1|2,0,0]=4 3771 B21R3.4478534 CN1CCCC(CC1)NCc2nc3ccccc3[nH]2 892443b441e52f390c34a9490b9eb5d4 [0,1,0,0,0,1|2,0,0]=4 3772 B21R3.4478534 CN1CCCC(CC1)NCc2nc3ccccc3o2 f4c2d0765e31dadc662ddb810028da34 [0,1,0,0,0,1|1,1,0]=4 3773 B21R3.4478534 CN1CCCC(CC1)NCc2nc3ccccc3s2 e61844dc8bde1f58a88d72778a27b836 [0,1,0,0,0,1|1,0,0]=3 3774 B21R3.4478534 CN1CCCC(CC1)OCc2nc3ccccc3s2 506966a68bd94a82894bf7230c7a513b [0,1,0,0,0,1|2,0,0]=4 3775 B21R3.4478534 CN1CCCN(CC1)CSc2nc3ccccc3s2 d68f7072803cc8900131f7d0f5d464c8 [0,1,0,0,0,1|2,0,0]=4 3776 B21R3.4478534 CN1CCC[C@@H](CC1)OCc2nc3ccccc3s2 3ef67b4ce6b9fa247b603db01fedbf8d [0,1,0,0,0,1|2,0,0]=4 3777 B21R3.4478534 CN1CCC[C@H](CC1)OCc2nc3ccccc3s2 33d45c95ca94d7be2ede99e5005b0adb [0,1,0,0,0,1|2,0,0]=4 3778 B21R3.4478534 FC1CCCN(CC1)CSc2nc3ccccc3s2 f9003a50a42a71d135fadb2232e736ef [0,1,0,0,0,1|2,0,0]=4 3779 B21R3.4478534 O=C1CCCN(CC1)CSc2nc3ccccc3s2 0764e2145a88c26abd7f15dc8751eb3a [0,1,0,0,0,1|2,0,0]=4 3780 B21R3.4478534 OC1CCCN(CC1)CSc2nc3ccccc3s2 f1656a3a34d62f347fb2b0a5efacfe44 [0,1,0,0,0,1|2,0,0]=4 3781 B21R3.4478534 O[C@@H]1CCCN(CC1)CSc2nc3ccccc3s2 ffeac32e9d1e262aef2560f086c8c95f [0,1,0,0,0,1|2,0,0]=4 3782 B21R3.4478534 O[C@H]1CCCN(CC1)CSc2nc3ccccc3s2 30b5ccff54d17db26289171fbf265b1d [0,1,0,0,0,1|2,0,0]=4 3783 B21R3.6745369 Brc1cccc2c1nc(s2)NCC3CCCCCC3 dadc534a99495a90b1b542f1e9a1328e [0,1,0,0,0,1|2,0,0]=4 3784 B21R3.6745369 Brc1cccc2c1sc(n2)NCC3CCCCCC3 bdc7b7867cf4f33aa795fa88a8a43d72 [0,1,0,0,0,1|2,0,0]=4 3785 B21R3.6745369 Cc1cccc2c1nc([nH]2)CNC3CCCCCC3 8f37ff3f2eaa27489bf914db07d811ba [0,1,0,0,0,1|2,0,0]=4 3786 B21R3.6745369 Cc1cccc2c1nc([nH]2)CNC3CCCOCC3 c2f42746f3049b19900fbe6498e59b0f [0,1,0,0,0,1|2,0,0]=4 3787 B21R3.6745369 Cc1cccc2c1nc(s2)NCC3CCCCCC3 dfa5d6418d62950acb70120bc56b7993 [0,1,0,0,0,1|2,0,0]=4 3788 B21R3.6745369 Cc1cccc2c1nc(s2)OCC3CCCCCC3 df6a973ff244b1e9b7f2bf5de36b4b7b [0,1,0,0,0,1|1,1,0]=4 3789 B21R3.6745369 Cc1cccc2c1sc(n2)NCC3CCCCCC3 59b89d0d696f0b7764a8bf45bc698e7b [0,1,0,0,0,1|2,0,0]=4 3790 B21R3.6745369 Clc1cccc2c1cc(s2)CNC3CCCCCC3 d1d8d20de60624627a7061ed2d72ee92 [0,1,0,0,0,1|2,0,0]=4 3791 B21R3.6745369 Clc1cccc2c1cc(s2)CNC3CCCOCC3 6af03cf3dab38f15106afd4fc8188aba [0,1,0,0,0,1|2,0,0]=4 3792 B21R3.6745369 Clc1cccc2c1nc(o2)CNC3CCCOCC3 d258e1164e1a3de39f42bfa76a3b6985 [0,1,0,0,0,1|1,1,0]=4 3793 B21R3.6745369 Clc1cccc2c1nc(s2)NCC3CCCCCC3 9a4af23cb901b7ab367e34a593ce35bd [0,1,0,0,0,1|2,0,0]=4 3794 B21R3.6745369 Clc1cccc2c1sc(n2)NCC3CCCCCC3 5cd2ad08ec1d65d4069076bc2df85314 [0,1,0,0,0,1|2,0,0]=4 3795 B21R3.6745369 Fc1cccc2c1nc(s2)COC3CCCCCC3 c9557f6544811e47bf9ef93605e5ecc4 [0,1,0,0,0,1|2,0,0]=4 3796 B21R3.6745369 Fc1cccc2c1nc(s2)COC3CCCOCC3 ab8b3c7b0e5f2331819329200da7d398 [0,1,0,0,0,1|2,0,0]=4 3797 B21R3.6745369 Fc1cccc2c1nc(s2)NCC3CCCCCC3 eb4e01d5d6f33a99d73db773240a438d [0,1,0,0,0,1|2,0,0]=4 3798 B21R3.6745369 Fc1cccc2c1oc(n2)CNC3CCCOCC3 bfb34f9f2109a8a707caf7cb563836ae [0,1,0,0,0,1|1,1,0]=4 3799 B21R3.6745369 Fc1cccc2c1sc(n2)NCC3CCCCCC3 d70d3cbb234cea43a9c367d8b339fb90 [0,1,0,0,0,1|2,0,0]=4 3800 B21R3.6745369 Ic1cccc2c1nc(s2)NCC3CCCCCC3 b63e8a3ccc288d42cecbea3bc92e964a [0,1,0,0,0,1|2,0,0]=4 3801 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCCCC3 621755f967b4f77c574843ed53754ae4 [0,1,0,0,0,1|2,0,0]=4 3802 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 9ce5f1b8b2df895035fffa0a210e3f3c [0,1,0,0,0,1|2,0,0]=4 3803 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCOCC3 fdaef2c4fbb2b3a97265450cb369b127 [0,1,0,0,0,1|2,0,0]=4 3804 B21R3.8008928 CN(Cc1nc2ccccc2o1)C3CCCCCC3 0bab1c9c8a897d90d30986bc9e7656e6 [0,1,0,0,0,1|1,1,0]=4 3805 B21R3.8008928 CN(Cc1nc2ccccc2o1)C3CCCOCC3 a387437cc083f412f7681f4abb4fc0d7 [0,1,0,0,0,1|1,1,0]=4 3806 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 8459bbc8955006d5551c1241b5425d37 [0,1,0,0,0,1|1,0,0]=3 3807 B21R3.25251354 CC1(CCCCCC1)NCc2cc3ccccc3s2 113867f81418621351bc7b19377f9e02 [0,1,0,0,0,1|2,0,0]=4 3808 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3[nH]2 9b25a62517d0cbbc0b79442f708ef1c6 [0,1,0,0,0,1|2,0,0]=4 3809 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3o2 72a0ac3f2fc26107e2a40454a3c177b7 [0,1,0,0,0,1|1,1,0]=4 3810 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3s2 e470844fa22a8bf50d5bb8da00e3da57 [0,1,0,0,0,1|1,0,0]=3 3811 B21R3.28029735 Brc1ccc2nc(sc2c1)CNC3CCCCCC3 652ecaf2d53e497698b8756d47e07a02 [0,1,0,0,0,1|1,0,0]=3 3812 B21R3.28029735 Brc1ccc2nc(sc2c1)CNC3CCCOCC3 33b05ea16f0f99f776e55d0f0217102b [0,1,0,0,0,1|1,0,0]=3 3813 B21R3.28029735 Brc1ccc2nc(sc2c1)NCC3CCCCCC3 62bf4f79168e9d9b27b208fb802b9337 [0,1,0,0,0,1|2,0,0]=4 3814 B21R3.28029735 Brc1ccc2sc(nc2c1)NCC3CCCCCC3 ccb6668c3b44f2e3a33984046a92d967 [0,1,0,0,0,1|2,0,0]=4 3815 B21R3.28029735 Cc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 8f7ed27ae3b5660fcac1cec663e99afe [0,1,0,0,0,1|2,0,0]=4 3816 B21R3.28029735 Cc1ccc2[nH]c(nc2c1)CNC3CCCOCC3 251c8b7bc10761517c8f0a8fecb8d2ba [0,1,0,0,0,1|2,0,0]=4 3817 B21R3.28029735 Cc1ccc2nc(oc2c1)CNC3CCCCCC3 efaa1d429f9c193d3c164e56a73dd2c8 [0,1,0,0,0,1|1,1,0]=4 3818 B21R3.28029735 Cc1ccc2nc(oc2c1)CNC3CCCOCC3 5f2f0adc175f74cbf7d8d8c928c6f38b [0,1,0,0,0,1|1,1,0]=4 3819 B21R3.28029735 Cc1ccc2nc(sc2c1)NCC3CCCCCC3 fa7b86bff898b19247432956311d44e5 [0,1,0,0,0,1|2,0,0]=4 3820 B21R3.28029735 Cc1ccc2nc(sc2c1)OCC3CCCCCC3 508addccda34d018962887043b2aace2 [0,1,0,0,0,1|1,1,0]=4 3821 B21R3.28029735 Cc1ccc2oc(nc2c1)CNC3CCCCCC3 96f926f9adc2b397bf53f00a4c685f05 [0,1,0,0,0,1|1,1,0]=4 3822 B21R3.28029735 Cc1ccc2oc(nc2c1)CNC3CCCOCC3 a11a62534dcbc480af2372bf0bf1c10a [0,1,0,0,0,1|1,1,0]=4 3823 B21R3.28029735 Cc1ccc2sc(nc2c1)NCC3CCCCCC3 42f6bc7481fb095c7a8ae1fe49df6408 [0,1,0,0,0,1|2,0,0]=4 3824 B21R3.28029735 Clc1ccc2nc([nH]c2c1)CNC3CCCCCC3 171e155361ad563e326f79e1807df00a [0,1,0,0,0,1|2,0,0]=4 3825 B21R3.28029735 Clc1ccc2nc([nH]c2c1)CNC3CCCOCC3 291b95dd968327d7301cb890e89ce81f [0,1,0,0,0,1|2,0,0]=4 3826 B21R3.28029735 Clc1ccc2nc(oc2c1)CNC3CCCCCC3 02d15fc9d455eb52422e0322c1842284 [0,1,0,0,0,1|1,1,0]=4 3827 B21R3.28029735 Clc1ccc2nc(oc2c1)CNC3CCCOCC3 7dadf6f8b620621e4d670aee70d5dc3c [0,1,0,0,0,1|1,1,0]=4 3828 B21R3.28029735 Clc1ccc2nc(sc2c1)CNC3CCCCCC3 10efa81b219e8020e4e58e83af502b3d [0,1,0,0,0,1|1,0,0]=3 3829 B21R3.28029735 Clc1ccc2nc(sc2c1)CNC3CCCOCC3 4cf831b83f3ba681bd9188bd4eed3c46 [0,1,0,0,0,1|1,0,0]=3 3830 B21R3.28029735 Clc1ccc2nc(sc2c1)NCC3CCCCCC3 e0351761f23da1569ad443d87145ef64 [0,1,0,0,0,1|2,0,0]=4 3831 B21R3.28029735 Clc1ccc2nc(sc2c1)OCC3CCCCCC3 b98a6182f06cf09483cbaeef669a6feb [0,1,0,0,0,1|1,1,0]=4 3832 B21R3.28029735 Clc1ccc2oc(nc2c1)CNC3CCCCCC3 f187fc5f0446809f0a279c029e1d21c9 [0,1,0,0,0,1|1,1,0]=4 3833 B21R3.28029735 Clc1ccc2oc(nc2c1)CNC3CCCOCC3 670428d02b8ee8369f03a29e6b0cde4d [0,1,0,0,0,1|1,1,0]=4 3834 B21R3.28029735 Clc1ccc2sc(cc2c1)CNC3CCCCCC3 0a358d150249f0af6895cec9b1510181 [0,1,0,0,0,1|2,0,0]=4 3835 B21R3.28029735 Clc1ccc2sc(cc2c1)CNC3CCCOCC3 c06c60dceac0b1af829ed1caa8f48698 [0,1,0,0,0,1|2,0,0]=4 3836 B21R3.28029735 Clc1ccc2sc(nc2c1)NCC3CCCCCC3 cb9d1b2f5ea3d081d1d492852519b754 [0,1,0,0,0,1|2,0,0]=4 3837 B21R3.28029735 Clc1cnc2sc(nc2c1)CNC3CCCCCC3 d7b21ea94ed802fbe9a337202cd0c165 [0,1,0,0,0,1|2,0,0]=4 3838 B21R3.28029735 Clc1cnc2sc(nc2c1)CNC3CCCOCC3 80341f04225a75de0250ab0a6ab9437a [0,1,0,0,0,1|2,0,0]=4 3839 B21R3.28029735 Fc1ccc2nc([nH]c2c1)CNC3CCCCCC3 670126a9d8c08f17977c03089221c778 [0,1,0,0,0,1|2,0,0]=4 3840 B21R3.28029735 Fc1ccc2nc([nH]c2c1)CNC3CCCOCC3 3f817d17c44d14a0bbf2afd6f2e95d5a [0,1,0,0,0,1|2,0,0]=4 3841 B21R3.28029735 Fc1ccc2nc(oc2c1)CNC3CCCCCC3 d6fa7c4bc59afe7a9716423afea9325c [0,1,0,0,0,1|1,1,0]=4 3842 B21R3.28029735 Fc1ccc2nc(oc2c1)CNC3CCCOCC3 5d6e161461facdf59c315869a84aca72 [0,1,0,0,0,1|1,1,0]=4 3843 B21R3.28029735 Fc1ccc2nc(sc2c1)COC3CCCCCC3 bc9ff4bf06a6778e2dff73893507549d [0,1,0,0,0,1|2,0,0]=4 3844 B21R3.28029735 Fc1ccc2nc(sc2c1)COC3CCCOCC3 305ca71696074f32340bfb0d9e6ff47a [0,1,0,0,0,1|2,0,0]=4 3845 B21R3.28029735 Fc1ccc2nc(sc2c1)NCC3CCCCCC3 fc86d0b1058aa5c8fdae15b5a2331ddf [0,1,0,0,0,1|2,0,0]=4 3846 B21R3.28029735 Fc1ccc2nc(sc2c1)OCC3CCCCCC3 78479bb1a9c1a2b1eccbc423a25eb696 [0,1,0,0,0,1|1,1,0]=4 3847 B21R3.28029735 Fc1ccc2sc(nc2c1)CNC3CCC=CCC3 820a836dc7cc2bcfa37e72ea1bc19a6a [0,1,0,0,0,1|1,0,1]=4 3848 B21R3.28029735 Fc1ccc2sc(nc2c1)CNC3CCCCCC3 02ec373ebb390b240b9b725943bf1337 [0,1,0,0,0,1|1,0,0]=3 3849 B21R3.28029735 Fc1ccc2sc(nc2c1)CNC3CCCOCC3 f360516b4b9ca1d863a6eba5c5163973 [0,1,0,0,0,1|1,0,0]=3 3850 B21R3.28029735 Fc1ccc2sc(nc2c1)COC3CCCCCC3 e3f731e5a53a6510b12d80e51f1c9cb5 [0,1,0,0,0,1|2,0,0]=4 3851 B21R3.28029735 Fc1ccc2sc(nc2c1)COC3CCCOCC3 a6460950d44f162fda12727d6cee8f5d [0,1,0,0,0,1|2,0,0]=4 3852 B21R3.28029735 Fc1ccc2sc(nc2c1)NCC3CCCCCC3 5752d4194c78e45b493f115a8f4a85bc [0,1,0,0,0,1|2,0,0]=4 3853 B21R3.28029735 Ic1ccc2nc(sc2c1)NCC3CCCCCC3 6d2b4d1695bb7a2f09c2d9d5edfe87ad [0,1,0,0,0,1|2,0,0]=4 3854 B21R3.43738356 CC(NC1CCCCCC1)c2nc3ccccc3s2 d501533ea0d0fc7a04dd1702c8e94453 [0,1,0,0,0,1|1,0,0]=3 3855 B21R3.43738356 CC(NC1CCCOCC1)c2nc3ccccc3s2 c607f0998c6fb2ce86078979d53e4e2f [0,1,0,0,0,1|1,0,0]=3 3856 B21R3.43738356 CN(CC1CCCCCC1)c2nc3ccccc3s2 5e83ab86764f8efe80f8ed638a67b2aa [0,1,0,0,0,1|2,0,0]=4 3857 B21R3.43738356 C[C@@H](NC1CCCCCC1)c2nc3ccccc3[nH]2 3754432ed5f6eeb3eec63051e0ef8425 [0,1,0,0,0,1|2,0,0]=4 3858 B21R3.43738356 C[C@@H](NC1CCCOCC1)c2nc3ccccc3[nH]2 e7c678b82295d9c0e3d8be5450b3623c [0,1,0,0,0,1|2,0,0]=4 3859 B21R3.43738356 C[C@H](NC1CCCCCC1)c2nc3ccccc3s2 dd5e5520a7d1750b3727d619041f0c47 [0,1,0,0,0,1|1,0,0]=3 3860 B21R3.43738356 C[C@H](NC1CCCOCC1)c2cc3ccccc3s2 7504c53cf243368a68939b16baf785c5 [0,1,0,0,0,1|2,0,0]=4 3861 B21R3.43738356 C[C@H](NC1CCCOCC1)c2nc3ccccc3s2 1183c574508cef8a67df65103ed7a346 [0,1,0,0,0,1|1,0,0]=3 3862 B21R3.43738356 O=C(NC1CCC=CCC1)c2nc3ccccc3s2 675587543ceefc0d7eea0db5fc14ed2d [0,1,0,0,0,1|1,0,1]=4 3863 B21R3.43738356 O=C(NC1CCCCCC1)c2cc3ccccc3s2 9f012bc4ffad47762f18a44e5bc976cb [0,1,0,0,0,1|2,0,0]=4 3864 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3ccccc3o2 354fa8a4ab4fa1441113dbcc11d8756c [0,1,0,0,0,1|1,1,0]=4 3865 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3ccccc3s2 b036d5c7ba2b2c1d5b6b129d7dd5e2de [0,1,0,0,0,1|1,0,0]=3 3866 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3cccnc3s2 273ac5e9d266f1736bf1ad9f6cfcb492 [0,1,0,0,0,1|2,0,0]=4 3867 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3ccncc3s2 950023f31c4a23d9775b4b43216b44e2 [0,1,0,0,0,1|2,0,0]=4 3868 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3cnccc3s2 77dc7c66c932f6cdc4b1c4ee7a6dcfd0 [0,1,0,0,0,1|2,0,0]=4 3869 B21R3.43738356 O=C(NC1CCCOCC1)c2cc3ccccc3s2 7d9694fc833fc54366273a9713d1b5c8 [0,1,0,0,0,1|2,0,0]=4 3870 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3ccccc3o2 e3b82fc3ef4d274ca0e6fea300485c26 [0,1,0,0,0,1|1,1,0]=4 3871 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3ccccc3s2 a8453877d876a0ff49bbdd8d66e43689 [0,1,0,0,0,1|1,0,0]=3 3872 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3cccnc3s2 05a326ec9b16a0b5f053870b59f12e41 [0,1,0,0,0,1|2,0,0]=4 3873 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3ccncc3s2 96e8328e6afbe183d4893bc78b15f1fc [0,1,0,0,0,1|2,0,0]=4 3874 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3cnccc3s2 ec32507ded4847c0f2db85af79651f95 [0,1,0,0,0,1|2,0,0]=4 3875 B21R3.2935 CCn1c(nc2c1cccc2)CNC3CCCCC3 700cc10692713614dbaf1521a6f336dd [0,2,0,0,0,0|2,0,0]=4 3876 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 057b027ce1b91f61ec1d9303ae9fd64a [0,2,0,0,0,0|2,0,0]=4 3877 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Cl 26d268f650c8072de5e1ca9b50e0b633 [0,2,0,0,0,0|2,0,0]=4 3878 B21R3.7872 C[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3n2C d56bbca1700e4951e04fca5800d895bf [0,2,0,0,0,0|2,0,0]=4 3879 B21R3.7872 C[C@@H]1CCC[C@H](C1)NCc2sc3ccccc3c2Cl a6b0906f02f6acbcb2d2caaa46d2c353 [0,2,0,0,0,0|2,0,0]=4 3880 B21R3.7872 Cn1c(nc2c1cccc2)CNC3CCCC(C3)O 746703946fefc64d13c2fd5309cffa14 [0,2,0,0,0,0|2,0,0]=4 3881 B21R3.7872 Cn1c(nc2c1cccc2)CN[C@@H]3CCC[C@@H](C3)O dffb8721d906aa4d70f84e7754938890 [0,2,0,0,0,0|2,0,0]=4 3882 B21R3.7872 Cn1c(nc2c1cccc2)CN[C@@H]3CCC[C@H](C3)O 180f9e9ed12f36754f2004d3b2937437 [0,2,0,0,0,0|2,0,0]=4 3883 B21R3.7872 Cn1c(nc2c1cccc2)CN[C@H]3CCC[C@@H](C3)O 0c4ee0e9e02aba1d84993b00f6c3111c [0,2,0,0,0,0|2,0,0]=4 3884 B21R3.7872 Cn1c(nc2c1cccc2)CN[C@H]3CCC[C@H](C3)O c6421ead0089e6e11ccb580f46fe0695 [0,2,0,0,0,0|2,0,0]=4 3885 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Cl 9f2c543a061a78d418849e239cd2797e [0,2,0,0,0,0|2,0,0]=4 3886 B21R3.7872 O[C@@H]1CCC[C@@H](C1)NCc2sc3ccccc3c2Cl 88fbf58947c2ffbfeb857ed505bddee1 [0,2,0,0,0,0|2,0,0]=4 3887 B21R3.7872 O[C@@H]1CCC[C@H](C1)NCc2sc3ccccc3c2Cl b280ae22c38fb7b427e7a79e83c3dd2d [0,2,0,0,0,0|2,0,0]=4 3888 B21R3.7872 O[C@H]1CCC[C@@H](C1)NCc2sc3ccccc3c2Cl df68d57e8f1f2b4f07d5d5dec08ea5cf [0,2,0,0,0,0|2,0,0]=4 3889 B21R3.7872 O[C@H]1CCC[C@H](C1)NCc2sc3ccccc3c2Cl bcbb2ea573913c0b1deb82c105b6381f [0,2,0,0,0,0|2,0,0]=4 3890 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C d9dc8e59085c3dea81a134f937c4b5a6 [0,2,0,0,0,0|2,0,0]=4 3891 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Cl 9d91e53f9cb1685807b794e1d6458ffd [0,2,0,0,0,0|2,0,0]=4 3892 B21R3.8338 C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3n2C afcf72adce77638c58ed0bc824271584 [0,2,0,0,0,0|2,0,0]=4 3893 B21R3.8338 C[C@@H]1CCCC[C@@H]1NCc2sc3ccccc3c2Cl 37a75c5f5ed820670961503509b82656 [0,2,0,0,0,0|2,0,0]=4 3894 B21R3.8338 C[C@@H]1CCCC[C@H]1NCc2nc3ccccc3n2C 2e80b7f8baefd524339ce12b4bea60be [0,2,0,0,0,0|2,0,0]=4 3895 B21R3.8338 C[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 6678e0803cd50e985d72d62fdc39d62f [0,2,0,0,0,0|2,0,0]=4 3896 B21R3.8338 C[C@H]1CCCC[C@@H]1NCc2nc3ccccc3n2C 274c995c0b8d191037176f496b3e3f1c [0,2,0,0,0,0|2,0,0]=4 3897 B21R3.8338 C[C@H]1CCCC[C@@H]1NCc2sc3ccccc3c2Cl 7ddabc0277e2fc0b860bd136b883229d [0,2,0,0,0,0|2,0,0]=4 3898 B21R3.8338 C[C@H]1CCCC[C@H]1NCc2nc3ccccc3n2C 4175726b5cf0e5b3ad3177471f5a6804 [0,2,0,0,0,0|2,0,0]=4 3899 B21R3.8338 C[C@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 27924f0c476f62231199876abcd30068 [0,2,0,0,0,0|2,0,0]=4 3900 B21R3.8338 Cn1c(nc2c1cccc2)CNC3CCCCC3F fbfbeff8bd3a953af97ed127d1f842d0 [0,2,0,0,0,0|2,0,0]=4 3901 B21R3.8338 Cn1c(nc2c1cccc2)CNC3CCCCC3O 308d36eda77ea9d6737988a70fe0eb5a [0,2,0,0,0,0|2,0,0]=4 3902 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@H]3O 0f50422924f868a501170f3fe32411a6 [0,2,0,0,0,0|2,0,0]=4 3903 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@H]3CCCC[C@@H]3O 8174cd04bf685a388b903333a0f88d38 [0,2,0,0,0,0|2,0,0]=4 3904 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@H]3CCCC[C@H]3O 445e91cf336146a98850133ead8adf9b [0,2,0,0,0,0|2,0,0]=4 3905 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 9338211570377271dfd102891f60e748 [0,2,0,0,0,0|2,0,0]=4 3906 B21R3.13081 CN(Cc1sc2ccccc2c1Cl)C3CCCCC3 a7cfa930b864e3437f5e7e60949b64fd [0,2,0,0,0,0|2,0,0]=4 3907 B21R3.29713 CC1CCC(CC1)NCc2nc3ccccc3n2C 60b923dac2858f7a7d7719fb44bf272a [0,2,0,0,0,0|2,0,0]=4 3908 B21R3.29713 CC1CCC(CC1)NCc2sc3ccccc3c2Cl 013a2a1746ac92e4944decbf1b5acf80 [0,2,0,0,0,0|2,0,0]=4 3909 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl a13f02533a3279773729270649c54ed6 [0,2,0,0,0,0|2,0,0]=4 3910 B21R3.29713 C[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Cl f9f89eebe689d92ab69d485e0548f2e5 [0,2,0,0,0,0|2,0,0]=4 3911 B21R3.29713 Clc1c(sc2c1cccc2)CNC3CCC(CC3)Cl b8c203a9c86e3c32d44b77758add3762 [0,2,0,0,0,0|2,0,0]=4 3912 B21R3.29713 Clc1c(sc2c1cccc2)CN[C@H]3CC[C@@H](CC3)Cl 2718a32c6b0e3eb892dc6057c714e300 [0,2,0,0,0,0|2,0,0]=4 3913 B21R3.29713 Clc1c(sc2c1cccc2)CN[C@H]3CC[C@H](CC3)Cl aefea7df21ac34c901a5d11a4cd6660a [0,2,0,0,0,0|2,0,0]=4 3914 B21R3.29713 Cn1c(nc2c1cccc2)CNC3CCC(CC3)Cl c5a02fe70d0658be3e5b3018791c4975 [0,2,0,0,0,0|2,0,0]=4 3915 B21R3.29713 Cn1c(nc2c1cccc2)CNC3CCC(CC3)O 4dd315545a0ad3d41427d27826aa1fff [0,2,0,0,0,0|2,0,0]=4 3916 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C fc07ab4fb5ad15f73f5dc63a5c1fb93f [0,2,0,0,0,0|2,0,0]=4 3917 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)Cl d909ba3ef3c33e7031c60909dcdfa06b [0,2,0,0,0,0|2,0,0]=4 3918 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)O 6dbe910257e1a832ad9706d8de2a24e3 [0,2,0,0,0,0|2,0,0]=4 3919 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)C 6dba26334d7eb71fbd263be7489edb14 [0,2,0,0,0,0|2,0,0]=4 3920 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)Cl 70d4d7bf7606f94f6f1679de848532a7 [0,2,0,0,0,0|2,0,0]=4 3921 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)O e538b237cfd52c4c08c58abb4c4a4512 [0,2,0,0,0,0|2,0,0]=4 3922 B21R3.29713 OC1CCC(CC1)NCc2sc3ccccc3c2Cl 2bed36e99e0a96d8f3ea3902a699fbaa [0,2,0,0,0,0|2,0,0]=4 3923 B21R3.29713 O[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Cl 8758ababc8a85a72b831a5a267893df4 [0,2,0,0,0,0|2,0,0]=4 3924 B21R3.29713 O[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Cl b734f123a8412a0e9e32a052fb59711d [0,2,0,0,0,0|2,0,0]=4 3925 B21R3.393362 Cc1cccc2c1nc(n2C)CNC3CCCCC3 27a283fb2d7d17f5323f9c2c25eeb46d [0,2,0,0,0,0|2,0,0]=4 3926 B21R3.437727 Cc1ccc2c(c1)nc(n2C)CNC3CCCCC3 d2d79e479c4bbc0f444bd07c40481392 [0,2,0,0,0,0|2,0,0]=4 3927 B21R3.4973811 CC1(CCCCC1)NCc2sc3ccccc3c2Cl 6c0f69737c339e7e2ee802eaf9fe1336 [0,2,0,0,0,0|2,0,0]=4 3928 B21R3.4973811 Cn1c(nc2c1cccc2)CNC3(CCCCC3)C 3750d65a871c999578643bdd2591b88d [0,2,0,0,0,0|2,0,0]=4 3929 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)C3CCCCC3 5af9a2e8b12b7c6b4508d0f5e31ba119 [0,2,0,0,0,0|2,0,0]=4 3930 B21R3.2502 CCN(Cc1nc2ccccc2o1)C3CCCCC3 5340d1cc550f877568e955819b6572b0 [0,2,0,0,0,0|1,1,0]=4 3931 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCCCC3 8e0f29194b2014220e768d77548eebd3 [0,2,0,0,0,0|1,0,0]=3 3932 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCOCC3 5295b288ec51dbfe382f673f1e65f2ca [0,2,0,0,0,0|2,0,0]=4 3933 B21R3.2502 OCC(Nc1nc2ccccc2s1)C3CCCCC3 33c279f4fdeb8f6cb21f316c5b1d9a62 [0,2,0,0,0,0|2,0,0]=4 3934 B21R3.2502 OCN(Sc1nc2ccccc2s1)C3CCCCC3 caca78d0e6c45d6735bb96f4b16fbd17 [0,2,0,0,0,0|0,0,0]=2 3935 B21R3.2502 OC[C@@H](Nc1nc2ccccc2s1)C3CCCCC3 1a57c116ab4d7ab0ba52d8f73bdb2f02 [0,2,0,0,0,0|2,0,0]=4 3936 B21R3.2502 OC[C@H](Nc1nc2ccccc2s1)C3CCCCC3 c75827cbe400115ec9595cb1ad065da5 [0,2,0,0,0,0|2,0,0]=4 3937 B21R3.154841 CC(Nc1nc2ccc(cc2s1)Br)C3CCCCC3 9d8360f3396ab880175ca7c10e8f6898 [0,2,0,0,0,0|2,0,0]=4 3938 B21R3.154841 CC(Nc1nc2ccc(cc2s1)Cl)C3CCCCC3 43ce177e193a11c87be159ab839dcfe6 [0,2,0,0,0,0|2,0,0]=4 3939 B21R3.154841 CC(Nc1nc2ccc(cc2s1)F)C3CCCCC3 d278ced2a1b89ccd28e5f9a70d7258db [0,2,0,0,0,0|2,0,0]=4 3940 B21R3.154841 CC(Nc1nc2ccc(cc2s1)I)C3CCCCC3 d18137c5d15e36e26945b25712d8f1e1 [0,2,0,0,0,0|2,0,0]=4 3941 B21R3.154841 CC(Oc1nc2ccc(cc2s1)Cl)C3CCCCC3 e5f9a1ed500855818e5ee9829282d22f [0,2,0,0,0,0|1,1,0]=4 3942 B21R3.154841 CC(Oc1nc2ccc(cc2s1)F)C3CCCCC3 b248d68bac54d72d651e5f40b392c1bf [0,2,0,0,0,0|1,1,0]=4 3943 B21R3.154841 CN(Cc1cc2cc(ccc2s1)Cl)C3CCCCC3 c7edc3e78b071013345e0a04f2a9412a [0,2,0,0,0,0|2,0,0]=4 3944 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Br)C3CCCCC3 18363eea3b8ba94aa70a0cc3a89d5626 [0,2,0,0,0,0|2,0,0]=4 3945 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Cl)C3CCCCC3 c8591648270ddc395fc84b0fda260361 [0,2,0,0,0,0|2,0,0]=4 3946 B21R3.154841 CN(Cc1nc2cc(ccc2o1)Cl)C3CCCCC3 f0f8c191949b87158d232a584f8149cb [0,2,0,0,0,0|1,1,0]=4 3947 B21R3.154841 CN(Cc1nc2cc(ccc2o1)F)C3CCCCC3 7576feca049aa591c15b7b1b68047a9a [0,2,0,0,0,0|1,1,0]=4 3948 B21R3.154841 CN(Cc1nc2cc(ccc2s1)F)C3CCCCC3 4969199064922b59cba839b10b2c0101 [0,2,0,0,0,0|1,0,0]=3 3949 B21R3.154841 CN(Cc1nc2cc(ccc2s1)F)C3CCOCC3 1bcb04c8bdafbf3ec956528c8c32bc9b [0,2,0,0,0,0|2,0,0]=4 3950 B21R3.154841 CN(Cc1nc2cc(cnc2s1)Cl)C3CCCCC3 391df198392978dec28127103fcb9e36 [0,2,0,0,0,0|2,0,0]=4 3951 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)F)C3CCCCC3 6676da309818187f5efcbdcb695b795e [0,2,0,0,0,0|2,0,0]=4 3952 B21R3.154841 CN(Cc1nc2ccc(cc2o1)Cl)C3CCCCC3 67bee514819fca624b6c2547c6d4ae63 [0,2,0,0,0,0|1,1,0]=4 3953 B21R3.154841 CN(Cc1nc2ccc(cc2o1)F)C3CCCCC3 32afb7a40f49b00c74a40ec04cd6162d [0,2,0,0,0,0|1,1,0]=4 3954 B21R3.154841 Cc1ccc2[nH]c(nc2c1)CN(C)C3CCCCC3 9fd6de83c62d97a081cadb8c38321942 [0,2,0,0,0,0|2,0,0]=4 3955 B21R3.154841 Cc1ccc2nc(oc2c1)CN(C)C3CCCCC3 de5e6c79ea7995cdf9d5ec398051f854 [0,2,0,0,0,0|1,1,0]=4 3956 B21R3.154841 Cc1ccc2nc(sc2c1)NC(C)C3CCCCC3 2c3349d3c5ed99907bfcfc83af6f6f1d [0,2,0,0,0,0|2,0,0]=4 3957 B21R3.154841 Cc1ccc2nc(sc2c1)OC(C)C3CCCCC3 77f122d2548fa63616cbd3f570276f5b [0,2,0,0,0,0|1,1,0]=4 3958 B21R3.154841 Cc1ccc2oc(nc2c1)CN(C)C3CCCCC3 7c204239b0041b4a280b66ff38da4845 [0,2,0,0,0,0|1,1,0]=4 3959 B21R3.393376 CC(Nc1nc2cccc(c2s1)F)C3CCCCC3 d401d5a1a74224ea1a7fd20e8679ac4f [0,2,0,0,0,0|2,0,0]=4 3960 B21R3.393376 CN(Cc1cc2c(cccc2s1)Cl)C3CCCCC3 dff4e068245db9b34d3d5a2f4cc3606e [0,2,0,0,0,0|2,0,0]=4 3961 B21R3.393376 CN(Cc1nc2c(cccc2o1)Cl)C3CCCCC3 1dba358859ebc521b07a3beb9944d327 [0,2,0,0,0,0|1,1,0]=4 3962 B21R3.654672 CC1CCC(CC1)N(C)Cc2cc3ccccc3s2 09251f59045749c635fb2bbff60a4126 [0,2,0,0,0,0|2,0,0]=4 3963 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3[nH]2 51d35ef57c51674756c693b241cc4278 [0,2,0,0,0,0|2,0,0]=4 3964 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3o2 53f2b113b69a1737108f9de3d8057457 [0,2,0,0,0,0|1,1,0]=4 3965 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3s2 06700d64e4f56850d8e4d97da5fe1d91 [0,2,0,0,0,0|1,0,0]=3 3966 B21R3.654672 CN(Cc1cc2ccccc2s1)C3CCC(CC3)O 46d6a4a26ae8aa56c4cea9d0669bdd34 [0,2,0,0,0,0|2,0,0]=4 3967 B21R3.654672 CN(Cc1cc2ccccc2s1)[C@H]3CC[C@@H](CC3)C 775110edc8079d024d9136bf1a3ee901 [0,2,0,0,0,0|2,0,0]=4 3968 B21R3.654672 CN(Cc1cc2ccccc2s1)[C@H]3CC[C@@H](CC3)O 0a20d1cc9b233d2d43c986d978468d22 [0,2,0,0,0,0|2,0,0]=4 3969 B21R3.654672 CN(Cc1cc2ccccc2s1)[C@H]3CC[C@H](CC3)O d2d67f6952770a641d3a355c257094ac [0,2,0,0,0,0|2,0,0]=4 3970 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)C3CCC(CC3)O bd7c2a5a41fc5c6b4e975fa86b760269 [0,2,0,0,0,0|2,0,0]=4 3971 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@@H](CC3)C 4b422ebfe78359243217584ac0fc3158 [0,2,0,0,0,0|2,0,0]=4 3972 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@@H](CC3)O ae3bac1fd444103f53b1b9155eb23291 [0,2,0,0,0,0|2,0,0]=4 3973 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@H](CC3)O 0bef058740b44bd7108ec0dce6ee41cb [0,2,0,0,0,0|2,0,0]=4 3974 B21R3.654672 CN(Cc1nc2ccccc2o1)C3CCC(CC3)O d21603118ff09a46bb9a5255a18eb6ba [0,2,0,0,0,0|1,1,0]=4 3975 B21R3.654672 CN(Cc1nc2ccccc2o1)[C@H]3CC[C@@H](CC3)C bd33cae073002a84fc220a5cf3ada128 [0,2,0,0,0,0|1,1,0]=4 3976 B21R3.654672 CN(Cc1nc2ccccc2o1)[C@H]3CC[C@@H](CC3)O d0463aacda763fbe39f05800948a78e2 [0,2,0,0,0,0|1,1,0]=4 3977 B21R3.654672 CN(Cc1nc2ccccc2o1)[C@H]3CC[C@H](CC3)O 76f019adf1715d64a24cf981fcf5c237 [0,2,0,0,0,0|1,1,0]=4 3978 B21R3.654672 CN(Cc1nc2ccccc2s1)C3CCC(CC3)O 0c45f871db5f2afb87fbeef07c4b80b1 [0,2,0,0,0,0|1,0,0]=3 3979 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@@H](CC3)C 6c0d64c8abc3bdcc91c735aa9da83272 [0,2,0,0,0,0|1,0,0]=3 3980 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@@H](CC3)O bb60de50eae7d78772f601af957b26d1 [0,2,0,0,0,0|1,0,0]=3 3981 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@H](CC3)O 2e98c8c7db429df1b93c8c8aa80baa88 [0,2,0,0,0,0|1,0,0]=3 3982 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 66150da6e2929bf8e27493a36fec92a8 [0,2,0,0,0,0|2,0,0]=4 3983 B21R3.3965166 CN(Cc1cc2ccccc2s1)[C@@H]3CCCC[C@H]3O 58e25ae5cc1fbc799ef96b42a144808e [0,2,0,0,0,0|2,0,0]=4 3984 B21R3.3965166 CN(Cc1cc2ccccc2s1)[C@H]3CCCC[C@@H]3O 40428996372d156bec3a4c7f10515564 [0,2,0,0,0,0|2,0,0]=4 3985 B21R3.3965166 CN(Cc1cc2ccccc2s1)[C@H]3CCCC[C@H]3O 0f6d24f1c58125dea25e6016e49b9ee6 [0,2,0,0,0,0|2,0,0]=4 3986 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3F 8f6b464cd235a8d53f6f499f0dbc7a1a [0,2,0,0,0,0|2,0,0]=4 3987 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3O 5c8ebfdb70d11627cc3d056f2da6cc67 [0,2,0,0,0,0|2,0,0]=4 3988 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)[C@@H]3CCCC[C@H]3O b0a4160b462ac0deb7926258cf56d318 [0,2,0,0,0,0|2,0,0]=4 3989 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)[C@H]3CCCC[C@@H]3O 18028dbd9529bd29b2fc08431c530103 [0,2,0,0,0,0|2,0,0]=4 3990 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)[C@H]3CCCC[C@H]3O bfede0d0f942b56447297268ecefd36b [0,2,0,0,0,0|2,0,0]=4 3991 B21R3.3965166 CN(Cc1nc2ccccc2o1)C3CCCCC3F 05e05e3ad4a27b94a55f5466e52fe72f [0,2,0,0,0,0|1,1,0]=4 3992 B21R3.3965166 CN(Cc1nc2ccccc2o1)C3CCCCC3O 29793d62cce339f03c6972af06ef7c14 [0,2,0,0,0,0|1,1,0]=4 3993 B21R3.3965166 CN(Cc1nc2ccccc2o1)[C@@H]3CCCC[C@H]3O 09711cbcc625de8e30210e26abe9f1b1 [0,2,0,0,0,0|1,1,0]=4 3994 B21R3.3965166 CN(Cc1nc2ccccc2o1)[C@H]3CCCC[C@@H]3O 74e05a3dbbc207d56e9f21987618f2aa [0,2,0,0,0,0|1,1,0]=4 3995 B21R3.3965166 CN(Cc1nc2ccccc2o1)[C@H]3CCCC[C@H]3O c9793548ba345833cba11e3273cd247e [0,2,0,0,0,0|1,1,0]=4 3996 B21R3.3965166 CN(Cc1nc2ccccc2s1)C3CCCCC3F 9f64164e10f7b6909b6bec9a367c76ea [0,2,0,0,0,0|1,0,0]=3 3997 B21R3.3965166 CN(Cc1nc2ccccc2s1)C3CCCCC3O 7447999dc0783ef709df99cb1af79889 [0,2,0,0,0,0|1,0,0]=3 3998 B21R3.3965166 CN(Cc1nc2ccccc2s1)[C@@H]3CCCC[C@H]3O e1f06067d1cfa9cb4eabe1bc03e52a8a [0,2,0,0,0,0|1,0,0]=3 3999 B21R3.3965166 CN(Cc1nc2ccccc2s1)[C@H]3CCCC[C@@H]3O f4d181e6dbafac46e88d483fc57cfa7b [0,2,0,0,0,0|1,0,0]=3 4000 B21R3.3965166 CN(Cc1nc2ccccc2s1)[C@H]3CCCC[C@H]3O fdfb0fb249753f12d67b7b8d6800db98 [0,2,0,0,0,0|1,0,0]=3 4001 B21R3.3965166 C[C@@H]1CCCC[C@@H]1N(C)Cc2nc3ccccc3[nH]2 31a128349098258a563d50c7f683db46 [0,2,0,0,0,0|2,0,0]=4 4002 B21R3.3965166 C[C@@H]1CCCC[C@@H]1N(C)Cc2nc3ccccc3o2 eb53643315ebd1616422fd82127250bd [0,2,0,0,0,0|1,1,0]=4 4003 B21R3.3965166 C[C@@H]1CCCC[C@@H]1N(C)Cc2nc3ccccc3s2 3761f3a8788c12dd3b04f8b403b2dc78 [0,2,0,0,0,0|1,0,0]=3 4004 B21R3.7433480 CN(Cc1nc2ccccc2[nH]1)C3CCCC(C3)O c2281d76afc4e779b6d047bd6bf57037 [0,2,0,0,0,0|2,0,0]=4 4005 B21R3.7433480 CN(Cc1nc2ccccc2[nH]1)[C@@H]3CCC[C@H](C3)O 536ee3f6da29034da11c5e64d344fd22 [0,2,0,0,0,0|2,0,0]=4 4006 B21R3.7433480 CN(Cc1nc2ccccc2[nH]1)[C@H]3CCC[C@@H](C3)O 2daf30146f6f3672782422772c0db433 [0,2,0,0,0,0|2,0,0]=4 4007 B21R3.7433480 CN(Cc1nc2ccccc2o1)C3CCCC(C3)O 50efbe275121409b401b6125355733e5 [0,2,0,0,0,0|1,1,0]=4 4008 B21R3.7433480 CN(Cc1nc2ccccc2o1)[C@@H]3CCC[C@H](C3)O 1bb6c1e4460cc7afee678aef59803f46 [0,2,0,0,0,0|1,1,0]=4 4009 B21R3.7433480 CN(Cc1nc2ccccc2o1)[C@H]3CCC[C@@H](C3)O 4ea66a936dd81cc2fa2c8d5efaa66314 [0,2,0,0,0,0|1,1,0]=4 4010 B21R3.7433480 CN(Cc1nc2ccccc2s1)C3CCCC(C3)O e68adbb92a33c417cfd71e7d509ead01 [0,2,0,0,0,0|1,0,0]=3 4011 B21R3.7433480 CN(Cc1nc2ccccc2s1)[C@@H]3CCC[C@H](C3)O e4dccbb2b04d7d1f508d38d46a06e051 [0,2,0,0,0,0|1,0,0]=3 4012 B21R3.7433480 CN(Cc1nc2ccccc2s1)[C@H]3CCC[C@@H](C3)O 430f2787ea7e7f8d8f4a2ed2c93bfa63 [0,2,0,0,0,0|1,0,0]=3 4013 B21R3.7433480 CN1CCC[C@@H](C1)N(C)Cc2nc3ccccc3s2 4e9af13a308a31d146a17e8813c9a38f [0,2,0,0,0,0|2,0,0]=4 4014 B21R3.7433480 CN1CCC[C@H](C1)N(C)Cc2nc3ccccc3s2 b338930a0962d69256ac4790f155efd5 [0,2,0,0,0,0|2,0,0]=4 4015 B21R3.14886901 CN(C(=O)c1cc2ccccc2s1)C3CCCCC3 9e84ca40907fae54ff1f86d2d3582fc5 [0,2,0,0,0,0|2,0,0]=4 4016 B21R3.14886901 CN(C(=O)c1nc2ccccc2o1)C3CCCCC3 5c62f86161e4770d1db13d8f6f429b60 [0,2,0,0,0,0|1,1,0]=4 4017 B21R3.14886901 CN(C(=O)c1nc2ccccc2s1)C3CCCCC3 ec98410c67abb8fb424f31aa4b1e15a8 [0,2,0,0,0,0|1,0,0]=3 4018 B21R3.14886901 CN(C(=O)c1nc2ccccc2s1)C3CCCOC3 b84d32578a72d7c1b249463273d72bc1 [0,2,0,0,0,0|2,0,0]=4 4019 B21R3.14886901 CN(C(=O)c1nc2ccccc2s1)C3CCOCC3 001af542bb0d8f49042645bcfb2b0993 [0,2,0,0,0,0|2,0,0]=4 4020 B21R3.14886901 CN(C(=O)c1nc2cccnc2s1)C3CCCCC3 51a21ff04ea83ae3b499d784d4d96c53 [0,2,0,0,0,0|2,0,0]=4 4021 B21R3.14886901 CN(C(=O)c1nc2ccncc2s1)C3CCCCC3 3d12ebbc21d36a5cf1873ef565d74ae7 [0,2,0,0,0,0|2,0,0]=4 4022 B21R3.14886901 CN(C(=O)c1nc2cnccc2s1)C3CCCCC3 5479b3895775d83a63a9f4788b442b07 [0,2,0,0,0,0|2,0,0]=4 4023 B21R3.7332 CC1CC(CC(C1)OCc2nc3ccccc3s2)C 5df196a09ad269ae59146778967b594a [0,2,0,0,0,0|2,0,0]=4 4024 B21R3.7332 CC1CC(CN(C1)CSc2nc3ccccc3s2)C 6b17901fbccc9bcc42ac84ad22bcd3a6 [0,2,0,0,0,0|2,0,0]=4 4025 B21R3.7332 C[C@@H]1CC(C[C@@H](O1)C)NCc2nc3ccccc3s2 a83dba2df70d4d2fe5bef7eb00ba8092 [0,2,0,0,0,0|2,0,0]=4 4026 B21R3.7332 C[C@@H]1C[C@@H](CN(C1)CSc2nc3ccccc3s2)C 3e4b3eb978bb23d199c2dd6a3cb84cd2 [0,2,0,0,0,0|2,0,0]=4 4027 B21R3.7332 C[C@@H]1C[C@@H](C[C@@H](C1)OCc2nc3ccccc3s2)C 1a1ae5d0abe70410370370722f2f0df3 [0,2,0,0,0,0|2,0,0]=4 4028 B21R3.7332 C[C@@H]1C[C@@H](C[C@@H](O1)C)NCc2nc3ccccc3s2 cae059d399d29c4bf9e80ba7c2086ee0 [0,2,0,0,0,0|2,0,0]=4 4029 B21R3.7332 C[C@@H]1C[C@H](C[C@@H](O1)C)NCc2nc3ccccc3s2 5860b62b745a0ec0c5b65a3bda1ed612 [0,2,0,0,0,0|2,0,0]=4 4030 B21R3.7332 OC1CC(CN(C1)CSc2nc3ccccc3s2)O 996fee2b8b0740eead85ed69cfc30289 [0,2,0,0,0,0|2,0,0]=4 4031 B21R3.7332 O[C@@H]1C[C@@H](CN(C1)CSc2nc3ccccc3s2)O d8d3d56358a2afc91e92dda671223a2a [0,2,0,0,0,0|2,0,0]=4 4032 B21R3.7332 O[C@@H]1C[C@H](CN(C1)CSc2nc3ccccc3s2)O 9de1b5e0d7e1824cc3eca7d18b467770 [0,2,0,0,0,0|2,0,0]=4 4033 B21R3.7332 O[C@H]1C[C@@H](CN(C1)CSc2nc3ccccc3s2)O 28301030a4b71a6c6da7734c30f60072 [0,2,0,0,0,0|2,0,0]=4 4034 B21R3.8712 CC1CCC(C(C1)OCc2nc3ccccc3s2)C 73354f440c8822f782ab4e08eb3493e5 [0,2,0,0,0,0|2,0,0]=4 4035 B21R3.67358 C#CC1CCCN(C1)CSc2nc3ccccc3s2 3a922062dc8910aaacb83a7f4a5a4727 [0,2,0,0,0,0|2,0,0]=4 4036 B21R3.67358 CCC1CCCC(C1)OCc2nc3ccccc3s2 4953ffdea677e8f1ec50ad2765404a25 [0,2,0,0,0,0|2,0,0]=4 4037 B21R3.67358 CCC1CCCN(C1)CSc2nc3ccccc3s2 54c8b0ad48af6b79a10e8bcebcf16fdc [0,2,0,0,0,0|2,0,0]=4 4038 B21R3.67358 COC1CCCC(C1)NCc2cc3ccccc3s2 8dfb3319bd4de671a25ea66cfd7b45ee [0,2,0,0,0,0|2,0,0]=4 4039 B21R3.67358 COC1CCCC(C1)NCc2nc3ccccc3[nH]2 3a19500f0f7176e162d9705d4e233bbd [0,2,0,0,0,0|2,0,0]=4 4040 B21R3.67358 COC1CCCC(C1)NCc2nc3ccccc3o2 8260c509cff9a8463fd28b106a2f8821 [0,2,0,0,0,0|1,1,0]=4 4041 B21R3.67358 COC1CCCC(C1)NCc2nc3ccccc3s2 8a0c0ad8cb74f4f6849445233ef1ee2c [0,2,0,0,0,0|1,0,0]=3 4042 B21R3.67358 COC1CCCC(C1)OCc2nc3ccccc3s2 45273f23107c375d9b8e2e7eea484993 [0,2,0,0,0,0|2,0,0]=4 4043 B21R3.67358 COC1CCCN(C1)CSc2nc3ccccc3s2 994338fd80d46f7b47e1da2d2ee2bf11 [0,2,0,0,0,0|2,0,0]=4 4044 B21R3.67358 CO[C@@H]1CCCN(C1)CSc2nc3ccccc3s2 9c24f4eb23bbdca2f9104fc99e8bbbf2 [0,2,0,0,0,0|2,0,0]=4 4045 B21R3.67358 CO[C@@H]1CCC[C@@H](C1)NCc2cc3ccccc3s2 aa860e55803e7d4fffce46ee3cd5ec17 [0,2,0,0,0,0|2,0,0]=4 4046 B21R3.67358 CO[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 e0c6b0971512e39622827282eeebbf84 [0,2,0,0,0,0|2,0,0]=4 4047 B21R3.67358 CO[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 7b0ec0bac6b0abf09686d1676a43f870 [0,2,0,0,0,0|1,1,0]=4 4048 B21R3.67358 CO[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 02abc78eae26e3365a87a57a2488ee3f [0,2,0,0,0,0|1,0,0]=3 4049 B21R3.67358 CO[C@@H]1CCC[C@@H](C1)OCc2nc3ccccc3s2 c260e9dd85b203b946c1621b0da963b8 [0,2,0,0,0,0|2,0,0]=4 4050 B21R3.67358 CO[C@@H]1CCC[C@H](C1)NCc2cc3ccccc3s2 363e03d5f02c54a065c034db005992a1 [0,2,0,0,0,0|2,0,0]=4 4051 B21R3.67358 CO[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 ee597360bdcbfca4b07436239a1a2a2f [0,2,0,0,0,0|2,0,0]=4 4052 B21R3.67358 CO[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 80d65c6b980668c6a1d02e8922f4349d [0,2,0,0,0,0|1,1,0]=4 4053 B21R3.67358 CO[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 cab4e5765f6c3062f8efd5d7d97a88af [0,2,0,0,0,0|1,0,0]=3 4054 B21R3.67358 CO[C@@H]1COC[C@@H](C1)NCc2nc3ccccc3s2 215df7edf79827c6fc9e9d98c1dc19eb [0,2,0,0,0,0|2,0,0]=4 4055 B21R3.67358 CO[C@H]1CCCN(C1)CSc2nc3ccccc3s2 e4fee85007f82e5c27d8c283ce093a6b [0,2,0,0,0,0|2,0,0]=4 4056 B21R3.67358 CO[C@H]1CCC[C@@H](C1)NCc2cc3ccccc3s2 058002c8a387471a1d3857e7afe7c379 [0,2,0,0,0,0|2,0,0]=4 4057 B21R3.67358 CO[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 d992820666977b69a4f86beb0a8d528c [0,2,0,0,0,0|2,0,0]=4 4058 B21R3.67358 CO[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 22bc4181e070680fb59720ac6e307f88 [0,2,0,0,0,0|1,1,0]=4 4059 B21R3.67358 CO[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 683abf5430e6273eda4bf9d49f378548 [0,2,0,0,0,0|1,0,0]=3 4060 B21R3.67358 CO[C@H]1CCC[C@@H](C1)OCc2nc3ccccc3s2 78d77a991bbacb26dce5fa87d5face92 [0,2,0,0,0,0|2,0,0]=4 4061 B21R3.67358 CO[C@H]1CCC[C@H](C1)NCc2cc3ccccc3s2 ddf8aa1d7e2e966c86e752ec921ee1f5 [0,2,0,0,0,0|2,0,0]=4 4062 B21R3.67358 CO[C@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 76cd6421aefc70ec1325663d388c9288 [0,2,0,0,0,0|2,0,0]=4 4063 B21R3.67358 CO[C@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 95fd3970a8f2bfe10955a20e55eb606b [0,2,0,0,0,0|1,1,0]=4 4064 B21R3.67358 CO[C@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 ab40372fd65023de2038fe36dfc0fb43 [0,2,0,0,0,0|1,0,0]=3 4065 B21R3.67358 CO[C@H]1COC[C@H](C1)NCc2nc3ccccc3s2 0e366426e568c68301600cb424c2251a [0,2,0,0,0,0|2,0,0]=4 4066 B21R3.67358 N#CC1CCCN(C1)CSc2nc3ccccc3s2 10151bedde6e621f7f848588b550126d [0,2,0,0,0,0|2,0,0]=4 4067 B21R3.67358 N#C[C@@H]1CCCN(C1)CSc2nc3ccccc3s2 4943ba15959665e5b09c41f4b7b9488e [0,2,0,0,0,0|2,0,0]=4 4068 B21R3.67358 OCC1CCCC(C1)NCc2nc3ccccc3[nH]2 8f34a53773ee5f23765e28c46e2374f9 [0,2,0,0,0,0|2,0,0]=4 4069 B21R3.67358 OCC1CCCC(C1)NCc2nc3ccccc3o2 9a66820caa24624670208fe735f319e4 [0,2,0,0,0,0|1,1,0]=4 4070 B21R3.67358 OCC1CCCC(C1)NCc2nc3ccccc3s2 5151f6a48615207f9163444f104a4be5 [0,2,0,0,0,0|1,0,0]=3 4071 B21R3.67358 OCC1CCCN(C1)CSc2nc3ccccc3s2 7082381b3072d24f326f441ee57c9101 [0,2,0,0,0,0|2,0,0]=4 4072 B21R3.67358 OC[C@@H]1CCCN(C1)CSc2nc3ccccc3s2 2de97f262d7097e48af4dcbd74272944 [0,2,0,0,0,0|2,0,0]=4 4073 B21R3.67358 OC[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 1895a7d9671ed3c4af8ab05d892bb4c5 [0,2,0,0,0,0|2,0,0]=4 4074 B21R3.67358 OC[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 0c91b3ff61ef371a901158c724958865 [0,2,0,0,0,0|1,1,0]=4 4075 B21R3.67358 OC[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 66f25e0928da26f52599fc33a4c39e69 [0,2,0,0,0,0|1,0,0]=3 4076 B21R3.67358 OC[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 2b04b4dc560906111838dd3ff11e6419 [0,2,0,0,0,0|2,0,0]=4 4077 B21R3.67358 OC[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 e9b06ff8b45448295794218812cdcf3a [0,2,0,0,0,0|1,1,0]=4 4078 B21R3.67358 OC[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 bd8c2e124cfe367d9cd87f2e74925102 [0,2,0,0,0,0|1,0,0]=3 4079 B21R3.67358 OC[C@H]1CCCN(C1)CSc2nc3ccccc3s2 683969ba2a48cd07867e657d9d6bc537 [0,2,0,0,0,0|2,0,0]=4 4080 B21R3.67358 OC[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 1602aa650098418d8ada91596e2cfa0b [0,2,0,0,0,0|2,0,0]=4 4081 B21R3.67358 OC[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3o2 8574e12ecf8e9d8f68680ab58903e6ee [0,2,0,0,0,0|1,1,0]=4 4082 B21R3.67358 OC[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 0aeefac8f1f1714694e29d2fc2762ee6 [0,2,0,0,0,0|1,0,0]=3 4083 B21R3.67358 OC[C@H]1CCC[C@H](C1)NCc2nc3ccccc3[nH]2 8d0a449c7f442662281b88003a586621 [0,2,0,0,0,0|2,0,0]=4 4084 B21R3.67358 OC[C@H]1CCC[C@H](C1)NCc2nc3ccccc3o2 d9ecad5e42a58431fbe091201d7f5fb2 [0,2,0,0,0,0|1,1,0]=4 4085 B21R3.67358 OC[C@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 88943b8424550f46b53be565c9b81f61 [0,2,0,0,0,0|1,0,0]=3 4086 B21R3.152148 CC1CCCC(C1C)NCc2cc3ccccc3s2 d42957616e66768db23d728ee8186f93 [0,2,0,0,0,0|2,0,0]=4 4087 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3[nH]2 082ea6accae9b2a6c62510445378afe3 [0,2,0,0,0,0|2,0,0]=4 4088 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3o2 53f861a56862d970c3803e9388ea28cf [0,2,0,0,0,0|1,1,0]=4 4089 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3s2 997a2bc8ab5c7f323eb0094cd43c2086 [0,2,0,0,0,0|1,0,0]=3 4090 B21R3.152148 CC1CCCC(C1C)OCc2nc3ccccc3s2 03b49a3ddafda580e9ae2bafd1b6d85e [0,2,0,0,0,0|2,0,0]=4 4091 B21R3.223553 CC1(CC(CCO1)NCc2nc3ccccc3s2)C b74e7516527e7c0857862c2f4e995708 [0,2,0,0,0,0|2,0,0]=4 4092 B21R3.223553 CC1(CCCC(C1)NCc2cc3ccccc3s2)C fe9257cf43dba43ea9301e52b97fc19d [0,2,0,0,0,0|2,0,0]=4 4093 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3[nH]2)C dcf27c4e0b5b387fd246484313c58694 [0,2,0,0,0,0|2,0,0]=4 4094 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3[nH]2)O c303f83bd4f2a08787023b4cdc61e058 [0,2,0,0,0,0|2,0,0]=4 4095 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3o2)C d363c284399c36afe27071e46795b765 [0,2,0,0,0,0|1,1,0]=4 4096 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3o2)O ee782ec5065bee0e8fb24ca2eb3bb589 [0,2,0,0,0,0|1,1,0]=4 4097 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3s2)C 14cb7bad5b3e0f75c3f119b94bfad072 [0,2,0,0,0,0|1,0,0]=3 4098 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3s2)O 4b988bcb8ca2068d66af0ebf50943521 [0,2,0,0,0,0|1,0,0]=3 4099 B21R3.223553 CC1(CCCC(C1)OCc2nc3ccccc3s2)C a51fdae560f43c16d199f033bbb62ba8 [0,2,0,0,0,0|2,0,0]=4 4100 B21R3.223553 CC1(CCCN(C1)CSc2nc3ccccc3s2)C 5bf3eccd0f40629fec1a78ac7a4551d7 [0,2,0,0,0,0|2,0,0]=4 4101 B21R3.223553 CC1(CCCN(C1)CSc2nc3ccccc3s2)O 57fa1b097e40e6a0c828c250a4b6620c [0,2,0,0,0,0|2,0,0]=4 4102 B21R3.223553 CC1(CCC[C@@H](C1)NCc2cc3ccccc3s2)C 7617bf58fab35bbee468d29df7d34230 [0,2,0,0,0,0|2,0,0]=4 4103 B21R3.223553 CC1(CCC[C@@H](C1)NCc2nc3ccccc3[nH]2)C 31ba7d0c63eb49abfe670a75ca7a00fd [0,2,0,0,0,0|2,0,0]=4 4104 B21R3.223553 CC1(CCC[C@@H](C1)NCc2nc3ccccc3o2)C 6db73002b3735fcb18b58ddac052203e [0,2,0,0,0,0|1,1,0]=4 4105 B21R3.223553 CC1(CCC[C@@H](C1)NCc2nc3ccccc3s2)C c3b6afd7a90cd52bd38f99068aa6102b [0,2,0,0,0,0|1,0,0]=3 4106 B21R3.223553 CC1(CCC[C@H](C1)NCc2cc3ccccc3s2)C 181ee13a90bb75fb8ac6bab7d47e2b79 [0,2,0,0,0,0|2,0,0]=4 4107 B21R3.223553 CC1(CCC[C@H](C1)NCc2nc3ccccc3[nH]2)C 4c687601ef7ae44284f545e18de393b6 [0,2,0,0,0,0|2,0,0]=4 4108 B21R3.223553 CC1(CCC[C@H](C1)NCc2nc3ccccc3o2)C e1a7685248a7d0e6de77ca112f42c402 [0,2,0,0,0,0|1,1,0]=4 4109 B21R3.223553 CC1(CCC[C@H](C1)NCc2nc3ccccc3s2)C 6ad7b38a02eef0f6a4748718caed3065 [0,2,0,0,0,0|1,0,0]=3 4110 B21R3.223553 CC1(C[C@@H](CCO1)NCc2nc3ccccc3s2)C b14de3dd07e75163a1cb9c754edc40f2 [0,2,0,0,0,0|2,0,0]=4 4111 B21R3.223553 CC1(C[C@H](CCO1)NCc2nc3ccccc3s2)C d021ee7a704694bdcb7ab6e7aaa96178 [0,2,0,0,0,0|2,0,0]=4 4112 B21R3.223553 C[C@@]1(CCCN(C1)CSc2nc3ccccc3s2)O 9a149941e7ab32ec98a1c95d1ee1e8f2 [0,2,0,0,0,0|2,0,0]=4 4113 B21R3.223553 C[C@@]1(CCC[C@H](C1)NCc2nc3ccccc3[nH]2)O 2bfed05356faabffccf7773221f3a896 [0,2,0,0,0,0|2,0,0]=4 4114 B21R3.223553 C[C@@]1(CCC[C@H](C1)NCc2nc3ccccc3o2)O f446a98a9def87dd2d8c955da03c341e [0,2,0,0,0,0|1,1,0]=4 4115 B21R3.223553 C[C@@]1(CCC[C@H](C1)NCc2nc3ccccc3s2)O f0979e4094ae49a6e1cb7e2599c8f65e [0,2,0,0,0,0|1,0,0]=3 4116 B21R3.223553 C[C@]1(CCCN(C1)CSc2nc3ccccc3s2)O 6b732aa901315b572e2b162b0a0977a5 [0,2,0,0,0,0|2,0,0]=4 4117 B21R3.223553 C[C@]1(CCC[C@H](C1)NCc2nc3ccccc3[nH]2)O 23e6eae929b8c0a28c84876fbb233891 [0,2,0,0,0,0|2,0,0]=4 4118 B21R3.223553 C[C@]1(CCC[C@H](C1)NCc2nc3ccccc3o2)O 41ed3a2a79eefec2c6da49c90388cd77 [0,2,0,0,0,0|1,1,0]=4 4119 B21R3.223553 C[C@]1(CCC[C@H](C1)NCc2nc3ccccc3s2)O c806c421834daffa2629ee7cefbecdf0 [0,2,0,0,0,0|1,0,0]=3 4120 B21R3.223553 FC1(CCCC(C1)NCc2cc3ccccc3s2)F 4ed9a31aabc4515d1f1c798a66610bb3 [0,2,0,0,0,0|2,0,0]=4 4121 B21R3.223553 FC1(CCCC(C1)NCc2nc3ccccc3[nH]2)F f86d61f7f1f81afdae5f276227161b3c [0,2,0,0,0,0|2,0,0]=4 4122 B21R3.223553 FC1(CCCC(C1)NCc2nc3ccccc3o2)F 386b7ee3c88ea7d57a949b91c8e89ac8 [0,2,0,0,0,0|1,1,0]=4 4123 B21R3.223553 FC1(CCCC(C1)NCc2nc3ccccc3s2)F a0c4a67c89197195281c421344ca8203 [0,2,0,0,0,0|1,0,0]=3 4124 B21R3.223553 FC1(CCCN(C1)CSc2nc3ccccc3s2)F caf0ac1e2fadb9701edeba39c005e764 [0,2,0,0,0,0|2,0,0]=4 4125 B21R3.223553 FC1(COCC(C1)NCc2nc3ccccc3s2)F 0a4b236460888d050db46833df808a59 [0,2,0,0,0,0|2,0,0]=4 4126 B21R3.223553 O=S1(=O)CCCC(C1)NCc2nc3ccccc3s2 2aaba1c334d4626adff5d57d14ee737c [0,2,0,0,0,0|2,0,0]=4 4127 B21R3.223553 O=S1(=O)CCC[C@@H](C1)NCc2nc3ccccc3s2 c0ee4ab1bdd6b8c73dbc3c7afa2b327a [0,2,0,0,0,0|2,0,0]=4 4128 B21R3.223553 O=S1(=O)CCC[C@H](C1)NCc2nc3ccccc3s2 3a20822f4f02ef8ef6dd2a062a585004 [0,2,0,0,0,0|2,0,0]=4 4129 B21R3.469754 CC1CC(CCO1)NCc2nc3cc(ccc3s2)F f5fc13f48b9f92e9b0f45082eceb7fce [0,2,0,0,0,0|2,0,0]=4 4130 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 000f81fe47534dc05cc4d206af450644 [0,2,0,0,0,0|2,0,0]=4 4131 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Cl 28cad5b84c877c18afb58f50934bbe5e [0,2,0,0,0,0|2,0,0]=4 4132 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)F d31df4279c8f0f7dfd7af705c7f9f011 [0,2,0,0,0,0|1,1,0]=4 4133 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3s2)F 14c393eb007dc79bdb99cf8643cdba3b [0,2,0,0,0,0|1,0,0]=3 4134 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(cnc3s2)Cl d3f9f523a3ce889cd2ce8603688619f7 [0,2,0,0,0,0|2,0,0]=4 4135 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)F 9b9d4fa51b9a12fd01b95f7fb2a65441 [0,2,0,0,0,0|2,0,0]=4 4136 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)Cl 2cf29b28f1055fd8601ef95fdc9f430f [0,2,0,0,0,0|1,1,0]=4 4137 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)F eddda8850fe8a09ec3eeb691f9d8ab49 [0,2,0,0,0,0|1,1,0]=4 4138 B21R3.469754 CC1CCCC(C1)OCc2nc3cc(ccc3s2)F 2871ba2f5fcbfb5258c08668c6a3ed5e [0,2,0,0,0,0|2,0,0]=4 4139 B21R3.469754 CN1CCCC(C1)NCc2nc3cc(ccc3s2)F b1eaa9dc53670f4da6a16c9c5d006579 [0,2,0,0,0,0|2,0,0]=4 4140 B21R3.469754 CN1CCC[C@@H](C1)NCc2nc3cc(ccc3s2)F bbff7c125b0520dcb04b6cb1981c26c1 [0,2,0,0,0,0|2,0,0]=4 4141 B21R3.469754 CN1CCC[C@@H](C1)NCc2nc3ccc(cc3s2)Br 759229ac1748c2baae7de4d0fff73753 [0,2,0,0,0,0|2,0,0]=4 4142 B21R3.469754 CN1CCC[C@@H](C1)NCc2nc3ccc(cc3s2)Cl 5942e77f38a702c5a51ac3bbab79963d [0,2,0,0,0,0|2,0,0]=4 4143 B21R3.469754 CN1CCC[C@H](C1)NCc2nc3cc(ccc3s2)F e62ba25785c3fbf963b22cba3dd33691 [0,2,0,0,0,0|2,0,0]=4 4144 B21R3.469754 CN1CCC[C@H](C1)NCc2nc3ccc(cc3s2)Br 8c5440ec47167b87e487bfb441013c9f [0,2,0,0,0,0|2,0,0]=4 4145 B21R3.469754 CN1CCC[C@H](C1)NCc2nc3ccc(cc3s2)Cl 2adffc246a2db170e4de02c46e8da546 [0,2,0,0,0,0|2,0,0]=4 4146 B21R3.469754 C[C@@H]1CCC[C@@H](C1)OCc2nc3cc(ccc3s2)F 795a0e600596c3ec3f971c291ea8ec93 [0,2,0,0,0,0|2,0,0]=4 4147 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2cc3cc(ccc3s2)Cl a1e0d31ab58de8f08f7ec260da65fd96 [0,2,0,0,0,0|2,0,0]=4 4148 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3cc(ccc3[nH]2)Cl 4da22360c6c7a081dff128cc7fb85d9c [0,2,0,0,0,0|2,0,0]=4 4149 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3cc(ccc3o2)F 8a28b8b9adcdd8c3f2ed206d3be9b844 [0,2,0,0,0,0|1,1,0]=4 4150 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3cc(ccc3s2)F 6b3201c63e2e2149cbefe8c634a6aa0c [0,2,0,0,0,0|1,0,0]=3 4151 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3cc(cnc3s2)Cl 8e61f6d40f7f9740baa7efc54e577f4f [0,2,0,0,0,0|2,0,0]=4 4152 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3[nH]2)F 8a51759a0101a12e71a343b87f9461e6 [0,2,0,0,0,0|2,0,0]=4 4153 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)Cl 9e6aa70614396e449092cb01d9cd9c89 [0,2,0,0,0,0|1,1,0]=4 4154 B21R3.469754 C[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)F 4d671fe07efa3235e98207e2a937b5bd [0,2,0,0,0,0|1,1,0]=4 4155 B21R3.469754 C[C@@H]1C[C@@H](CCO1)NCc2nc3cc(ccc3s2)F 2c5af0462df90a672975dcfcc776c042 [0,2,0,0,0,0|2,0,0]=4 4156 B21R3.469754 C[C@@H]1C[C@H](CCO1)NCc2nc3cc(ccc3s2)F 4f8234cce690740b55f0477510fb3aaf [0,2,0,0,0,0|2,0,0]=4 4157 B21R3.469754 C[C@H]1CCC[C@@H](C1)OCc2nc3cc(ccc3s2)F b85c399f01d22b1b736d254304ee989a [0,2,0,0,0,0|2,0,0]=4 4158 B21R3.469754 C[C@H]1CCC[C@H](C1)OCc2nc3cc(ccc3s2)F c97859cb2299b20e9d6898e43a5babb3 [0,2,0,0,0,0|2,0,0]=4 4159 B21R3.469754 C[C@H]1C[C@@H](CCO1)NCc2nc3cc(ccc3s2)F e6004433721c7af55c6a82f382964546 [0,2,0,0,0,0|2,0,0]=4 4160 B21R3.469754 C[C@H]1C[C@H](CCO1)NCc2nc3cc(ccc3s2)F 2732bd59b1a335185b99d9fb71ac6240 [0,2,0,0,0,0|2,0,0]=4 4161 B21R3.469754 Cc1ccc2nc([nH]c2c1)CNC3CCCC(C3)C 26f16be299a8cc70a2b24df416e20cc7 [0,2,0,0,0,0|2,0,0]=4 4162 B21R3.469754 Cc1ccc2nc([nH]c2c1)CNC3CCCC(C3)O 46202e2fba7909d98680def717e776bf [0,2,0,0,0,0|2,0,0]=4 4163 B21R3.469754 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCC[C@@H](C3)O acb8ffff6b4924ef5a87967619959b5c [0,2,0,0,0,0|2,0,0]=4 4164 B21R3.469754 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCC[C@H](C3)C b8deaf8c916c26d254bab9d15de779f4 [0,2,0,0,0,0|2,0,0]=4 4165 B21R3.469754 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCC[C@H](C3)O a961a01316bb101668b2a1f55fd96982 [0,2,0,0,0,0|2,0,0]=4 4166 B21R3.469754 Cc1ccc2nc([nH]c2c1)CN[C@H]3CCC[C@@H](C3)O 3f0139e0db06301c0fd6ff0935900754 [0,2,0,0,0,0|2,0,0]=4 4167 B21R3.469754 Cc1ccc2nc([nH]c2c1)CN[C@H]3CCC[C@H](C3)O e13865a9986ff234eb306441bae7e998 [0,2,0,0,0,0|2,0,0]=4 4168 B21R3.469754 Cc1ccc2nc(oc2c1)CNC3CCCC(C3)C 55dcea9b0eeb5b5a988928cd2442c27a [0,2,0,0,0,0|1,1,0]=4 4169 B21R3.469754 Cc1ccc2nc(oc2c1)CNC3CCCC(C3)O c7459253e76064c77008492fdb68c583 [0,2,0,0,0,0|1,1,0]=4 4170 B21R3.469754 Cc1ccc2nc(oc2c1)CN[C@@H]3CCC[C@@H](C3)O 15d65feb68579a47b3d8521344764240 [0,2,0,0,0,0|1,1,0]=4 4171 B21R3.469754 Cc1ccc2nc(oc2c1)CN[C@@H]3CCC[C@H](C3)C b08409d564a6745ebfb440965fcc0f90 [0,2,0,0,0,0|1,1,0]=4 4172 B21R3.469754 Cc1ccc2nc(oc2c1)CN[C@@H]3CCC[C@H](C3)O ec9cb279b0bd0bbc35984cb33dc8a04d [0,2,0,0,0,0|1,1,0]=4 4173 B21R3.469754 Cc1ccc2nc(oc2c1)CN[C@H]3CCC[C@@H](C3)O 87d8989ce9e6ea5f2db5b02c89a15a10 [0,2,0,0,0,0|1,1,0]=4 4174 B21R3.469754 Cc1ccc2nc(oc2c1)CN[C@H]3CCC[C@H](C3)O 909d69252315e59adcc0716ec4e815d6 [0,2,0,0,0,0|1,1,0]=4 4175 B21R3.469754 Cc1ccc2oc(nc2c1)CNC3CCCC(C3)C b696fcbc98147825901df2f5bb8391a9 [0,2,0,0,0,0|1,1,0]=4 4176 B21R3.469754 Cc1ccc2oc(nc2c1)CNC3CCCC(C3)O 5f60ca8404f3253ab5434c621ef5f758 [0,2,0,0,0,0|1,1,0]=4 4177 B21R3.469754 Cc1ccc2oc(nc2c1)CN[C@@H]3CCC[C@@H](C3)O 32589412b636d6929e95b1751dd1770c [0,2,0,0,0,0|1,1,0]=4 4178 B21R3.469754 Cc1ccc2oc(nc2c1)CN[C@@H]3CCC[C@H](C3)C 61978d3f704bbb5fc4391ba620718c65 [0,2,0,0,0,0|1,1,0]=4 4179 B21R3.469754 Cc1ccc2oc(nc2c1)CN[C@@H]3CCC[C@H](C3)O d25133d513776d7aac05171beeb3569d [0,2,0,0,0,0|1,1,0]=4 4180 B21R3.469754 Cc1ccc2oc(nc2c1)CN[C@H]3CCC[C@@H](C3)O d5c447a695bd617561ea8bfcb78dd7f0 [0,2,0,0,0,0|1,1,0]=4 4181 B21R3.469754 Cc1ccc2oc(nc2c1)CN[C@H]3CCC[C@H](C3)O 5435d3dcf16bc844e9c920f83206210e [0,2,0,0,0,0|1,1,0]=4 4182 B21R3.469754 Cc1ccc2sc(nc2c1)NCC3CCCC(C3)C 66471bc9e1c04672b4267fa0cfdf93eb [0,2,0,0,0,0|2,0,0]=4 4183 B21R3.469754 O=C1CCCC(C1)NCc2nc3ccc(cc3s2)Br f3daf7044d99cb8070bbb7104d14f2a8 [0,2,0,0,0,0|1,0,1]=4 4184 B21R3.469754 O=C1CCCC(C1)NCc2nc3ccc(cc3s2)Cl 4f8bb5f30fa8201fc6e48853091da575 [0,2,0,0,0,0|1,0,1]=4 4185 B21R3.469754 OC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 137ced6f9b27ecb8b9ba161ab7a8f0a4 [0,2,0,0,0,0|2,0,0]=4 4186 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Cl a1d779d560cdbda85f2d8db743f71b4d [0,2,0,0,0,0|2,0,0]=4 4187 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3s2)F 76dde2115d1d74428e5ae0f51f622e1a [0,2,0,0,0,0|1,0,0]=3 4188 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(cnc3s2)Cl dce2f8654b89642476c56b43ff74f25f [0,2,0,0,0,0|2,0,0]=4 4189 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)F ba731da0ec4f2b41437713be125c9247 [0,2,0,0,0,0|2,0,0]=4 4190 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3o2)Cl 31285878bf5cf594f9fad98c3f454312 [0,2,0,0,0,0|1,1,0]=4 4191 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3o2)F 1267c017a482e2d32187b4ac14b7897c [0,2,0,0,0,0|1,1,0]=4 4192 B21R3.469754 OC1COCC(C1)NCc2nc3cc(ccc3s2)F ba017e63c7e765e79adaeb7f0bd4d0bc [0,2,0,0,0,0|2,0,0]=4 4193 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2cc3cc(ccc3s2)Cl e1a4d6ff2c235ffb57a7aeca8a89fc24 [0,2,0,0,0,0|2,0,0]=4 4194 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3cc(ccc3[nH]2)Cl 3c385f72c43b421036738848ccfaba52 [0,2,0,0,0,0|2,0,0]=4 4195 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3cc(ccc3s2)F e59a1f6ac3f87ee3a0c48b551d448ce6 [0,2,0,0,0,0|1,0,0]=3 4196 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3cc(cnc3s2)Cl 8daeb2f39fe3bac9403397efbf027988 [0,2,0,0,0,0|2,0,0]=4 4197 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3[nH]2)F 3a78a89202a257d76e6740dc807651de [0,2,0,0,0,0|2,0,0]=4 4198 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3o2)Cl b96a2dbb45de6e4d8060366e1958247c [0,2,0,0,0,0|1,1,0]=4 4199 B21R3.469754 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3o2)F 4c94805235a06f2589f9a29a4468e290 [0,2,0,0,0,0|1,1,0]=4 4200 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2cc3cc(ccc3s2)Cl 8b320d313a1e6e126b23cb6a82f9c416 [0,2,0,0,0,0|2,0,0]=4 4201 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3cc(ccc3[nH]2)Cl 6590b7fe40ef60bcaf08b3affadbbf99 [0,2,0,0,0,0|2,0,0]=4 4202 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3cc(ccc3s2)F f3b23763af1b8b60c91830a85e041597 [0,2,0,0,0,0|1,0,0]=3 4203 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3cc(cnc3s2)Cl 09fdb5c15139e8dc9c1e2f4d1b904d04 [0,2,0,0,0,0|2,0,0]=4 4204 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3[nH]2)F dcac026f7158045bc757750c126cf21a [0,2,0,0,0,0|2,0,0]=4 4205 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)Cl e7d323ff9c40450949d16f6651b44674 [0,2,0,0,0,0|1,1,0]=4 4206 B21R3.469754 O[C@@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)F e68130afa29183c42acafcea3b6a914c [0,2,0,0,0,0|1,1,0]=4 4207 B21R3.469754 O[C@@H]1COC[C@@H](C1)NCc2nc3cc(ccc3s2)F cea6d195a1492645b6bdb9c95363c1dc [0,2,0,0,0,0|2,0,0]=4 4208 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2cc3cc(ccc3s2)Cl cb44be4f828c276d2b0f00510bf86f82 [0,2,0,0,0,0|2,0,0]=4 4209 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3cc(ccc3[nH]2)Cl e39c745c36c189ef91daa3f75cc17341 [0,2,0,0,0,0|2,0,0]=4 4210 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3cc(ccc3s2)F 30f70058277aab0f41db6ab5e4c4950c [0,2,0,0,0,0|1,0,0]=3 4211 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3cc(cnc3s2)Cl 00a1e425e828e33e2edbbd923b3200ae [0,2,0,0,0,0|2,0,0]=4 4212 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3[nH]2)F 031d64abd0374598254e856cd05ecaea [0,2,0,0,0,0|2,0,0]=4 4213 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3o2)Cl 8b8b0962ba9b337c99f8900eaf95d5bc [0,2,0,0,0,0|1,1,0]=4 4214 B21R3.469754 O[C@H]1CCC[C@@H](C1)NCc2nc3ccc(cc3o2)F 5a4c7713ca01c0199d3b8109c78e492d [0,2,0,0,0,0|1,1,0]=4 4215 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2cc3cc(ccc3s2)Cl 30ff643406261cc954dd92aafe90e85d [0,2,0,0,0,0|2,0,0]=4 4216 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3cc(ccc3[nH]2)Cl e1ff369bfd39e159818636467b3f98ba [0,2,0,0,0,0|2,0,0]=4 4217 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3cc(ccc3s2)F 815661ab289a56fd66c06051a5427c7d [0,2,0,0,0,0|1,0,0]=3 4218 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3cc(cnc3s2)Cl 9b9fe6a7b34e6ff63b8fddc96ec325bd [0,2,0,0,0,0|2,0,0]=4 4219 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3ccc(cc3[nH]2)F 14f679f1866ddf525448fc58b1ac5136 [0,2,0,0,0,0|2,0,0]=4 4220 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)Cl 61a2a879acad12f1f51f83e4e70247e1 [0,2,0,0,0,0|1,1,0]=4 4221 B21R3.469754 O[C@H]1CCC[C@H](C1)NCc2nc3ccc(cc3o2)F 1043c60436bf178d4b7e1f8c4cb88681 [0,2,0,0,0,0|1,1,0]=4 4222 B21R3.469754 O[C@H]1COC[C@H](C1)NCc2nc3cc(ccc3s2)F bc96c9b34e088ca456a6a0908d123901 [0,2,0,0,0,0|2,0,0]=4 4223 B21R3.469755 CC1CCCC(C1)NCc2cc3c(cccc3s2)Cl c40dd3c64f1003727c9ea3d87f0f0dc9 [0,2,0,0,0,0|2,0,0]=4 4224 B21R3.469755 CC1CCCC(C1)NCc2nc3c(cccc3o2)Cl dc2dec26e624c128c65aa02f4aeb83b8 [0,2,0,0,0,0|1,1,0]=4 4225 B21R3.469755 CC1CCCC(C1)NCc2nc3c(cccc3o2)F 18aededa5c96b0009c2940e4f076fe4c [0,2,0,0,0,0|1,1,0]=4 4226 B21R3.469755 CC1CCCC(C1)NCc2nc3cccc(c3o2)F ff76b34e6f558fb2d0dedaa470817fdf [0,2,0,0,0,0|1,1,0]=4 4227 B21R3.469755 C[C@@H]1CCC[C@H](C1)NCc2cc3c(cccc3s2)Cl ed3cc5ef0ebd0ba7f2a49a94d0d38bac [0,2,0,0,0,0|2,0,0]=4 4228 B21R3.469755 C[C@@H]1CCC[C@H](C1)NCc2nc3c(cccc3o2)Cl cbb62ffa93126735c3294cc023f3e786 [0,2,0,0,0,0|1,1,0]=4 4229 B21R3.469755 C[C@@H]1CCC[C@H](C1)NCc2nc3c(cccc3o2)F 7a81471a3c8322966f9ba7ea92955396 [0,2,0,0,0,0|1,1,0]=4 4230 B21R3.469755 C[C@@H]1CCC[C@H](C1)NCc2nc3cccc(c3o2)F 4be38c5b96061e96d4409467f3a75179 [0,2,0,0,0,0|1,1,0]=4 4231 B21R3.469755 OC1CCCC(C1)NCc2cc3c(cccc3s2)Cl 86ed2183668a6608a88d21f938f6bc34 [0,2,0,0,0,0|2,0,0]=4 4232 B21R3.469755 O[C@@H]1CCC[C@@H](C1)NCc2cc3c(cccc3s2)Cl 570c4b4c80053023d5f3cde9fc0160d3 [0,2,0,0,0,0|2,0,0]=4 4233 B21R3.469755 O[C@@H]1CCC[C@H](C1)NCc2cc3c(cccc3s2)Cl 92f3ecf07259e3116c6360de30417548 [0,2,0,0,0,0|2,0,0]=4 4234 B21R3.469755 O[C@H]1CCC[C@@H](C1)NCc2cc3c(cccc3s2)Cl 0615ece22f7f259bd4b54736f41f6f0b [0,2,0,0,0,0|2,0,0]=4 4235 B21R3.469755 O[C@H]1CCC[C@H](C1)NCc2cc3c(cccc3s2)Cl 6af8a0984c1b72253189857af253d0ef [0,2,0,0,0,0|2,0,0]=4 4236 B21R3.653951 CC1CC(CCN1C)NCc2nc3ccccc3s2 a030c2548970284b53d67575f1ddbc5f [0,2,0,0,0,0|2,0,0]=4 4237 B21R3.653951 CC1CCC(CC1C)OCc2nc3ccccc3s2 fe1a396f0080c20f1ee36c85c7f662c7 [0,2,0,0,0,0|2,0,0]=4 4238 B21R3.653951 CC1CCN(CC1O)CSc2nc3ccccc3s2 646932b517ac3de46101e9a5c6a7e4f2 [0,2,0,0,0,0|2,0,0]=4 4239 B21R3.653951 CC1CN(CCC1O)CSc2nc3ccccc3s2 0d815ebcfc514ac05d807d35360232c4 [0,2,0,0,0,0|2,0,0]=4 4240 B21R3.653951 C[C@@H]1CCN(C[C@@H]1O)CSc2nc3ccccc3s2 38f86328f5f32b7ff532131f65fc5312 [0,2,0,0,0,0|2,0,0]=4 4241 B21R3.653951 C[C@@H]1CCN(C[C@H]1O)CSc2nc3ccccc3s2 c8cbf4b9a0d6fc707656542cdd902aa5 [0,2,0,0,0,0|2,0,0]=4 4242 B21R3.653951 C[C@@H]1CN(CC[C@H]1O)CSc2nc3ccccc3s2 1204f21a60ae9ab78b60e2ebc5170f49 [0,2,0,0,0,0|2,0,0]=4 4243 B21R3.653951 C[C@H]1CCN(C[C@@H]1O)CSc2nc3ccccc3s2 5de3c0e49699290e3dcaba3aee6e7989 [0,2,0,0,0,0|2,0,0]=4 4244 B21R3.653951 C[C@H]1CCN(C[C@H]1O)CSc2nc3ccccc3s2 ece42a61fb0af08b73208df804dc305f [0,2,0,0,0,0|2,0,0]=4 4245 B21R3.653951 C[C@H]1CN(CC[C@H]1O)CSc2nc3ccccc3s2 80d8621dfbce26e558663e7665ca880d [0,2,0,0,0,0|2,0,0]=4 4246 B21R3.653951 C[C@H]1C[C@H](CCN1C)NCc2nc3ccccc3s2 ff57edace6bdaa64bc1052ec00f01f2d [0,2,0,0,0,0|2,0,0]=4 4247 B21R3.653951 O[C@@H]1CCN(C[C@@H]1F)CSc2nc3ccccc3s2 c63b2743282ab72a10cb8fb5c9e2d6f2 [0,2,0,0,0,0|2,0,0]=4 4248 B21R3.653951 O[C@@H]1CCN(C[C@H]1F)CSc2nc3ccccc3s2 705d8f2119c9cde3435e623c137caa03 [0,2,0,0,0,0|2,0,0]=4 4249 B21R3.653951 O[C@@H]1CN(CC[C@H]1F)CSc2nc3ccccc3s2 1ca68198596e7e3e76f3706bec2ad34c [0,2,0,0,0,0|2,0,0]=4 4250 B21R3.653951 O[C@H]1CCN(C[C@@H]1O)CSc2nc3ccccc3s2 f3d04f9134a3c8bda12f41052e50c016 [0,2,0,0,0,0|2,0,0]=4 4251 B21R3.653951 O[C@H]1CN(CC[C@H]1F)CSc2nc3ccccc3s2 2d19aed7f184591c92916887262154e0 [0,2,0,0,0,0|2,0,0]=4 4252 B21R3.7434420 CN1CCCC(C1)(C)NCc2nc3ccccc3s2 c60b03fb831ed7fe29a3193b62071946 [0,2,0,0,0,0|2,0,0]=4 4253 B21R3.7440939 CC(NC1CCCC(=O)C1)c2nc3ccccc3s2 8e8ee1f990bff911b8090930c135e49a [0,2,0,0,0,0|1,0,1]=4 4254 B21R3.7440939 CC(N[C@@H]1CCCN(C1)C)c2nc3ccccc3s2 5e60abfb8b87e0d9160239daf6cbda3c [0,2,0,0,0,0|2,0,0]=4 4255 B21R3.7440939 CC(N[C@H]1CCCN(C1)C)c2nc3ccccc3s2 b0d476a67e00f644be41159323f5716f [0,2,0,0,0,0|2,0,0]=4 4256 B21R3.7440939 CC1CC(CCO1)NC(=O)c2nc3ccccc3s2 011f0cc282788876c23d61d856f3935b [0,2,0,0,0,0|2,0,0]=4 4257 B21R3.7440939 CC1CCCC(C1)NC(=O)c2cc3ccccc3s2 3f0d895203809f9389df3b23b2c955fe [0,2,0,0,0,0|2,0,0]=4 4258 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3ccccc3o2 9d79c08304be19babd3661e2e80a0529 [0,2,0,0,0,0|1,1,0]=4 4259 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3ccccc3s2 ec304b8162ce04d710dce1df77af0bf6 [0,2,0,0,0,0|1,0,0]=3 4260 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3cccnc3s2 8e84080be7fbc0565a6d345ab4d8ecc6 [0,2,0,0,0,0|2,0,0]=4 4261 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3ccncc3s2 cafd9fd561212c4ffd3742816b638119 [0,2,0,0,0,0|2,0,0]=4 4262 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3cnccc3s2 e5f5f91d17e04003453b30ac54b989d3 [0,2,0,0,0,0|2,0,0]=4 4263 B21R3.7440939 CN1CCCC(C1)NC(=O)c2nc3ccccc3s2 fba3459154f472d84df9a931cfee33ec [0,2,0,0,0,0|2,0,0]=4 4264 B21R3.7440939 CN1CCC[C@@H](C1)NC(=O)c2nc3ccccc3s2 7581eed582225bab16438954c8b5e598 [0,2,0,0,0,0|2,0,0]=4 4265 B21R3.7440939 CN1CCC[C@H](C1)NC(=O)c2nc3ccccc3s2 f6595eaea0336ad74657c53dec99dde5 [0,2,0,0,0,0|2,0,0]=4 4266 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2cc3ccccc3s2 e6fc552f37100d8d43347499ae059ae4 [0,2,0,0,0,0|2,0,0]=4 4267 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2nc3ccccc3o2 6842f49e8a844b9ae7a8be6292b51011 [0,2,0,0,0,0|1,1,0]=4 4268 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2nc3ccccc3s2 66d2de1bce0b40d1e8eaedaad2eb6014 [0,2,0,0,0,0|1,0,0]=3 4269 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2nc3cccnc3s2 58a6ec6d2d4a037e68c2b1041a6cdde9 [0,2,0,0,0,0|2,0,0]=4 4270 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2nc3ccncc3s2 30eccc889b076adc8d77541b799df903 [0,2,0,0,0,0|2,0,0]=4 4271 B21R3.7440939 C[C@@H]1CCC[C@H](C1)NC(=O)c2nc3cnccc3s2 bd3d692b1db39d977b89fde3edd669ab [0,2,0,0,0,0|2,0,0]=4 4272 B21R3.7440939 C[C@@H]1C[C@@H](CCO1)NC(=O)c2nc3ccccc3s2 f49759c6ee894ee15a8ae683a203ed22 [0,2,0,0,0,0|2,0,0]=4 4273 B21R3.7440939 C[C@@H]1C[C@H](CCO1)NC(=O)c2nc3ccccc3s2 f7ecbf5a17d5076c9760f3dd57e45306 [0,2,0,0,0,0|2,0,0]=4 4274 B21R3.7440939 C[C@H](NC1CCCC(=O)C1)c2nc3ccccc3s2 b77f0c661aba82f092e5bfe4b902b081 [0,2,0,0,0,0|1,0,1]=4 4275 B21R3.7440939 C[C@H](N[C@@H]1CCCN(C1)C)c2nc3ccccc3s2 e3fc5dd1aef0191c431ff38ba96f1ba5 [0,2,0,0,0,0|2,0,0]=4 4276 B21R3.7440939 C[C@H](N[C@H]1CCCN(C1)C)c2nc3ccccc3s2 2e8d8508e05666ffde6c91654baffc2a [0,2,0,0,0,0|2,0,0]=4 4277 B21R3.7440939 C[C@H]1C[C@@H](CCO1)NC(=O)c2nc3ccccc3s2 118728fdeb5f81751f7b2b2d49000048 [0,2,0,0,0,0|2,0,0]=4 4278 B21R3.7440939 C[C@H]1C[C@H](CCO1)NC(=O)c2nc3ccccc3s2 00cb14d9a29b8afeb3b8e0569f957198 [0,2,0,0,0,0|2,0,0]=4 4279 B21R3.7440939 O=C(NC1CCCC(C1)O)c2cc3ccccc3s2 ab2596a04030bc1d4b1eb57411791bae [0,2,0,0,0,0|2,0,0]=4 4280 B21R3.7440939 O=C(NC1CCCC(C1)O)c2nc3ccccc3o2 923544d2dea41e36144efbfb7ca3a2d1 [0,2,0,0,0,0|1,1,0]=4 4281 B21R3.7440939 O=C(NC1CCCC(C1)O)c2nc3ccccc3s2 f1680f991a5c64bdcf42458bce14d486 [0,2,0,0,0,0|1,0,0]=3 4282 B21R3.7440939 O=C(NC1CCCC(C1)O)c2nc3cccnc3s2 31490e2ecfc7a598f847d1298543b9b6 [0,2,0,0,0,0|2,0,0]=4 4283 B21R3.7440939 O=C(NC1CCCC(C1)O)c2nc3ccncc3s2 41364bcc81c99069086cb91d7ad7b550 [0,2,0,0,0,0|2,0,0]=4 4284 B21R3.7440939 O=C(NC1CCCC(C1)O)c2nc3cnccc3s2 775801a1b927272a64f4ebf551e924aa [0,2,0,0,0,0|2,0,0]=4 4285 B21R3.7440939 O=C(NC1COCC(C1)O)c2nc3ccccc3s2 1b8bd7b77fe54a8e11504a3936643151 [0,2,0,0,0,0|2,0,0]=4 4286 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2cc3ccccc3s2 c2093c0c315e1bcfca18e53698e9150e [0,2,0,0,0,0|2,0,0]=4 4287 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2nc3ccccc3o2 08a8069332532af902be11ea2f5367c3 [0,2,0,0,0,0|1,1,0]=4 4288 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2nc3ccccc3s2 efe3134d5d925dec328ef3b787247f82 [0,2,0,0,0,0|1,0,0]=3 4289 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2nc3cccnc3s2 802ece85c2585f2ff961d75664a0819d [0,2,0,0,0,0|2,0,0]=4 4290 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2nc3ccncc3s2 9463cde828aab23c7c9c742fc10a7ef0 [0,2,0,0,0,0|2,0,0]=4 4291 B21R3.7440939 O=C(N[C@@H]1CCC[C@@H](C1)O)c2nc3cnccc3s2 e8523eea59c03edb4d0b2205a074d570 [0,2,0,0,0,0|2,0,0]=4 4292 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2cc3ccccc3s2 4706096bbae7bf177be4ff7202d29aad [0,2,0,0,0,0|2,0,0]=4 4293 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2nc3ccccc3o2 23123df1085e2d15a98e26db697dfdaf [0,2,0,0,0,0|1,1,0]=4 4294 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2nc3ccccc3s2 c8293ac8fed3ee6dd5b4527487dded02 [0,2,0,0,0,0|1,0,0]=3 4295 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2nc3cccnc3s2 1d25a8bbaf45cbe37c4dfc1bc60c8a2c [0,2,0,0,0,0|2,0,0]=4 4296 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2nc3ccncc3s2 9293bb83347c4e8dfd5ab76bdfc473bf [0,2,0,0,0,0|2,0,0]=4 4297 B21R3.7440939 O=C(N[C@@H]1CCC[C@H](C1)O)c2nc3cnccc3s2 4997287cafc67a289c22c88d4706f70f [0,2,0,0,0,0|2,0,0]=4 4298 B21R3.7440939 O=C(N[C@@H]1COC[C@@H](C1)O)c2nc3ccccc3s2 2668e51b9fd4f31033cb0872ad01db73 [0,2,0,0,0,0|2,0,0]=4 4299 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2cc3ccccc3s2 5ec290e75f0dc646552e47ac1a50506f [0,2,0,0,0,0|2,0,0]=4 4300 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2nc3ccccc3o2 5f2200f2afe6bc0236b0759250472f5e [0,2,0,0,0,0|1,1,0]=4 4301 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2nc3ccccc3s2 ad209099c207552b2d05f8e850aa78a8 [0,2,0,0,0,0|1,0,0]=3 4302 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2nc3cccnc3s2 715f2e9996f2eac9ad7a81fdc31c0c2e [0,2,0,0,0,0|2,0,0]=4 4303 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2nc3ccncc3s2 c7e83096e7bfc2cfb784fa0ac3edb9c0 [0,2,0,0,0,0|2,0,0]=4 4304 B21R3.7440939 O=C(N[C@H]1CCC[C@@H](C1)O)c2nc3cnccc3s2 364f6f3b54f10cd5f2186e35ce5f2f2e [0,2,0,0,0,0|2,0,0]=4 4305 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2cc3ccccc3s2 f429f3d95a620949f7a64b8980e83c23 [0,2,0,0,0,0|2,0,0]=4 4306 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2nc3ccccc3o2 664d3a5c87d85f4dfe1a79b5a844084a [0,2,0,0,0,0|1,1,0]=4 4307 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2nc3ccccc3s2 982a65e8e30fc2e1e12673b9298c581b [0,2,0,0,0,0|1,0,0]=3 4308 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2nc3cccnc3s2 232dc3ecf342257f1d6a0569551b0416 [0,2,0,0,0,0|2,0,0]=4 4309 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2nc3ccncc3s2 029a2aa43e0f9c72c87bc3b84f40a697 [0,2,0,0,0,0|2,0,0]=4 4310 B21R3.7440939 O=C(N[C@H]1CCC[C@H](C1)O)c2nc3cnccc3s2 b15848d05f2d4e48554e8d43b40cd676 [0,2,0,0,0,0|2,0,0]=4 4311 B21R3.7440939 O=C(N[C@H]1COC[C@H](C1)O)c2nc3ccccc3s2 9272697a81b1831bd7102ad88a157ae2 [0,2,0,0,0,0|2,0,0]=4 4312 B21R3.21352 Brc1cc2nc(sc2cc1Br)NCC3CCCCC3 b7b8861ee5751c1b1400b88b3106ff37 [0,2,0,0,0,0|2,0,0]=4 4313 B21R3.21352 Cc1cc2nc([nH]c2cc1C)CNC3CCCCC3 9d5c2e6cb4e94a1d05ea70e5045acb13 [0,2,0,0,0,0|2,0,0]=4 4314 B21R3.21352 Cc1cc2nc(sc2cc1Br)NCC3CCCCC3 0fd4787de90337fd347acd0ae139a072 [0,2,0,0,0,0|2,0,0]=4 4315 B21R3.21352 Cc1cc2nc(sc2cc1C)NCC3CCCCC3 08c38aa1c7b49c6db1a433d3b2491904 [0,2,0,0,0,0|2,0,0]=4 4316 B21R3.21352 Cc1cc2sc(nc2cc1Br)NCC3CCCCC3 593212c60f226491be41e9c74f586818 [0,2,0,0,0,0|2,0,0]=4 4317 B21R3.21352 Cc1cc2sc(nc2cc1Cl)NCC3CCCCC3 bb5334a023c21c3f1b5c41aea23893be [0,2,0,0,0,0|2,0,0]=4 4318 B21R3.21352 Cc1cc2sc(nc2cc1F)NCC3CCCCC3 0cec09806134a94adb490bc6f48c0fdd [0,2,0,0,0,0|2,0,0]=4 4319 B21R3.21352 Clc1cc2nc([nH]c2cc1Cl)CNC3CCCCC3 030f8b27ad60c05f3b94c1435c9155e4 [0,2,0,0,0,0|2,0,0]=4 4320 B21R3.21352 Clc1cc2nc(sc2cc1Cl)NCC3CCCCC3 d68af649bdfad3d2a26115a1bee0cf2b [0,2,0,0,0,0|2,0,0]=4 4321 B21R3.21352 Fc1cc2nc([nH]c2cc1F)CNC3CCCCC3 26d8f6c5337392ded2701faa0395d17e [0,2,0,0,0,0|2,0,0]=4 4322 B21R3.21352 Fc1cc2nc(sc2cc1Cl)NCC3CCCCC3 e4ad1dae2d643e5b1ff19d11a6aa30a2 [0,2,0,0,0,0|2,0,0]=4 4323 B21R3.21352 Fc1cc2nc(sc2cc1F)NCC3CCCCC3 7811c2e9e0f65c47f3a419c94191a365 [0,2,0,0,0,0|2,0,0]=4 4324 B21R3.21352 Fc1cc2sc(nc2cc1Br)NCC3CCCCC3 7c5fd11877c2cebeda215f0829434239 [0,2,0,0,0,0|2,0,0]=4 4325 B21R3.30898 CC1CCC(CC1)CNc2nc3cc(ccc3s2)Br daff77978d54d0a9c4408d85329d2fbc [0,2,0,0,0,0|2,0,0]=4 4326 B21R3.30898 CC1CCC(CC1)CNc2nc3cc(ccc3s2)Cl 121fc8243c58fea6bd3a37203df788b9 [0,2,0,0,0,0|2,0,0]=4 4327 B21R3.30898 CC1CCC(CC1)CNc2nc3cc(ccc3s2)F 6344e8ca43ad973095b4635c3fe80721 [0,2,0,0,0,0|2,0,0]=4 4328 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)Br 7afb84042acdda5514d0c4c8ddfbca74 [0,2,0,0,0,0|2,0,0]=4 4329 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)Cl 5a6ad4a4a347a16348f7774cecfc7730 [0,2,0,0,0,0|2,0,0]=4 4330 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)F dc1179ae597cf6cdd991852b67828480 [0,2,0,0,0,0|2,0,0]=4 4331 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)I 16f2dcd92ca05b7a9ce7c01a0a96d790 [0,2,0,0,0,0|2,0,0]=4 4332 B21R3.30898 CC1CCC(CC1)COc2nc3ccc(cc3s2)Cl 4450aa5c2dc4b40fc1e7ee831b4be69f [0,2,0,0,0,0|1,1,0]=4 4333 B21R3.30898 CC1CCC(CC1)COc2nc3ccc(cc3s2)F ca88457759c00f39f09801426c1b0a33 [0,2,0,0,0,0|1,1,0]=4 4334 B21R3.30898 CC1CCC(CC1)NCc2cc3cc(ccc3s2)Cl c7f71cb1fa7e7374995699ee15b981bf [0,2,0,0,0,0|2,0,0]=4 4335 B21R3.30898 CC1CCC(CC1)NCc2cc3ccc(cc3s2)Br bfaf7308b7dad97e11cd69bf1e6e5677 [0,2,0,0,0,0|2,0,0]=4 4336 B21R3.30898 CC1CCC(CC1)NCc2nc3cc(ccc3[nH]2)Br 8af007ab1f6ec88a1d84a50a6093aab7 [0,2,0,0,0,0|2,0,0]=4 4337 B21R3.30898 CC1CCC(CC1)NCc2nc3cc(ccc3o2)Cl 9a9a934cccaa6045e71cc06ac9cf763b [0,2,0,0,0,0|1,1,0]=4 4338 B21R3.30898 CC1CCC(CC1)NCc2nc3cc(ccc3o2)F d6bbc300cbfd09368fad628c3a817b2a [0,2,0,0,0,0|1,1,0]=4 4339 B21R3.30898 CC1CCC(CC1)NCc2nc3cc(ccc3s2)F 4b49e20949e05210f67a7e4e9a97a0ef [0,2,0,0,0,0|1,0,0]=3 4340 B21R3.30898 CC1CCC(CC1)NCc2nc3cc(cnc3s2)Cl 837ba3530cc958212997b27444fbc8e1 [0,2,0,0,0,0|2,0,0]=4 4341 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3[nH]2)Cl 08fc93c02004f4d8bcf6c1fb7b283357 [0,2,0,0,0,0|2,0,0]=4 4342 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3[nH]2)F 3426c23dacb56b2cfa79620b615b7547 [0,2,0,0,0,0|2,0,0]=4 4343 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3o2)Cl 331e58d27e20e40dfc4ff8df586cf506 [0,2,0,0,0,0|1,1,0]=4 4344 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3o2)F c708f608f742250b303eb997df230733 [0,2,0,0,0,0|1,1,0]=4 4345 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3s2)Br c6a3efe13d8b9770857e8775232caf6c [0,2,0,0,0,0|1,0,0]=3 4346 B21R3.30898 CC1CCC(CC1)NCc2nc3ccc(cc3s2)Cl 28fc4e8a1845e219448d112c4a01a3ba [0,2,0,0,0,0|1,0,0]=3 4347 B21R3.30898 CC1CCC(CC1)OCc2nc3cc(ccc3s2)Br 31ae88e0a1c0e4d8d34dc7cb03964463 [0,2,0,0,0,0|2,0,0]=4 4348 B21R3.30898 CC1CCC(CC1)OCc2nc3cc(ccc3s2)F 10d686a48b75b12c069f83440d706e8b [0,2,0,0,0,0|2,0,0]=4 4349 B21R3.30898 CC1CCC(CC1)OCc2nc3ccc(cc3s2)F d245cf31aea68d084a2a008b5ae83507 [0,2,0,0,0,0|2,0,0]=4 4350 B21R3.30898 CN1CCC(CC1)NCc2nc3cc(ccc3s2)F 04fc4a5a29df2fac262cd36ac0c256af [0,2,0,0,0,0|2,0,0]=4 4351 B21R3.30898 CN1CCC(CC1)NCc2nc3ccc(cc3s2)Br 917c27ed5a38129721f29f76c29ab72c [0,2,0,0,0,0|2,0,0]=4 4352 B21R3.30898 CN1CCC(CC1)NCc2nc3ccc(cc3s2)Cl 4fcff95a415542b34cb3e353524e6a9f [0,2,0,0,0,0|2,0,0]=4 4353 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Cl fcf7ff7515cf49aabac1be76d5209265 [0,2,0,0,0,0|2,0,0]=4 4354 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3ccc(cc3s2)Br c0b21bdfb1482c5ab7cf5495a91426b9 [0,2,0,0,0,0|2,0,0]=4 4355 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Br 0cb115f789d6f32dfa02ef5d8eef627f [0,2,0,0,0,0|2,0,0]=4 4356 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Cl 1b35ad10669cecfc50657edbeea21897 [0,2,0,0,0,0|2,0,0]=4 4357 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)Cl 2d1ab44994964879e241ce7b447f0364 [0,2,0,0,0,0|1,1,0]=4 4358 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)F 972681e5b1734741af558cf2bf0ab33f [0,2,0,0,0,0|1,1,0]=4 4359 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3s2)F afb7710d59aec78f66a752921e09cd4d [0,2,0,0,0,0|1,0,0]=3 4360 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(cnc3s2)Cl 4d72fb68de750555a40b58fb3483bb80 [0,2,0,0,0,0|2,0,0]=4 4361 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3[nH]2)F a9816d1bf26eb4d0fd013b58b8395651 [0,2,0,0,0,0|2,0,0]=4 4362 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)Cl da9027a87b55b67ee50b391ab0dcb971 [0,2,0,0,0,0|1,1,0]=4 4363 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)F 8768926f23b905ac904b6e6e780489e8 [0,2,0,0,0,0|1,1,0]=4 4364 B21R3.30898 C[C@H]1CC[C@@H](CC1)OCc2nc3cc(ccc3s2)Br d2cb612e62cd7ff95ed2b7d8d52890e4 [0,2,0,0,0,0|2,0,0]=4 4365 B21R3.30898 C[C@H]1CC[C@@H](CC1)OCc2nc3cc(ccc3s2)F 39eaa8166a52aa4ae6de43601cfe55c1 [0,2,0,0,0,0|2,0,0]=4 4366 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Cl 9a91145464305711e66a2905d6f56441 [0,2,0,0,0,0|2,0,0]=4 4367 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2cc3ccc(cc3s2)Br 4d70dda241dd1fe602b6656bdc7d33f2 [0,2,0,0,0,0|2,0,0]=4 4368 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)Br 26af95151fb7f55be9745e25ef33ecb6 [0,2,0,0,0,0|2,0,0]=4 4369 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)Cl dc406532397641e49717c270247c33ae [0,2,0,0,0,0|2,0,0]=4 4370 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3o2)Cl 3c78447a0a9a50c5d7f351c951432b1a [0,2,0,0,0,0|1,1,0]=4 4371 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3o2)F 1ba3f484a6b984578e2edceacba1fdfc [0,2,0,0,0,0|1,1,0]=4 4372 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3s2)F 68108fbc55c92d58037030a9bcd01ba8 [0,2,0,0,0,0|1,0,0]=3 4373 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3cc(cnc3s2)Cl 2c11a3e2bdab8cb3701a760f494e7b29 [0,2,0,0,0,0|2,0,0]=4 4374 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3[nH]2)F a3aa6428363cc71a140544429aa9229a [0,2,0,0,0,0|2,0,0]=4 4375 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3o2)Cl 760016372415f014ba51f2a11a9748f2 [0,2,0,0,0,0|1,1,0]=4 4376 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3o2)F cbc8dbb1c4f20903c48f275e9834574d [0,2,0,0,0,0|1,1,0]=4 4377 B21R3.30898 C[C@H]1CC[C@H](CC1)OCc2nc3cc(ccc3s2)Br 785dd7e77bc9347844253e9e36d94591 [0,2,0,0,0,0|2,0,0]=4 4378 B21R3.30898 C[C@H]1CC[C@H](CC1)OCc2nc3cc(ccc3s2)F 5e8fab2776c263a56e1d5122646d1288 [0,2,0,0,0,0|2,0,0]=4 4379 B21R3.30898 Cc1ccc2[nH]c(nc2c1)CNC3CCC(CC3)C 9adfbece60bdd5f6df4316d29c8f3aef [0,2,0,0,0,0|2,0,0]=4 4380 B21R3.30898 Cc1ccc2[nH]c(nc2c1)CNC3CCC(CC3)O 7edd868b7d3e07ad7fbafb3afaae55b8 [0,2,0,0,0,0|2,0,0]=4 4381 B21R3.30898 Cc1ccc2nc([nH]c2c1)CNC3CCC(CC3)Cl 6cc5e050040c2fcfdbf828ba53a4bedf [0,2,0,0,0,0|2,0,0]=4 4382 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)C d6d7a0faa6241dd7fac89912751d856d [0,2,0,0,0,0|2,0,0]=4 4383 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)Cl 37760a5805f76b716df20780889b78d5 [0,2,0,0,0,0|2,0,0]=4 4384 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)O 434d01fb925e61a66eb52e8c39833026 [0,2,0,0,0,0|2,0,0]=4 4385 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@H](CC3)C fa8ea6a075b3c51783581803623fbee1 [0,2,0,0,0,0|2,0,0]=4 4386 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@H](CC3)Cl 75bfbd403657b63876e2fa96e0fc1eea [0,2,0,0,0,0|2,0,0]=4 4387 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@H](CC3)O 7b56c63af3e738064da4ca9a33de04db [0,2,0,0,0,0|2,0,0]=4 4388 B21R3.30898 Cc1ccc2nc(oc2c1)CNC3CCC(CC3)C 0ed14a8ece150ff5ff07005c2971052b [0,2,0,0,0,0|1,1,0]=4 4389 B21R3.30898 Cc1ccc2nc(oc2c1)CNC3CCC(CC3)Cl bc197f757968dea2109be2ca4d8f9e8f [0,2,0,0,0,0|1,1,0]=4 4390 B21R3.30898 Cc1ccc2nc(oc2c1)CNC3CCC(CC3)O 3b50890d67bd6c9742f29baaee82466a [0,2,0,0,0,0|1,1,0]=4 4391 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)C dfb3002e2a5268a7e5f1929e83ee2d95 [0,2,0,0,0,0|1,1,0]=4 4392 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)Cl dd8d91028330f1d8222b287182383f92 [0,2,0,0,0,0|1,1,0]=4 4393 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)O 9fa2845b32340962a7c1d509532b79c5 [0,2,0,0,0,0|1,1,0]=4 4394 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@H](CC3)C bb7da65557b8acbe1ae0ac20360979f5 [0,2,0,0,0,0|1,1,0]=4 4395 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@H](CC3)Cl 9cc70af4daede1bfc60e1b045a79dee0 [0,2,0,0,0,0|1,1,0]=4 4396 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@H](CC3)O 45fe384aa72a03e203a92411f61c555e [0,2,0,0,0,0|1,1,0]=4 4397 B21R3.30898 Cc1ccc2nc(sc2c1)NCC3CCC(CC3)C 5b2dcf190d7459087b1dec80247c45d3 [0,2,0,0,0,0|2,0,0]=4 4398 B21R3.30898 Cc1ccc2nc(sc2c1)OCC3CCC(CC3)C e7cecc50ef38f4a96d610f1c2d3f3400 [0,2,0,0,0,0|1,1,0]=4 4399 B21R3.30898 Cc1ccc2oc(nc2c1)CNC3CCC(CC3)C 046699ec35a477d610f07c5a472b0873 [0,2,0,0,0,0|1,1,0]=4 4400 B21R3.30898 Cc1ccc2oc(nc2c1)CNC3CCC(CC3)Cl 57c5bc85f6cf5e71dd1f8fc18b0cdd8d [0,2,0,0,0,0|1,1,0]=4 4401 B21R3.30898 Cc1ccc2oc(nc2c1)CNC3CCC(CC3)O ab304974f58ae023d738af53fa9dc30c [0,2,0,0,0,0|1,1,0]=4 4402 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)C 4fbcb598f08c5ef8f242cebd2d8868ec [0,2,0,0,0,0|1,1,0]=4 4403 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl 3185c11636e985239d758beae7da45ff [0,2,0,0,0,0|1,1,0]=4 4404 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)O 67a6459723c764b521151b139c4ac2d2 [0,2,0,0,0,0|1,1,0]=4 4405 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@H](CC3)C f5073376b824a3baf9878e865eb824c2 [0,2,0,0,0,0|1,1,0]=4 4406 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@H](CC3)Cl 15e4c442e20f5370c8501cbb9fc4b710 [0,2,0,0,0,0|1,1,0]=4 4407 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@H](CC3)O 1e602affddb27da9fb0455a0e6ff05c7 [0,2,0,0,0,0|1,1,0]=4 4408 B21R3.30898 Cc1ccc2sc(nc2c1)NCC3CCC(CC3)C 559522bc10c7ff6fbddd564c8f6d76ed [0,2,0,0,0,0|2,0,0]=4 4409 B21R3.30898 Clc1ccc2[nH]c(nc2c1)CNC3CCC(CC3)Cl 0ab99971e9b60371da22798c806b8097 [0,2,0,0,0,0|2,0,0]=4 4410 B21R3.30898 Clc1ccc2[nH]c(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl 8a76f76e8da260821c48a005c43b3651 [0,2,0,0,0,0|2,0,0]=4 4411 B21R3.30898 Clc1ccc2[nH]c(nc2c1)CN[C@H]3CC[C@H](CC3)Cl 498bbb32290c0f2c209fcfcbc5e3805a [0,2,0,0,0,0|2,0,0]=4 4412 B21R3.30898 Clc1ccc2nc(oc2c1)CNC3CCC(CC3)Cl 3c3cea4e9fd97a7259c06fb17ea0c28e [0,2,0,0,0,0|1,1,0]=4 4413 B21R3.30898 Clc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)Cl d92747763f0af6c8d006d347879be01b [0,2,0,0,0,0|1,1,0]=4 4414 B21R3.30898 Clc1ccc2nc(oc2c1)CN[C@H]3CC[C@H](CC3)Cl c2a61d8840833b38bbd9e1225c82c898 [0,2,0,0,0,0|1,1,0]=4 4415 B21R3.30898 Clc1ccc2oc(nc2c1)CNC3CCC(CC3)Cl 827f4608c9246b204006da1f05362936 [0,2,0,0,0,0|1,1,0]=4 4416 B21R3.30898 Clc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl f8e9eb14f8a585f14febf9b90e3b68af [0,2,0,0,0,0|1,1,0]=4 4417 B21R3.30898 Clc1ccc2oc(nc2c1)CN[C@H]3CC[C@H](CC3)Cl cc452d1a572ea89531aed3b8f1f1137d [0,2,0,0,0,0|1,1,0]=4 4418 B21R3.30898 Clc1ccc2sc(cc2c1)CNC3CCC(CC3)Cl 7816cb4f01d5fc2e6866754a26e85a69 [0,2,0,0,0,0|2,0,0]=4 4419 B21R3.30898 Clc1ccc2sc(cc2c1)CN[C@H]3CC[C@@H](CC3)Cl 7d2aad6d138af00d1d94babec51682d3 [0,2,0,0,0,0|2,0,0]=4 4420 B21R3.30898 Clc1ccc2sc(cc2c1)CN[C@H]3CC[C@H](CC3)Cl 05be0be13a662cdff9c352e73b987f65 [0,2,0,0,0,0|2,0,0]=4 4421 B21R3.30898 Clc1cnc2sc(nc2c1)CNC3CCC(CC3)Cl 7f98c0873a7a1fe6d2a8f3572bde3de8 [0,2,0,0,0,0|2,0,0]=4 4422 B21R3.30898 Clc1cnc2sc(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl ec6146eef0948155aeee9fd179f45013 [0,2,0,0,0,0|2,0,0]=4 4423 B21R3.30898 Clc1cnc2sc(nc2c1)CN[C@H]3CC[C@H](CC3)Cl 8a687c716fe7e186c08643f1e1719882 [0,2,0,0,0,0|2,0,0]=4 4424 B21R3.30898 FC1CCC(CC1)OCc2nc3cc(ccc3s2)Br 61922e5360d88d5ff85fca6f45abf61b [0,2,0,0,0,0|2,0,0]=4 4425 B21R3.30898 Fc1ccc2nc([nH]c2c1)CNC3CCC(CC3)Cl 5d29486343f4d277eed39392f065bb5e [0,2,0,0,0,0|2,0,0]=4 4426 B21R3.30898 Fc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)Cl 235b809b8a34ceaf6b8836e48840b3f9 [0,2,0,0,0,0|2,0,0]=4 4427 B21R3.30898 Fc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@H](CC3)Cl d46b6bed2d5f199b939ea97daf41f631 [0,2,0,0,0,0|2,0,0]=4 4428 B21R3.30898 Fc1ccc2nc(oc2c1)CNC3CCC(CC3)Cl 50ebf75ffe2e939ca84969feedb50339 [0,2,0,0,0,0|1,1,0]=4 4429 B21R3.30898 Fc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)Cl 6b5599017bae119b2615c6690c055f2c [0,2,0,0,0,0|1,1,0]=4 4430 B21R3.30898 Fc1ccc2nc(oc2c1)CN[C@H]3CC[C@H](CC3)Cl 6f7fe6fe26609eeedf5079ed90da5d11 [0,2,0,0,0,0|1,1,0]=4 4431 B21R3.30898 Fc1ccc2oc(nc2c1)CNC3CCC(CC3)Cl e007d4bd97689a7057677aa460dbdf86 [0,2,0,0,0,0|1,1,0]=4 4432 B21R3.30898 Fc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl 3c092a056b7d57ab43fba2be71e9bbde [0,2,0,0,0,0|1,1,0]=4 4433 B21R3.30898 Fc1ccc2oc(nc2c1)CN[C@H]3CC[C@H](CC3)Cl 509d2399e186586c387ce70a5cb3cfb4 [0,2,0,0,0,0|1,1,0]=4 4434 B21R3.30898 Fc1ccc2sc(nc2c1)CNC3CCC(CC3)Cl f08eb2a1084fc27df290b10b71d723a2 [0,2,0,0,0,0|1,0,0]=3 4435 B21R3.30898 Fc1ccc2sc(nc2c1)CN[C@H]3CC[C@@H](CC3)Cl 1523a49b78827d96421d98b5b8843797 [0,2,0,0,0,0|1,0,0]=3 4436 B21R3.30898 Fc1ccc2sc(nc2c1)CN[C@H]3CC[C@H](CC3)Cl 3cc3c200e1a33e682bd3ee2b75d166e1 [0,2,0,0,0,0|1,0,0]=3 4437 B21R3.30898 Fc1ccc2sc(nc2c1)COC3CCC(CC3)F 36c2c4b41aa9297d7f9749d283f2d383 [0,2,0,0,0,0|2,0,0]=4 4438 B21R3.30898 O=C1CCC(CC1)NCc2nc3ccc(cc3s2)Br 2a02af3508c2b06210ded7ea7dc8ba48 [0,2,0,0,0,0|1,0,1]=4 4439 B21R3.30898 O=C1CCC(CC1)NCc2nc3ccc(cc3s2)Cl 4a18fc0ab96a70e950e5a527a6659bcb [0,2,0,0,0,0|1,0,1]=4 4440 B21R3.30898 OC1CCC(CC1)NCc2cc3cc(ccc3s2)Cl 19d4f6400009338e22cf6c69af48f826 [0,2,0,0,0,0|2,0,0]=4 4441 B21R3.30898 OC1CCC(CC1)NCc2nc3cc(ccc3[nH]2)Br 65bb486add4bec2ee38517e934e2f3a8 [0,2,0,0,0,0|2,0,0]=4 4442 B21R3.30898 OC1CCC(CC1)NCc2nc3cc(ccc3o2)Cl 4eed1466ae54e2d8b74eb7fe679279c1 [0,2,0,0,0,0|1,1,0]=4 4443 B21R3.30898 OC1CCC(CC1)NCc2nc3cc(ccc3s2)F 40285d28e52766bb191a302804bd1aa6 [0,2,0,0,0,0|1,0,0]=3 4444 B21R3.30898 OC1CCC(CC1)NCc2nc3cc(cnc3s2)Cl 6403f55d633e7bc6038d38ff5f287657 [0,2,0,0,0,0|2,0,0]=4 4445 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3[nH]2)Cl a8c8312a373c8e5c2c04de80b13bebc5 [0,2,0,0,0,0|2,0,0]=4 4446 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3[nH]2)F 4702f21bdd981410264326f8ba1e391c [0,2,0,0,0,0|2,0,0]=4 4447 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3o2)Cl 1f5914a5d5c92faef7e106b7296a79c3 [0,2,0,0,0,0|1,1,0]=4 4448 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3o2)F f11845db98179997df9afa5b864e2042 [0,2,0,0,0,0|1,1,0]=4 4449 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3s2)Br 2831c19459fb2a0553800218a189882e [0,2,0,0,0,0|1,0,0]=3 4450 B21R3.30898 OC1CCC(CC1)NCc2nc3ccc(cc3s2)Cl 9af11fe1fa003e5059e76a3060312d09 [0,2,0,0,0,0|1,0,0]=3 4451 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Cl 136f6f0eb8618ef79bfd5a6b1a37ac71 [0,2,0,0,0,0|2,0,0]=4 4452 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Br 8f6408faad5a04af85b7713067b6d8f0 [0,2,0,0,0,0|2,0,0]=4 4453 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Cl c3c126fe290b31cdbda1b926c5d6e8da [0,2,0,0,0,0|2,0,0]=4 4454 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)Cl 8699e183e66fbf459966f3bb5d7f9cca [0,2,0,0,0,0|1,1,0]=4 4455 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3s2)F f15e4a5c25659252af59450219c495cd [0,2,0,0,0,0|1,0,0]=3 4456 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3cc(cnc3s2)Cl 80c2d063c39114afd996b11f081d599c [0,2,0,0,0,0|2,0,0]=4 4457 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3[nH]2)F 1e7d020e0d90d4363343b38b5daac9d1 [0,2,0,0,0,0|2,0,0]=4 4458 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)Cl a38a32b4dc3160962d67c6fd271f720f [0,2,0,0,0,0|1,1,0]=4 4459 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)F 5324a96f3e011c478fedb2a082ee4a0f [0,2,0,0,0,0|1,1,0]=4 4460 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Cl ad5c1a208556d57550decef57d773fd3 [0,2,0,0,0,0|2,0,0]=4 4461 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)Br aecc243cb35bb60cb1ced5db94ba8cc0 [0,2,0,0,0,0|2,0,0]=4 4462 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)Cl 926dc3478140ecf2456d3178ee3aee41 [0,2,0,0,0,0|2,0,0]=4 4463 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3o2)Cl 60cd54943e644840b1390a0bd5f69b98 [0,2,0,0,0,0|1,1,0]=4 4464 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3s2)F 34875dadede0a3398ae29962b43457e4 [0,2,0,0,0,0|1,0,0]=3 4465 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(cnc3s2)Cl 2f195fce1556f45de4bbacc1db39eb34 [0,2,0,0,0,0|2,0,0]=4 4466 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3[nH]2)F 4d2f4e02d6020fbfc8642c1d211dba22 [0,2,0,0,0,0|2,0,0]=4 4467 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3o2)Cl 9d7af85057873b0be86b6d758ee9d549 [0,2,0,0,0,0|1,1,0]=4 4468 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3o2)F d7da2dd414ac0f73db8a78a5ceb008f5 [0,2,0,0,0,0|1,1,0]=4 4469 B21R3.71105 CCc1ccc2nc(sc2c1)NCC3CCCCC3 69d54511ba4ec4fc62569e616ec66c9c [0,2,0,0,0,0|2,0,0]=4 4470 B21R3.71105 CCc1ccc2sc(nc2c1)NCC3CCCCC3 1b3ff8ec63b6b482feb4dff8e9d3941e [0,2,0,0,0,0|2,0,0]=4 4471 B21R3.71105 COc1ccc2nc(sc2c1)NCC3CCCCC3 25c9c31637fce3044e485fc0dc35c39e [0,2,0,0,0,0|2,0,0]=4 4472 B21R3.71105 COc1ccc2nc(sc2c1)OCC3CCCCC3 884808e4ba6b2638c26217dded9cfd86 [0,2,0,0,0,0|1,1,0]=4 4473 B21R3.71105 COc1ccc2sc(nc2c1)NCC3CCCCC3 682418e687ae47857ab00251e188659b [0,2,0,0,0,0|2,0,0]=4 4474 B21R3.71105 CSc1ccc2nc(sc2c1)NCC3CCCCC3 732d9e2cc23edbb38dc4833789281e4f [0,2,0,0,0,0|2,0,0]=4 4475 B21R3.71105 N#Cc1ccc2nc(sc2c1)NCC3CCCCC3 44931e1e02158ca47af1bb94b0a33505 [0,2,0,0,0,0|2,0,0]=4 4476 B21R3.71105 N#Cc1ccc2sc(nc2c1)NCC3CCCCC3 fe52c14b6f14cb203a5ffb36b651c524 [0,2,0,0,0,0|2,0,0]=4 4477 B21R3.71105 O=Cc1ccc2nc(sc2c1)NCC3CCCCC3 e8e50bb7ef8ee0c668175e214c872c1d [0,2,0,0,0,0|2,0,0]=4 4478 B21R3.71105 OCc1ccc2nc(sc2c1)NCC3CCCCC3 c910462be152fcc430100cfe1911e278 [0,2,0,0,0,0|2,0,0]=4 4479 B21R3.154829 CC(NC1CCCCC1)c2nc3ccc(cc3o2)Cl 410d04d997cbabc7cba9796f8333edba [0,2,0,0,0,0|1,1,0]=4 4480 B21R3.154829 CN(CC1CCCCC1)c2nc3ccc(cc3s2)Br 33a9e5129a7d09f3af28505ea72e36bc [0,2,0,0,0,0|2,0,0]=4 4481 B21R3.154829 Cc1ccc2nc(sc2c1)C(=O)NC3CCCOC3 3987d842accd7cfddc061a144ba4339f [0,2,0,0,0,0|2,0,0]=4 4482 B21R3.154829 Cc1ccc2nc(sc2c1)C(=O)NC3CCOCC3 4026354c9599a42ca9be610e9bef9fb8 [0,2,0,0,0,0|2,0,0]=4 4483 B21R3.154829 Cc1ccc2nc(sc2c1)C(=O)NC3CCSCC3 ae07284c4afc633f9c485de1fc542f15 [0,2,0,0,0,0|2,0,0]=4 4484 B21R3.154829 Cc1ccc2nc(sc2c1)C(=O)N[C@@H]3CCCOC3 3874701716db8b0f15ec4aca1ff02faf [0,2,0,0,0,0|2,0,0]=4 4485 B21R3.154829 Cc1ccc2nc(sc2c1)C(=O)N[C@H]3CCCOC3 ccde6fb8ca8e9a15973fd16b9d7fc1d5 [0,2,0,0,0,0|2,0,0]=4 4486 B21R3.154829 O=C(NC1CCCOC1)c2nc3cc(ccc3s2)Br 4d2b711dbead56d9c23ac8b13a9ff9e7 [0,2,0,0,0,0|2,0,0]=4 4487 B21R3.154829 O=C(NC1CCCOC1)c2nc3cc(ccc3s2)Cl 09c65bd5243f0b73f36c3fddda8c2fd3 [0,2,0,0,0,0|2,0,0]=4 4488 B21R3.154829 O=C(NC1CCCOC1)c2nc3ccc(cc3s2)Br fcfb14ec80bd1486ca6e07dde09c13b6 [0,2,0,0,0,0|2,0,0]=4 4489 B21R3.154829 O=C(NC1CCCOC1)c2nc3ccc(cc3s2)Cl ba354955253b971be4ac199878460f4e [0,2,0,0,0,0|2,0,0]=4 4490 B21R3.154829 O=C(NC1CCCOC1)c2nc3ccc(cc3s2)F d573fc78462f0b6322cceb7a4b5e7e5b [0,2,0,0,0,0|2,0,0]=4 4491 B21R3.154829 O=C(NC1CCOCC1)c2nc3cc(ccc3s2)Br 7ebabdec21f68387370f85ca9c696a18 [0,2,0,0,0,0|2,0,0]=4 4492 B21R3.154829 O=C(NC1CCOCC1)c2nc3cc(ccc3s2)Cl 257fd370d639fac0a71ac0cc1fb89cda [0,2,0,0,0,0|2,0,0]=4 4493 B21R3.154829 O=C(NC1CCOCC1)c2nc3ccc(cc3s2)Br eb4d71f2767d606cf0ee88d44d664ae8 [0,2,0,0,0,0|2,0,0]=4 4494 B21R3.154829 O=C(NC1CCOCC1)c2nc3ccc(cc3s2)Cl 522ac8e772409f0cb83a45f807485832 [0,2,0,0,0,0|2,0,0]=4 4495 B21R3.154829 O=C(NC1CCOCC1)c2nc3ccc(cc3s2)F 841305d1029c727dd6252133aab1e04e [0,2,0,0,0,0|2,0,0]=4 4496 B21R3.154829 O=C(NC1CCSCC1)c2nc3cc(ccc3s2)Br 6f0f6e4c07a4a40b8bcf33937d6d2248 [0,2,0,0,0,0|2,0,0]=4 4497 B21R3.154829 O=C(NC1CCSCC1)c2nc3cc(ccc3s2)Cl 628e67d2308f5f3e89b93a1695838128 [0,2,0,0,0,0|2,0,0]=4 4498 B21R3.154829 O=C(NC1CCSCC1)c2nc3ccc(cc3s2)Br d364bb12ea56a8a08087eb86fd808ac8 [0,2,0,0,0,0|2,0,0]=4 4499 B21R3.154829 O=C(NC1CCSCC1)c2nc3ccc(cc3s2)Cl 2eb2dbd35c7092ab9f35e6713de0641c [0,2,0,0,0,0|2,0,0]=4 4500 B21R3.154829 O=C(NC1CCSCC1)c2nc3ccc(cc3s2)F edbabc503b7343d97d614f6416a1e53b [0,2,0,0,0,0|2,0,0]=4 4501 B21R3.154829 O=C(N[C@@H]1CCCOC1)c2nc3cc(ccc3s2)Br 84dba10875f72e4c4703a1ba118237f3 [0,2,0,0,0,0|2,0,0]=4 4502 B21R3.154829 O=C(N[C@@H]1CCCOC1)c2nc3cc(ccc3s2)Cl 8830444e607a479b40ef5ea3d4ee45e4 [0,2,0,0,0,0|2,0,0]=4 4503 B21R3.154829 O=C(N[C@@H]1CCCOC1)c2nc3ccc(cc3s2)Br 992adc6fdc4d21cd91712d681c6a664b [0,2,0,0,0,0|2,0,0]=4 4504 B21R3.154829 O=C(N[C@@H]1CCCOC1)c2nc3ccc(cc3s2)Cl 3768a1036328f2b026b6e671391cb2e6 [0,2,0,0,0,0|2,0,0]=4 4505 B21R3.154829 O=C(N[C@@H]1CCCOC1)c2nc3ccc(cc3s2)F 8221ea6f0a49be35679a3f97586df3db [0,2,0,0,0,0|2,0,0]=4 4506 B21R3.154829 O=C(N[C@H]1CCCOC1)c2nc3cc(ccc3s2)Br ba047dc2020db5cf8cd6ec392d1c09e0 [0,2,0,0,0,0|2,0,0]=4 4507 B21R3.154829 O=C(N[C@H]1CCCOC1)c2nc3cc(ccc3s2)Cl 3239b4bf6b325f7fe294db5b8a1b6148 [0,2,0,0,0,0|2,0,0]=4 4508 B21R3.154829 O=C(N[C@H]1CCCOC1)c2nc3ccc(cc3s2)Br 92f6e9b4ec39853f0f2916192d7d183a [0,2,0,0,0,0|2,0,0]=4 4509 B21R3.154829 O=C(N[C@H]1CCCOC1)c2nc3ccc(cc3s2)Cl cdab0dbe3151486a97ea139d545e42bb [0,2,0,0,0,0|2,0,0]=4 4510 B21R3.154829 O=C(N[C@H]1CCCOC1)c2nc3ccc(cc3s2)F d276ccc998d46ab09d4ca9f475c58402 [0,2,0,0,0,0|2,0,0]=4 4511 B21R3.154830 Cc1c(ccc2c1nc(s2)NCC3CCCCC3)Br 1468d18a6f34c3fa40dadc065fb482d2 [0,2,0,0,0,0|2,0,0]=4 4512 B21R3.154830 Cc1c(ccc2c1nc(s2)NCC3CCCCC3)Cl fdbdb52ef9b885b740f49f5b7a8db707 [0,2,0,0,0,0|2,0,0]=4 4513 B21R3.154830 Cc1c(ccc2c1nc(s2)NCC3CCCCC3)F f5a6b8a610005ff3ecda9ea0f60ca8c7 [0,2,0,0,0,0|2,0,0]=4 4514 B21R3.154830 Cc1c(ccc2c1sc(n2)NCC3CCCCC3)Br aca6aeab10e7b3344adf04c8057ae742 [0,2,0,0,0,0|2,0,0]=4 4515 B21R3.154830 Cc1ccc2sc(nc2c1Br)NCC3CCCCC3 5fa3a27bc6070eccbe76a27877e337e9 [0,2,0,0,0,0|2,0,0]=4 4516 B21R3.154830 Cc1ccc2sc(nc2c1C)NCC3CCCCC3 177c76a2d2f25b73245bad1dc871cb92 [0,2,0,0,0,0|2,0,0]=4 4517 B21R3.154830 Clc1ccc2nc(sc2c1Cl)NCC3CCCCC3 0581d132a382f989b83472f318229c65 [0,2,0,0,0,0|2,0,0]=4 4518 B21R3.154830 Clc1ccc2sc(nc2c1Cl)NCC3CCCCC3 dd32c69d77adf0753debe0883cad4ef9 [0,2,0,0,0,0|2,0,0]=4 4519 B21R3.154830 Fc1c(ccc2c1nc(s2)NCC3CCCCC3)Br 6ee40c204092468c8b73dbe3453513e7 [0,2,0,0,0,0|2,0,0]=4 4520 B21R3.154830 Fc1ccc2nc([nH]c2c1F)CNC3CCCCC3 d343dffbf2738e636b8c966ead36de19 [0,2,0,0,0,0|2,0,0]=4 4521 B21R3.154830 Fc1ccc2sc(nc2c1Br)NCC3CCCCC3 1c2a73874d1b2f64c8e0c13d225565da [0,2,0,0,0,0|2,0,0]=4 4522 B21R3.154830 Fc1ccc2sc(nc2c1F)NCC3CCCCC3 de27cb9da91a11190d58ef6d2da80687 [0,2,0,0,0,0|2,0,0]=4 4523 B21R3.475880 Cc1cc(c2nc(sc2c1)NCC3CCCCC3)Br 1572fdb6b27cb751f218a2f204ba9346 [0,2,0,0,0,0|2,0,0]=4 4524 B21R3.475880 Cc1cc(c2nc(sc2c1)NCC3CCCCC3)C 849ae9dc053113b4e817e0f8048e962a [0,2,0,0,0,0|2,0,0]=4 4525 B21R3.475880 Cc1cc(c2nc(sc2c1)NCC3CCCCC3)Cl d6eed47079795f125b8bcf8abe4678a4 [0,2,0,0,0,0|2,0,0]=4 4526 B21R3.475880 Cc1cc(c2sc(nc2c1)NCC3CCCCC3)C af95ef2a696c7645aa5c71945c1a6bba [0,2,0,0,0,0|2,0,0]=4 4527 B21R3.475880 Cc1cc(cc2c1nc(s2)NCC3CCCCC3)Br c5f74d196f6b62434f6789dbabcd5508 [0,2,0,0,0,0|2,0,0]=4 4528 B21R3.475880 Cc1cc(cc2c1nc(s2)NCC3CCCCC3)Cl d269e4efde33e6fc0855a4cae35dd2a5 [0,2,0,0,0,0|2,0,0]=4 4529 B21R3.475880 Cc1cc(cc2c1nc(s2)NCC3CCCCC3)F e26697a8a02e07cd34a30dcbb3bd24cc [0,2,0,0,0,0|2,0,0]=4 4530 B21R3.475880 Clc1cc(c2nc(sc2c1)NCC3CCCCC3)Br 96bb9460ee74ec7742fa7d55294a3cf1 [0,2,0,0,0,0|2,0,0]=4 4531 B21R3.475880 Clc1cc(c2nc(sc2c1)NCC3CCCCC3)Cl 59af78f01d6d78a8118a7695feda905f [0,2,0,0,0,0|2,0,0]=4 4532 B21R3.475880 Clc1cc(c2sc(nc2c1)NCC3CCCCC3)Cl 6a6dcf3c94551b4675d0758463200f3a [0,2,0,0,0,0|2,0,0]=4 4533 B21R3.475880 Clc1cc(cc2c1nc(s2)NCC3CCCCC3)Br 0c15b36f53debd15349a418bccf84a11 [0,2,0,0,0,0|2,0,0]=4 4534 B21R3.475880 Fc1cc(c2nc(sc2c1)NCC3CCCCC3)Br f227bfa1eef16ebb45c30ba89f91e5f7 [0,2,0,0,0,0|2,0,0]=4 4535 B21R3.475880 Fc1cc(c2nc(sc2c1)NCC3CCCCC3)Cl bbce3d5707c6b760c7ce84eef09926c4 [0,2,0,0,0,0|2,0,0]=4 4536 B21R3.475880 Fc1cc(c2nc(sc2c1)NCC3CCCCC3)F 442e168233d8c39ce40fe5a5dd4b64f3 [0,2,0,0,0,0|2,0,0]=4 4537 B21R3.475880 Fc1cc(c2sc(nc2c1)NCC3CCCCC3)F 2c6e61ee5781e41f1e59b92d512f9830 [0,2,0,0,0,0|2,0,0]=4 4538 B21R3.475880 Fc1cc(cc2c1nc(s2)NCC3CCCCC3)Br 4c3f8b09cf94b5632b6da2757789017a [0,2,0,0,0,0|2,0,0]=4 4539 B21R3.475880 Fc1cc(cc2c1nc(s2)NCC3CCCCC3)Cl b2b4a47999eae673acfaa8d01d3c0ccf [0,2,0,0,0,0|2,0,0]=4 4540 B21R3.3871600 CC1CCCCC1CNc2nc3ccc(cc3s2)F a7ba8c6a569e14b0ea0817688cb8505e [0,2,0,0,0,0|2,0,0]=4 4541 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Cl a92ff0e08c56b627d0a42471914fe78f [0,2,0,0,0,0|2,0,0]=4 4542 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)Br 421ea6cdfb77347f8c107f5cfda8cd3d [0,2,0,0,0,0|2,0,0]=4 4543 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)Cl 3a1da4bbdf0058b972c072bb478b5551 [0,2,0,0,0,0|2,0,0]=4 4544 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3s2)F 506c340930d0f471ea5587adfe1e9ccd [0,2,0,0,0,0|1,0,0]=3 4545 B21R3.3871600 CC1CCCCC1NCc2nc3cc(cnc3s2)Cl b7d4a295e50cd8599cec89eebf20f874 [0,2,0,0,0,0|2,0,0]=4 4546 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3[nH]2)F 18fa1951ae19e40aa952a025032e4910 [0,2,0,0,0,0|2,0,0]=4 4547 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)Cl ef218e6017c9504377c9d7af44cc4ff2 [0,2,0,0,0,0|1,1,0]=4 4548 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)F affdcd42dfc3767e36f995800c19227b [0,2,0,0,0,0|1,1,0]=4 4549 B21R3.3871600 CC1CCCCC1OCc2nc3cc(ccc3s2)F ab3e60249ab572162a4c6a24844d5ab9 [0,2,0,0,0,0|2,0,0]=4 4550 B21R3.3871600 CC1COCCC1NCc2nc3cc(ccc3s2)F 28519c55500ed61afd6dc71b3cec4d85 [0,2,0,0,0,0|2,0,0]=4 4551 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Cl 10af053be79cbc012d94f77aab46a0b1 [0,2,0,0,0,0|2,0,0]=4 4552 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Br 5aa1afe70a24eb480a041ca77568fd9c [0,2,0,0,0,0|2,0,0]=4 4553 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3o2)Cl 918d1cb05dd52b4548ccc90a84af8cdd [0,2,0,0,0,0|1,1,0]=4 4554 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3s2)F d883b28d781ee416add5542e6a214a91 [0,2,0,0,0,0|1,0,0]=3 4555 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3cc(cnc3s2)Cl c24f1398390bada0f532fd3788288dc7 [0,2,0,0,0,0|2,0,0]=4 4556 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)Cl 1d46205ea128175ea272a8114a48d2a3 [0,2,0,0,0,0|2,0,0]=4 4557 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F 5dcda7358ff467e117df3a48c3706afd [0,2,0,0,0,0|2,0,0]=4 4558 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)Cl b45a5a620eed0a38fbeeaa1ddc7824c2 [0,2,0,0,0,0|1,1,0]=4 4559 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)F 7b38b8cc87f6e47f380315c11daa9e90 [0,2,0,0,0,0|1,1,0]=4 4560 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3s2)Br 05345b019fa5c5351700877f625e8406 [0,2,0,0,0,0|1,0,0]=3 4561 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3s2)Cl a424f7b17369d4ae62639b94e70b3ea9 [0,2,0,0,0,0|1,0,0]=3 4562 B21R3.3871600 C[C@@H]1CCCC[C@@H]1OCc2nc3cc(ccc3s2)F 540f9f1d823a049b00f4e1e5bfb143e0 [0,2,0,0,0,0|2,0,0]=4 4563 B21R3.3871600 C[C@@H]1CCCC[C@@H]1OCc2nc3ccc(cc3s2)F a6280fe5e04957e268849b7ba54f378f [0,2,0,0,0,0|2,0,0]=4 4564 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl a3c2fd6b3a14897cfd958f71178980a6 [0,2,0,0,0,0|2,0,0]=4 4565 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Br 82dcafd8f5e1e1cb4c5ff2b596f0ac4a [0,2,0,0,0,0|2,0,0]=4 4566 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Cl 8ac002ab637f200466459cd3cbbca873 [0,2,0,0,0,0|2,0,0]=4 4567 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3s2)F cf0ec153b448085bbd4198335011cab4 [0,2,0,0,0,0|1,0,0]=3 4568 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3cc(cnc3s2)Cl 7812fe730bcb717b65a943fd33473fef [0,2,0,0,0,0|2,0,0]=4 4569 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)F 35e250f51a107f02aa71cadcd72cbd4c [0,2,0,0,0,0|2,0,0]=4 4570 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)Cl c966b680364ffc200c77e0c50fcf7336 [0,2,0,0,0,0|1,1,0]=4 4571 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)F 631403158dd5820e45116bf82560d315 [0,2,0,0,0,0|1,1,0]=4 4572 B21R3.3871600 C[C@@H]1COCC[C@@H]1NCc2nc3cc(ccc3s2)F 0c347265d998a225086d84068ac3022b [0,2,0,0,0,0|2,0,0]=4 4573 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Cl 5bb9dc681be7946605ca96fe91e8fb48 [0,2,0,0,0,0|2,0,0]=4 4574 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Br 63021aa9898ba59b99f0ade4d7d34ff7 [0,2,0,0,0,0|2,0,0]=4 4575 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Cl 69c196992e8c577e6480681195e5fa35 [0,2,0,0,0,0|2,0,0]=4 4576 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3s2)F b1a0ec3357459203bf267cf2f8a864f1 [0,2,0,0,0,0|1,0,0]=3 4577 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3cc(cnc3s2)Cl 43c5e98fff1235cc1e90a4ec0adc2865 [0,2,0,0,0,0|2,0,0]=4 4578 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F 64317f809c3286701848a5d0b4122cfe [0,2,0,0,0,0|2,0,0]=4 4579 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)Cl 6d28d78109f6ec2f11387f89bdb4ec4a [0,2,0,0,0,0|1,1,0]=4 4580 B21R3.3871600 C[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)F 17cf0406db80f0c479c8de13ff4518c2 [0,2,0,0,0,0|1,1,0]=4 4581 B21R3.3871600 C[C@H]1CCCC[C@@H]1OCc2nc3cc(ccc3s2)F 7872223bbb7f798330624fbf0a7cb725 [0,2,0,0,0,0|2,0,0]=4 4582 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl b2d160a37dd67d593153035deedd8fe1 [0,2,0,0,0,0|2,0,0]=4 4583 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Br 403816f72dde5032ee26c66653e0a726 [0,2,0,0,0,0|2,0,0]=4 4584 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Cl 174d5914dd984fe451476abf27267440 [0,2,0,0,0,0|2,0,0]=4 4585 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3cc(ccc3s2)F 27ca92ddd39499ce33156bbbe5503a7b [0,2,0,0,0,0|1,0,0]=3 4586 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3cc(cnc3s2)Cl 84c16326cef614550e646922ca2ab64c [0,2,0,0,0,0|2,0,0]=4 4587 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)F 1d164e5ea9cf6b5b64b5dd7622dbf7b3 [0,2,0,0,0,0|2,0,0]=4 4588 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)Cl 36ad631dea5baff1cb5cadb0e82e1411 [0,2,0,0,0,0|1,1,0]=4 4589 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)F 6bca67fa8992e3bc00dc6840507af258 [0,2,0,0,0,0|1,1,0]=4 4590 B21R3.3871600 C[C@H]1CCCC[C@H]1OCc2nc3cc(ccc3s2)F 175c57c0b90415cdc248333bdc34df67 [0,2,0,0,0,0|2,0,0]=4 4591 B21R3.3871600 C[C@H]1COCC[C@H]1NCc2nc3cc(ccc3s2)F 2fde2477cb37488a6995b30f7452ed4f [0,2,0,0,0,0|2,0,0]=4 4592 B21R3.3871600 Cc1ccc2[nH]c(nc2c1)CNC3CCCCC3F adcb70749a0b2fc659e288d9261a7bbe [0,2,0,0,0,0|2,0,0]=4 4593 B21R3.3871600 Cc1ccc2[nH]c(nc2c1)CNC3CCCCC3O d17085600889a08f15b1de827ec07ca6 [0,2,0,0,0,0|2,0,0]=4 4594 B21R3.3871600 Cc1ccc2[nH]c(nc2c1)CN[C@H]3CCCC[C@@H]3O 84aabb50c104b64786973b4175520814 [0,2,0,0,0,0|2,0,0]=4 4595 B21R3.3871600 Cc1ccc2[nH]c(nc2c1)CN[C@H]3CCCC[C@H]3C 0b3661013a1d84829e7ddf442b4ec527 [0,2,0,0,0,0|2,0,0]=4 4596 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CNC3CCCCC3C 2e03645b25c68d234d56860c7444955e [0,2,0,0,0,0|2,0,0]=4 4597 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@@H]3C 67062525cd6eb02c6f162d331ebeb5f5 [0,2,0,0,0,0|2,0,0]=4 4598 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3C eb00ffd3351c1ea4e49c10003bc436f6 [0,2,0,0,0,0|2,0,0]=4 4599 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3O 5ff71a55ac4f9e1f8396270ec521d6f8 [0,2,0,0,0,0|2,0,0]=4 4600 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@H]3CCCC[C@@H]3C da5cabc966ac693a1aabd0f5666d140e [0,2,0,0,0,0|2,0,0]=4 4601 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@H]3CCCC[C@H]3O 7a428a8b9eca73020a6afe6deb19c85e [0,2,0,0,0,0|2,0,0]=4 4602 B21R3.3871600 Cc1ccc2nc(oc2c1)CNC3CCCCC3C 75bf8f09afc4529fe43ccde6bb8919bd [0,2,0,0,0,0|1,1,0]=4 4603 B21R3.3871600 Cc1ccc2nc(oc2c1)CNC3CCCCC3O d6993d118cc4f441c3137a9a46e214f8 [0,2,0,0,0,0|1,1,0]=4 4604 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@@H]3C c289068e5989df0701ee92bfa31300a3 [0,2,0,0,0,0|1,1,0]=4 4605 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3C 536e7996a48288657febe78cfd1b32c2 [0,2,0,0,0,0|1,1,0]=4 4606 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3O 90bf0f6dba2057f4fc4c1e047f79a02b [0,2,0,0,0,0|1,1,0]=4 4607 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@H]3CCCC[C@@H]3C 404dcf4f1bd3f115be7d2ce813a2f456 [0,2,0,0,0,0|1,1,0]=4 4608 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@H]3CCCC[C@@H]3O 1f80fb724629b9b1643b846fbdd605c4 [0,2,0,0,0,0|1,1,0]=4 4609 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@H]3CCCC[C@H]3C da831fe9c8a089edc84141c9fdb6ea46 [0,2,0,0,0,0|1,1,0]=4 4610 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@H]3CCCC[C@H]3O 3b58679d68f14b1d27eca3c653d163f1 [0,2,0,0,0,0|1,1,0]=4 4611 B21R3.3871600 Cc1ccc2nc(sc2c1)NCC3CCCCC3C 6cea6e70a561cd9304cb837a3f3f677e [0,2,0,0,0,0|2,0,0]=4 4612 B21R3.3871600 Cc1ccc2nc(sc2c1)NCC3CCCCC3O 1b033b2dc6cee6cd4c60adc0d13a7973 [0,2,0,0,0,0|2,0,0]=4 4613 B21R3.3871600 Cc1ccc2oc(nc2c1)CNC3CCCCC3C 5fbbabddbb1805f55220447b60c86561 [0,2,0,0,0,0|1,1,0]=4 4614 B21R3.3871600 Cc1ccc2oc(nc2c1)CNC3CCCCC3O 348fb09716cb1daa924f8d5657ec71bc [0,2,0,0,0,0|1,1,0]=4 4615 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@@H]3C b3c0d6ddc831e0a9376b7c4ec3cb5366 [0,2,0,0,0,0|1,1,0]=4 4616 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3C c08808c550c46e0a3a68dfb54177e8d2 [0,2,0,0,0,0|1,1,0]=4 4617 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3O 196be79d74c7a9d55da469865a7ceb96 [0,2,0,0,0,0|1,1,0]=4 4618 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@H]3CCCC[C@@H]3C d160a3157c6591f69f6b6c3ec454b175 [0,2,0,0,0,0|1,1,0]=4 4619 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@H]3CCCC[C@@H]3O 3e8da995dbd4fee41f09e2d0e710723b [0,2,0,0,0,0|1,1,0]=4 4620 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@H]3CCCC[C@H]3C 4bdd1750f689f38325a6a9db4a1c3f4a [0,2,0,0,0,0|1,1,0]=4 4621 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@H]3CCCC[C@H]3O b558291449165dd7695a5fe4f8684bed [0,2,0,0,0,0|1,1,0]=4 4622 B21R3.3871600 Cc1ccc2sc(nc2c1)NCC3CCCCC3C 757b0ba9ab8374fdc32b537a73406dbb [0,2,0,0,0,0|2,0,0]=4 4623 B21R3.3871600 FC1CCCCC1NCc2nc3cc(ccc3o2)Cl a247c2d8ad44b62133ee5a15fa700a24 [0,2,0,0,0,0|1,1,0]=4 4624 B21R3.3871600 FC1CCCCC1NCc2nc3ccc(cc3[nH]2)Cl d4da887b16387d174007139d802b7bd9 [0,2,0,0,0,0|2,0,0]=4 4625 B21R3.3871600 FC1CCCCC1NCc2nc3ccc(cc3o2)Cl 226cb22b3360b92ec234b48260a812f5 [0,2,0,0,0,0|1,1,0]=4 4626 B21R3.3871600 FC1CCCCC1NCc2nc3ccc(cc3s2)Br e9dfc1406d3642fdedd843c62a14c92d [0,2,0,0,0,0|1,0,0]=3 4627 B21R3.3871600 FC1CCCCC1NCc2nc3ccc(cc3s2)Cl db5ff919ff529024decab2ed8c3bee3d [0,2,0,0,0,0|1,0,0]=3 4628 B21R3.3871600 Fc1ccc2nc(sc2c1)COC3CCCCC3F 723ebbc896b52ce0c39b4549af2534f2 [0,2,0,0,0,0|2,0,0]=4 4629 B21R3.3871600 Fc1ccc2sc(nc2c1)CN[C@@H]3CCOC[C@H]3F 8ac78624b89e15de6fcb3af3e5880878 [0,2,0,0,0,0|2,0,0]=4 4630 B21R3.3871600 Fc1ccc2sc(nc2c1)CN[C@H]3CCOC[C@@H]3F 2ba784888dc2e08d5262034c2f8c763f [0,2,0,0,0,0|2,0,0]=4 4631 B21R3.3871600 Fc1ccc2sc(nc2c1)COC3CCCCC3F a30b7b5b2aa17c6a3aabc3f968664a38 [0,2,0,0,0,0|2,0,0]=4 4632 B21R3.3871600 Fc1ccc2sc(nc2c1)CO[C@@H]3CCCC[C@H]3F 337e1cd1aacad5df488de43f83cd2163 [0,2,0,0,0,0|2,0,0]=4 4633 B21R3.3871600 O=C1CCCCC1NCc2nc3ccc(cc3s2)Br 29cb7325c31352ffe5219a245fd8b7c3 [0,2,0,0,0,0|1,0,1]=4 4634 B21R3.3871600 O=C1CCCCC1NCc2nc3ccc(cc3s2)Cl a03599fa761e7c1e8ed807e6cf8ddfda [0,2,0,0,0,0|1,0,1]=4 4635 B21R3.3871600 OC1CCCCC1CNc2nc3ccc(cc3s2)F 56c27c49ea6c244af0a583174c47435e [0,2,0,0,0,0|2,0,0]=4 4636 B21R3.3871600 OC1CCCCC1NCc2cc3cc(ccc3s2)Cl 7c15812eaf9cc665786b24c08007b0ef [0,2,0,0,0,0|2,0,0]=4 4637 B21R3.3871600 OC1CCCCC1NCc2nc3cc(ccc3[nH]2)Br 977313a42cb76c91d43f464f78fa2c5d [0,2,0,0,0,0|2,0,0]=4 4638 B21R3.3871600 OC1CCCCC1NCc2nc3cc(ccc3o2)Cl e3a877e99e0aad02c1ad516e0db19902 [0,2,0,0,0,0|1,1,0]=4 4639 B21R3.3871600 OC1CCCCC1NCc2nc3cc(ccc3o2)F 0102f61c45b6741d1394be208b7001b1 [0,2,0,0,0,0|1,1,0]=4 4640 B21R3.3871600 OC1CCCCC1NCc2nc3cc(ccc3s2)F 2300f55c63bc1702b33a155c5bce5892 [0,2,0,0,0,0|1,0,0]=3 4641 B21R3.3871600 OC1CCCCC1NCc2nc3cc(cnc3s2)Cl b3c88baa77d497dc9723c38de92fdef6 [0,2,0,0,0,0|2,0,0]=4 4642 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3[nH]2)Cl 01c0e501d911a2b61ad2893d95af613a [0,2,0,0,0,0|2,0,0]=4 4643 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3[nH]2)F 9397d5c7dcc83c26977f9dc4895ed7a6 [0,2,0,0,0,0|2,0,0]=4 4644 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3o2)Cl f25da45824e3f97820f8da5ecd903422 [0,2,0,0,0,0|1,1,0]=4 4645 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3o2)F 13f72bda6758bb244a841f913d7adfa0 [0,2,0,0,0,0|1,1,0]=4 4646 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3s2)Br 7f3fed145bd8d46071b5fcd204e02f91 [0,2,0,0,0,0|1,0,0]=3 4647 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3s2)Cl 266ea3fc395b790e6dcf8bdd80fa9f40 [0,2,0,0,0,0|1,0,0]=3 4648 B21R3.3871600 OC1COCCC1NCc2nc3cc(ccc3s2)F 45f3a24235e75dd724c4bac1421f3081 [0,2,0,0,0,0|2,0,0]=4 4649 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Cl 7105135beeb2e9dcda736a17351c4082 [0,2,0,0,0,0|2,0,0]=4 4650 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Br 347900d41d606757f9d928f54a440c38 [0,2,0,0,0,0|2,0,0]=4 4651 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Cl a436c63b12178f2b0ef24f7e244755d3 [0,2,0,0,0,0|2,0,0]=4 4652 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3o2)F 4a41d8ffb1de4b645b73cb4dd05fc0e4 [0,2,0,0,0,0|1,1,0]=4 4653 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3cc(ccc3s2)F 8bff3c39c5d2e7e30c290fb7f970575e [0,2,0,0,0,0|1,0,0]=3 4654 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3cc(cnc3s2)Cl 16c3d529e5ec03a7a002780f3a8fec70 [0,2,0,0,0,0|2,0,0]=4 4655 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F 89100b815b4b48f4bc2cf7aa30592c35 [0,2,0,0,0,0|2,0,0]=4 4656 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)Cl 189aad55dc87cb5c14994ce9fa01221f [0,2,0,0,0,0|1,1,0]=4 4657 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)F 4e19e8ff4cc418c7bb60217d39a606e1 [0,2,0,0,0,0|1,1,0]=4 4658 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl 7cd577e66e1317ebf0f6f5c07053d5ed [0,2,0,0,0,0|2,0,0]=4 4659 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Br d4d34e5586a53668e5ebbbfa1eaa55bb [0,2,0,0,0,0|2,0,0]=4 4660 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Cl d24ee02cec53d72182c4a688c4d4f79c [0,2,0,0,0,0|2,0,0]=4 4661 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3o2)F 205f37c5a956f051eab8437035dcc411 [0,2,0,0,0,0|1,1,0]=4 4662 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3s2)F fdb2542c6d1a27f136616b3f59a1d9dd [0,2,0,0,0,0|1,0,0]=3 4663 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3cc(cnc3s2)Cl 3f904dc2920957a586e193b9c8e14e35 [0,2,0,0,0,0|2,0,0]=4 4664 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)F 955812c90f33e5448269f9914779e468 [0,2,0,0,0,0|2,0,0]=4 4665 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)Cl 34b278ce2010ef80c499010540104aee [0,2,0,0,0,0|1,1,0]=4 4666 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)F 9a94d8ce98330499f23b2cd7d99e670b [0,2,0,0,0,0|1,1,0]=4 4667 B21R3.3871600 O[C@@H]1CCOC[C@@H]1NCc2nc3cc(ccc3s2)F ac76563956565bab8f4f7b940568dbb5 [0,2,0,0,0,0|2,0,0]=4 4668 B21R3.3871600 O[C@@H]1CCOC[C@H]1NCc2nc3cc(ccc3s2)F 8a8558f87f8003e33e0ef4ebc2dbe2d3 [0,2,0,0,0,0|2,0,0]=4 4669 B21R3.3871600 O[C@@H]1COCC[C@@H]1NCc2nc3cc(ccc3s2)F 0664a4e54a0b64c09781db9ca8ffe414 [0,2,0,0,0,0|2,0,0]=4 4670 B21R3.3871600 O[C@@H]1COCC[C@H]1NCc2nc3cc(ccc3s2)F 27c2b66a442e92dc3258936dfaaecb82 [0,2,0,0,0,0|2,0,0]=4 4671 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Cl 1d8cb7261beb2aa256eb236552dc012f [0,2,0,0,0,0|2,0,0]=4 4672 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3[nH]2)Br 79f91cfd3618e5cc2f910f65f40dd6f4 [0,2,0,0,0,0|2,0,0]=4 4673 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3o2)Cl bea9faec905e9566e336e3c23d61eca5 [0,2,0,0,0,0|1,1,0]=4 4674 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3o2)F 1f2317cf97a9c381ba30165ed5a233db [0,2,0,0,0,0|1,1,0]=4 4675 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3cc(ccc3s2)F 8f67f9e3aefbb4aa9b8d55a7ce15dfea [0,2,0,0,0,0|1,0,0]=3 4676 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3cc(cnc3s2)Cl e3dd37bb744201107c9bd03b8a2ac914 [0,2,0,0,0,0|2,0,0]=4 4677 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)Cl e0f15e409b39f1306ba2ab13ec8b6976 [0,2,0,0,0,0|2,0,0]=4 4678 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F cad16c660f27687145f28c9efbe0238e [0,2,0,0,0,0|2,0,0]=4 4679 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)Cl 64c10b2f11a79c36f9d86d105724c89f [0,2,0,0,0,0|1,1,0]=4 4680 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3o2)F b0fa75bdf0884cc473a8ea29f4870d6c [0,2,0,0,0,0|1,1,0]=4 4681 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3s2)Br 68fd34addfaa398aa98327f168a3b4b8 [0,2,0,0,0,0|1,0,0]=3 4682 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3s2)Cl 9826d0f95a7afc63cf16101d37818302 [0,2,0,0,0,0|1,0,0]=3 4683 B21R3.3871600 O[C@H]1CCOC[C@@H]1NCc2nc3cc(ccc3s2)F aa41273ee6f8e3821598b946d079cb51 [0,2,0,0,0,0|2,0,0]=4 4684 B21R3.3871600 O[C@H]1CCOC[C@H]1NCc2nc3cc(ccc3s2)F 48828d3d406cac628366aa29d7e7dc56 [0,2,0,0,0,0|2,0,0]=4 4685 B21R3.3871600 O[C@H]1COCC[C@@H]1NCc2nc3cc(ccc3s2)F 4e0444f4a0b1647e8408be5309939807 [0,2,0,0,0,0|2,0,0]=4 4686 B21R3.3871600 O[C@H]1COCC[C@H]1NCc2nc3cc(ccc3s2)F d3da15e316dcac086516ca672e7a24d3 [0,2,0,0,0,0|2,0,0]=4 4687 B21R3.116761650 CC1(CCCCC1)CNc2nc3cc(ccc3s2)Br 6526f780b3b1fc5ee82f536c7239f0c0 [0,2,0,0,0,0|2,0,0]=4 4688 B21R3.116761650 CC1(CCCCC1)CNc2nc3cc(ccc3s2)Cl df5b1187f99a569dd9837fb38308cb56 [0,2,0,0,0,0|2,0,0]=4 4689 B21R3.116761650 CC1(CCCCC1)CNc2nc3cc(ccc3s2)F a28e2e1ac3ebf44c8d0027d51897b165 [0,2,0,0,0,0|2,0,0]=4 4690 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)Br 1c0eef10bfde94d2d7e5269697e3c41f [0,2,0,0,0,0|2,0,0]=4 4691 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)Cl db8f600dfd315229bf2924f04a33a15d [0,2,0,0,0,0|2,0,0]=4 4692 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)F 96874c8505fbd1dc7460c9d149b7ffaf [0,2,0,0,0,0|2,0,0]=4 4693 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)I fcd44af3aecdeec3ad6fc413489744fc [0,2,0,0,0,0|2,0,0]=4 4694 B21R3.116761650 CC1(CCCCC1)COc2nc3ccc(cc3s2)Cl 6ce956a6498cf20cf9ba5181ef97eccb [0,2,0,0,0,0|1,1,0]=4 4695 B21R3.116761650 CC1(CCCCC1)COc2nc3ccc(cc3s2)F 0a1bb17740a8ea45d949ad544b824d85 [0,2,0,0,0,0|1,1,0]=4 4696 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Br cdc5fa91f26a6440547a6de5382770a7 [0,2,0,0,0,0|2,0,0]=4 4697 B21R3.116761650 CC1(CCCCC1)NCc2cc3cc(ccc3s2)Cl af04d11ac51277902fdd11cf2b077e3f [0,2,0,0,0,0|2,0,0]=4 4698 B21R3.116761650 CC1(CCCCC1)NCc2cc3ccc(cc3s2)Br 5d0af1259545080a2a4a12fd6a9abbe0 [0,2,0,0,0,0|2,0,0]=4 4699 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)Br 54414b0e0dafeb4dca3c252564f1f54e [0,2,0,0,0,0|2,0,0]=4 4700 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)Cl 72e07636c447833ee28b4c2f445ad4f4 [0,2,0,0,0,0|2,0,0]=4 4701 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)Cl 5129672776012dfdec2986bf9f9ea296 [0,2,0,0,0,0|1,1,0]=4 4702 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)F 7aaa76898666820dbfd54f495cf880aa [0,2,0,0,0,0|1,1,0]=4 4703 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3s2)F c3f5107ddbb82a422c50c9c7553dcb6a [0,2,0,0,0,0|1,0,0]=3 4704 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(cnc3s2)Cl 5358b45eb20c44a501f27fd6665d7c38 [0,2,0,0,0,0|2,0,0]=4 4705 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3[nH]2)F 9427159de7c63623fd912c5f3f1cf033 [0,2,0,0,0,0|2,0,0]=4 4706 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)Br 8c11c39d41fc41c9d2c41e3bec18b235 [0,2,0,0,0,0|1,1,0]=4 4707 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)Cl 94d037e21bb7d1785b32d5f4f1f850c2 [0,2,0,0,0,0|1,1,0]=4 4708 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)F 9819f2a3e66c9bd60964c97f5d4cf950 [0,2,0,0,0,0|1,1,0]=4 4709 B21R3.116761650 CC1(CCOCC1)NCc2nc3cc(ccc3s2)F bfd62c013be80d2b4e9c63e3ed8a2e03 [0,2,0,0,0,0|2,0,0]=4 4710 B21R3.116761650 Cc1ccc2nc([nH]c2c1)CNC3(CCCCC3)C 5c38cfa4cff2060d42f3deabf0331b71 [0,2,0,0,0,0|2,0,0]=4 4711 B21R3.116761650 Cc1ccc2nc(oc2c1)CNC3(CCCCC3)C a3652fd4ba1ecf4fb7ed8febacd1fa65 [0,2,0,0,0,0|1,1,0]=4 4712 B21R3.116761650 Cc1ccc2nc(sc2c1)NCC3(CCCCC3)C 53e1f09f22330caa1152367ec823e816 [0,2,0,0,0,0|2,0,0]=4 4713 B21R3.116761650 Cc1ccc2nc(sc2c1)OCC3(CCCCC3)C c67f135eed23c19ae4ee00de32442c19 [0,2,0,0,0,0|1,1,0]=4 4714 B21R3.116761650 Cc1ccc2oc(nc2c1)CNC3(CCCCC3)C 2caa817b77d30bd4ce68e95493660e35 [0,2,0,0,0,0|1,1,0]=4 4715 B21R3.116761650 Cc1ccc2sc(nc2c1)NCC3(CCCCC3)C 644abb4fda640dba9a586c25785c05f2 [0,2,0,0,0,0|2,0,0]=4 4716 B21R3.21603 CC1CCCC(C1OCc2nc3ccccc3s2)C a728069c37e5df55a198f9e3fe82251a [0,2,0,0,0,0|2,0,0]=4 4717 B21R3.21603 O[C@@H]1CCC[C@@H]([C@H]1NCc2nc3ccccc3[nH]2)O 67ee38e64740937b399fc3ef9cd34e7b [0,2,0,0,0,0|2,0,0]=4 4718 B21R3.21603 O[C@@H]1CCC[C@@H]([C@H]1NCc2nc3ccccc3o2)O d9f605d97c63bef320c18308d6a62a4b [0,2,0,0,0,0|1,1,0]=4 4719 B21R3.21603 O[C@@H]1CCC[C@@H]([C@H]1NCc2nc3ccccc3s2)O 4ecfc1b58766248cf3eaad4cc1bc2251 [0,2,0,0,0,0|1,0,0]=3 4720 B21R3.75855 C#CC1CCCCC1OCc2nc3ccccc3s2 9e5141c6aff1159411c389f5832a5b3c [0,2,0,0,0,0|2,0,0]=4 4721 B21R3.75855 C#CC1CCCCN1CSc2nc3ccccc3s2 efe99359d588e820d3d3a4c10f2f990a [0,2,0,0,0,0|2,0,0]=4 4722 B21R3.75855 C#C[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 78c1b09dc1e466c8e8520ff7a0e6c42d [0,2,0,0,0,0|2,0,0]=4 4723 B21R3.75855 C#C[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 5072555fd3efabd618a126e7756c4f44 [0,2,0,0,0,0|2,0,0]=4 4724 B21R3.75855 CCC1CCCCC1OCc2nc3ccccc3s2 1ab62ca77b3b66e3c809b4545d853b34 [0,2,0,0,0,0|2,0,0]=4 4725 B21R3.75855 CCC1CCCCN1CSc2nc3ccccc3s2 a8dbc4e1130e720d2e9b069cf0b1aee4 [0,2,0,0,0,0|2,0,0]=4 4726 B21R3.75855 CCC1COCCC1NCc2nc3ccccc3s2 5806b845bc0bbbdcfc9f2d9a1934d396 [0,2,0,0,0,0|2,0,0]=4 4727 B21R3.75855 CC[C@@H]1CCCCN1CSc2nc3ccccc3s2 b2dd92a10ee44999d8088c7fd96cb8d0 [0,2,0,0,0,0|2,0,0]=4 4728 B21R3.75855 CC[C@H]1CCCCN1CSc2nc3ccccc3s2 5d97c4c086075112fd8ba49212c88c5c [0,2,0,0,0,0|2,0,0]=4 4729 B21R3.75855 COC1CCCCC1NCc2cc3ccccc3s2 130cea3a05046c7fcbb02dd58a3d8af9 [0,2,0,0,0,0|2,0,0]=4 4730 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3[nH]2 01a2ccda53993c674fe5d25aafa7aebe [0,2,0,0,0,0|2,0,0]=4 4731 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3o2 ccce88a52a5c944a477070f4b8ec69c2 [0,2,0,0,0,0|1,1,0]=4 4732 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3s2 3f0118d23d568c5556bd4e796945a1c0 [0,2,0,0,0,0|1,0,0]=3 4733 B21R3.75855 COC1CCCCC1OCc2nc3ccccc3s2 6b00dff66e8febcaf9aaa0fc5a3cdf4e [0,2,0,0,0,0|2,0,0]=4 4734 B21R3.75855 CO[C@@H]1COCC[C@@H]1NCc2nc3ccccc3s2 268e5ed697510fd321c797e9eabb7e10 [0,2,0,0,0,0|2,0,0]=4 4735 B21R3.75855 CO[C@@H]1COCC[C@H]1NCc2nc3ccccc3s2 1222875efefa31e659b82f90ae1962e8 [0,2,0,0,0,0|2,0,0]=4 4736 B21R3.75855 CO[C@H]1CCCC[C@@H]1NCc2cc3ccccc3s2 057475a7cbfb257901cf5972850f4e05 [0,2,0,0,0,0|2,0,0]=4 4737 B21R3.75855 CO[C@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 8c355ff6919d422ef3be714263fc1f11 [0,2,0,0,0,0|2,0,0]=4 4738 B21R3.75855 CO[C@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 1a4d7ad1ab0b8e71f4f253ba4c635696 [0,2,0,0,0,0|1,1,0]=4 4739 B21R3.75855 CO[C@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 d2b32cce334eb56cf4eef4eb4debdb4f [0,2,0,0,0,0|1,0,0]=3 4740 B21R3.75855 CO[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 9fa2ef079ad590e2df7e94f80ac43a5b [0,2,0,0,0,0|2,0,0]=4 4741 B21R3.75855 CO[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 6e3b21ff7970e87e086443ab6a7f04ae [0,2,0,0,0,0|2,0,0]=4 4742 B21R3.75855 CS[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 984b65cead327c826f818013d0b200c1 [0,2,0,0,0,0|2,0,0]=4 4743 B21R3.75855 N#CC1CCCCC1NCc2nc3ccccc3[nH]2 4369c7e651d2cc9effe4a3998c357f12 [0,2,0,0,0,0|2,0,0]=4 4744 B21R3.75855 N#CC1CCCCC1NCc2nc3ccccc3o2 6d2d058d76cde606f2eba8adb4cbc8ff [0,2,0,0,0,0|1,1,0]=4 4745 B21R3.75855 N#CC1CCCCC1NCc2nc3ccccc3s2 ae603d93026dca18b89fdeb2f8f972dd [0,2,0,0,0,0|1,0,0]=3 4746 B21R3.75855 N#CC1CCCCN1CSc2nc3ccccc3s2 d9e35fca7d0271ddee935e52b4b3e5a1 [0,2,0,0,0,0|2,0,0]=4 4747 B21R3.75855 N#C[C@@H]1CCCCN1CSc2nc3ccccc3s2 c41b318a0f96f38f384072eba27ab117 [0,2,0,0,0,0|2,0,0]=4 4748 B21R3.75855 N#C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 0bdfbd40e0f60940dd80d588bfa0ae95 [0,2,0,0,0,0|2,0,0]=4 4749 B21R3.75855 N#C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 adbca76e67b74c399029cabbf4ff551c [0,2,0,0,0,0|1,1,0]=4 4750 B21R3.75855 N#C[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 7c5e10e7873f9c89b39cad4670713082 [0,2,0,0,0,0|1,0,0]=3 4751 B21R3.75855 N#C[C@H]1CCCCN1CSc2nc3ccccc3s2 53016ef0de909763ab71a7fe8af5df7c [0,2,0,0,0,0|2,0,0]=4 4752 B21R3.75855 O=CC1CCCCN1CSc2nc3ccccc3s2 1defb63690c6d693459f844f6ef83765 [0,2,0,0,0,0|2,0,0]=4 4753 B21R3.75855 OCC1COCCC1NCc2nc3ccccc3s2 a75a8e49841488919cafaabbc66d1d67 [0,2,0,0,0,0|2,0,0]=4 4754 B21R3.75855 OC[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3[nH]2 2d8bfb567764b492c87f182f279ca4d1 [0,2,0,0,0,0|2,0,0]=4 4755 B21R3.75855 OC[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3o2 ae1845f76fd665916377ad1b32f2406e [0,2,0,0,0,0|1,1,0]=4 4756 B21R3.75855 OC[C@@H]1CCCC[C@@H]1NCc2nc3ccccc3s2 931e2601215ad91fefbbcd4dc5c62057 [0,2,0,0,0,0|1,0,0]=3 4757 B21R3.75855 OC[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 3d1fb1920309b73492411c80539c3533 [0,2,0,0,0,0|2,0,0]=4 4758 B21R3.75855 OC[C@@H]1CCCC[C@H]1NCc2nc3ccccc3o2 ef5892828c8247d1119efc062b942b60 [0,2,0,0,0,0|1,1,0]=4 4759 B21R3.75855 OC[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 d6c8180355f700ec58a69f593ad6e604 [0,2,0,0,0,0|1,0,0]=3 4760 B21R3.75855 OC[C@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 5de8d5ebad0d6d5e19069d0441dd5b7a [0,2,0,0,0,0|2,0,0]=4 4761 B21R3.75855 OC[C@H]1CCCC[C@H]1NCc2nc3ccccc3o2 97f94ebdc79b0429a4b84c0f41e4af38 [0,2,0,0,0,0|1,1,0]=4 4762 B21R3.75855 OC[C@H]1CCCC[C@H]1NCc2nc3ccccc3s2 b3582912871039018e63f69d080d19b3 [0,2,0,0,0,0|1,0,0]=3 4763 B21R3.75855 OC[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 fdc08968d5489e936624cecadc760279 [0,2,0,0,0,0|2,0,0]=4 4764 B21R3.218709 CC1CCCCC1NCc2cc3c(cccc3s2)Cl aedc9f4ac8b6f3ec95409cbd05c230a8 [0,2,0,0,0,0|2,0,0]=4 4765 B21R3.218709 CC1CCCCC1NCc2nc3c(cccc3o2)Cl 44db32f9fc1229121ab927e71f6be4c5 [0,2,0,0,0,0|1,1,0]=4 4766 B21R3.218709 C[C@@H]1CCCC[C@@H]1NCc2cc3c(cccc3s2)Cl ec176222a35c9495fcf6aa078c1d2544 [0,2,0,0,0,0|2,0,0]=4 4767 B21R3.218709 C[C@@H]1CCCC[C@@H]1NCc2nc3c(cccc3o2)Cl 3dcc7f52bef711c066e96100e9ec2416 [0,2,0,0,0,0|1,1,0]=4 4768 B21R3.218709 C[C@@H]1CCCC[C@@H]1NCc2nc3cccc(c3[nH]2)F 954f1ff9d2ab88511a7e4807016238c0 [0,2,0,0,0,0|2,0,0]=4 4769 B21R3.218709 C[C@@H]1CCCC[C@@H]1OCc2nc3c(cccc3s2)Br ceba81f443022dc8c67aa32349b1978f [0,2,0,0,0,0|2,0,0]=4 4770 B21R3.218709 C[C@@H]1CCCC[C@@H]1OCc2nc3c(cccc3s2)F ed84112b5479fe622bb00ab89d7aabd5 [0,2,0,0,0,0|2,0,0]=4 4771 B21R3.218709 C[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl a90119edc8bfbe407c79916f84f88548 [0,2,0,0,0,0|2,0,0]=4 4772 B21R3.218709 C[C@@H]1CCCC[C@H]1NCc2nc3c(cccc3o2)Cl fe9be07992c2d710c03b31d73014fc7a [0,2,0,0,0,0|1,1,0]=4 4773 B21R3.218709 C[C@H]1CCCC[C@@H]1NCc2cc3c(cccc3s2)Cl a22f89bb4a04b72b48d1698b95a9f5cd [0,2,0,0,0,0|2,0,0]=4 4774 B21R3.218709 C[C@H]1CCCC[C@@H]1NCc2nc3c(cccc3o2)Cl 1abd75bdedd3de86176e9e8e7ab6c6ca [0,2,0,0,0,0|1,1,0]=4 4775 B21R3.218709 C[C@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl e70fd3f39ea88ad92a3a422559faa70a [0,2,0,0,0,0|2,0,0]=4 4776 B21R3.218709 C[C@H]1CCCC[C@H]1NCc2nc3c(cccc3o2)Cl 0a94707cb9eaad0aaf68ed4516052d24 [0,2,0,0,0,0|1,1,0]=4 4777 B21R3.218709 Cc1cccc2c1nc([nH]2)CNC3CCCCC3F 224d5bc4fdf0fad4af422c26fee65876 [0,2,0,0,0,0|2,0,0]=4 4778 B21R3.218709 Cc1cccc2c1nc([nH]2)CNC3CCCCC3O a5a01047837bc5a3027b3ab91bfdfe96 [0,2,0,0,0,0|2,0,0]=4 4779 B21R3.218709 Cc1cccc2c1nc([nH]2)CN[C@H]3CCCC[C@@H]3O 1447d5649f7bd6b83e395b149b295042 [0,2,0,0,0,0|2,0,0]=4 4780 B21R3.218709 Cc1cccc2c1nc([nH]2)CN[C@H]3CCCC[C@H]3C 1be9fcf3b096eb4c8ddcac94e2e6c906 [0,2,0,0,0,0|2,0,0]=4 4781 B21R3.218709 Cc1cccc2c1nc(s2)NCC3CCCCC3C a5e30ceec59e7e52360414cff61d7291 [0,2,0,0,0,0|2,0,0]=4 4782 B21R3.218709 Cc1cccc2c1nc(s2)NCC3CCCCC3O 61ba712c0db36ec590440bc94e6707ca [0,2,0,0,0,0|2,0,0]=4 4783 B21R3.218709 Fc1cccc2c1[nH]c(n2)CNC3CCCCC3F 1fc405ca275699555c5bc2024399c0bf [0,2,0,0,0,0|2,0,0]=4 4784 B21R3.218709 Fc1cccc2c1nc(s2)COC3CCCCC3F 2bd2a1b8d7961fd1551972de3b510399 [0,2,0,0,0,0|2,0,0]=4 4785 B21R3.218709 OC1CCCCC1NCc2cc3c(cccc3s2)Cl f5da3f7bf0da8aebf1cc7d445e253178 [0,2,0,0,0,0|2,0,0]=4 4786 B21R3.218709 OC1CCCCC1NCc2nc3c(cccc3o2)Cl b6198d056cf0bec5cc2085789382e804 [0,2,0,0,0,0|1,1,0]=4 4787 B21R3.218709 OC1CCCCC1NCc2nc3cccc(c3[nH]2)F 7746f42687b7ce6cbd0d4522a56e3d03 [0,2,0,0,0,0|2,0,0]=4 4788 B21R3.218709 O[C@@H]1CCCC[C@@H]1NCc2cc3c(cccc3s2)Cl 7630656d0becbe1a56c9a05ab05a04c1 [0,2,0,0,0,0|2,0,0]=4 4789 B21R3.218709 O[C@@H]1CCCC[C@@H]1NCc2nc3c(cccc3o2)Cl 62f191c71ff7ad364074c0a198da439f [0,2,0,0,0,0|1,1,0]=4 4790 B21R3.218709 O[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl 40371b0c01e233284010a3129dc76ae7 [0,2,0,0,0,0|2,0,0]=4 4791 B21R3.218709 O[C@@H]1CCCC[C@H]1NCc2nc3c(cccc3o2)Cl 07c2c5251c708cf455e7aa9a83dc1956 [0,2,0,0,0,0|1,1,0]=4 4792 B21R3.218709 O[C@H]1CCCC[C@@H]1NCc2cc3c(cccc3s2)Cl 457b3eb2a0e51e875534022be3714be5 [0,2,0,0,0,0|2,0,0]=4 4793 B21R3.218709 O[C@H]1CCCC[C@@H]1NCc2nc3c(cccc3o2)Cl 0f5b9988245e3935014383e265e09de3 [0,2,0,0,0,0|1,1,0]=4 4794 B21R3.218709 O[C@H]1CCCC[C@@H]1NCc2nc3cccc(c3[nH]2)F 68f81a5c1c3abee45aaadeb391a3bfde [0,2,0,0,0,0|2,0,0]=4 4795 B21R3.223271 CC1(CCCCC1NCc2cc3ccccc3s2)C 8b0ca332a14e655d872a9c89ddb7ae63 [0,2,0,0,0,0|2,0,0]=4 4796 B21R3.223271 CC1(CCCCC1NCc2cc3ccccc3s2)O a0e225d3b05e00f7269aebb3b6400976 [0,2,0,0,0,0|2,0,0]=4 4797 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3[nH]2)C 0c3d17df3bdbb4afb9725abd007a64cf [0,2,0,0,0,0|2,0,0]=4 4798 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3[nH]2)O 81a688e37909f9b9fcd4d8c39a430ce6 [0,2,0,0,0,0|2,0,0]=4 4799 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3o2)C 34d974c4ddd50ecb9c351ddbf133e176 [0,2,0,0,0,0|1,1,0]=4 4800 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3o2)O 2db213f4a0e53e15be3aa0cd9f53f100 [0,2,0,0,0,0|1,1,0]=4 4801 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3s2)C 99bc667d044f3fa88d47802280fe6593 [0,2,0,0,0,0|1,0,0]=3 4802 B21R3.223271 CC1(CCCCC1NCc2nc3ccccc3s2)O 472db2251a5b289515252ab8508e5444 [0,2,0,0,0,0|1,0,0]=3 4803 B21R3.223271 CC1(CCCCC1OCc2nc3ccccc3s2)C eeafd1e05da7db35ce0f3fc9c4816bdf [0,2,0,0,0,0|2,0,0]=4 4804 B21R3.223271 CC1(CCCCN1CSc2nc3ccccc3s2)C a6651b6f67e79793c353fdf4bdb1cbcd [0,2,0,0,0,0|2,0,0]=4 4805 B21R3.223271 CC1(COCCC1NCc2nc3ccccc3s2)C fdd7b5a954a306497c043791a2fcdff3 [0,2,0,0,0,0|2,0,0]=4 4806 B21R3.223271 FC1(CCCCC1NCc2cc3ccccc3s2)F 5285187b8e49eae856226ee261518112 [0,2,0,0,0,0|2,0,0]=4 4807 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3[nH]2)F 2a181adb490f9f6245b68b102daeb5a0 [0,2,0,0,0,0|2,0,0]=4 4808 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3o2)F 0e4424531c155ea71dd9ccda8a0f826f [0,2,0,0,0,0|1,1,0]=4 4809 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3s2)F 4f10d50639210b27e4bf93e708ce9085 [0,2,0,0,0,0|1,0,0]=3 4810 B21R3.223271 FC1(CCCCC1OCc2nc3ccccc3s2)F 9e40d31079f6428a3082ce141b232166 [0,2,0,0,0,0|2,0,0]=4 4811 B21R3.223271 FC1(CCOCC1NCc2nc3ccccc3s2)F fb7cc935bf864ee21507c72d50f8bbf9 [0,2,0,0,0,0|2,0,0]=4 4812 B21R3.3957577 CC(NC1CCCCC1=O)c2nc3ccccc3s2 9007e4304b5e699f554cdec660ccb412 [0,2,0,0,0,0|1,0,1]=4 4813 B21R3.3957577 CC(NC1CCCCC1F)c2nc3ccccc3s2 cba7c1ea20c63c419dd8ff8b2edeafd4 [0,2,0,0,0,0|1,0,0]=3 4814 B21R3.3957577 CC(NC1CCCCC1O)c2nc3ccccc3s2 149532ffe28752a36b398cae2c372ef8 [0,2,0,0,0,0|1,0,0]=3 4815 B21R3.3957577 CC(N[C@H]1CCCC[C@@H]1O)c2nc3ccccc3s2 5992e308560342b2adb606aa68b37923 [0,2,0,0,0,0|1,0,0]=3 4816 B21R3.3957577 CC(N[C@H]1CCCC[C@H]1C)c2nc3ccccc3s2 97d1e0c8510133e855160d9bbf6cf3bf [0,2,0,0,0,0|1,0,0]=3 4817 B21R3.3957577 CC(OC1CCCCC1F)c2nc3ccccc3s2 20fb4741e277539b37ad594e09b7a54f [0,2,0,0,0,0|2,0,0]=4 4818 B21R3.3957577 CC(O[C@H]1CCCC[C@H]1C)c2nc3ccccc3s2 c60db15b443c9f86031d1e807b254612 [0,2,0,0,0,0|2,0,0]=4 4819 B21R3.3957577 CC1CCCCC1NC(=O)c2cc3ccccc3s2 0bb212cb159ab12332c802f21293862f [0,2,0,0,0,0|2,0,0]=4 4820 B21R3.3957577 CC1CCCCC1NC(=O)c2nc3ccccc3o2 51dd78e979dce9dcbb3662f1b4157acc [0,2,0,0,0,0|1,1,0]=4 4821 B21R3.3957577 CC1CCCCC1NC(=O)c2nc3ccccc3s2 291d12603b6d3dcbe5d64239bf7ee14e [0,2,0,0,0,0|1,0,0]=3 4822 B21R3.3957577 CC1CCCCC1NC(=O)c2nc3cccnc3s2 638a02130cb9d8faab3d54d06678e0ad [0,2,0,0,0,0|2,0,0]=4 4823 B21R3.3957577 CC1CCCCC1NC(=O)c2nc3ccncc3s2 feeac9d1b05a154a04efe3258ef439f1 [0,2,0,0,0,0|2,0,0]=4 4824 B21R3.3957577 CC1CCCCC1NC(=O)c2nc3cnccc3s2 a12541cc64f0e242f1c6673eb8a1836b [0,2,0,0,0,0|2,0,0]=4 4825 B21R3.3957577 CC1COCCC1NC(=O)c2nc3ccccc3s2 c3856859d43c85b8e7eeb8909a403bab [0,2,0,0,0,0|2,0,0]=4 4826 B21R3.3957577 C[C@@H](NC1CCCCC1F)c2nc3ccccc3[nH]2 ae413584c202e941615fdc687433eada [0,2,0,0,0,0|2,0,0]=4 4827 B21R3.3957577 C[C@@H](NC1CCCCC1O)c2nc3ccccc3[nH]2 62dc58430828ce1638c0867cc6e82aec [0,2,0,0,0,0|2,0,0]=4 4828 B21R3.3957577 C[C@@H](N[C@H]1CCCC[C@@H]1O)c2nc3ccccc3[nH]2 44b5f52d2ca72e9c41355456a1edd39e [0,2,0,0,0,0|2,0,0]=4 4829 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2cc3ccccc3s2 2076a985c646825a2ab5180522af98c5 [0,2,0,0,0,0|2,0,0]=4 4830 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2nc3ccccc3o2 5f3e3ad44ece86ca737038865d4ac2a7 [0,2,0,0,0,0|1,1,0]=4 4831 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2nc3ccccc3s2 6a0874089552dc869aa52443d548e281 [0,2,0,0,0,0|1,0,0]=3 4832 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2nc3cccnc3s2 c1ffa3e9e9afea6f7cbb7b441c059370 [0,2,0,0,0,0|2,0,0]=4 4833 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2nc3ccncc3s2 31e56ffd0bbc6ab3012df99825eb8608 [0,2,0,0,0,0|2,0,0]=4 4834 B21R3.3957577 C[C@@H]1CCCC[C@@H]1NC(=O)c2nc3cnccc3s2 24792c9f8f446ff7bd7885adb767570a [0,2,0,0,0,0|2,0,0]=4 4835 B21R3.3957577 C[C@@H]1CCCC[C@@H]1N[C@H](C)c2nc3ccccc3[nH]2 8917b1e79ddd73f1e1277a44636156af [0,2,0,0,0,0|2,0,0]=4 4836 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2cc3ccccc3s2 12e967189ddc54e10e2c173679e5bd3a [0,2,0,0,0,0|2,0,0]=4 4837 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2nc3ccccc3o2 a3ffb08fc8634e7193c29f3f53ab6d02 [0,2,0,0,0,0|1,1,0]=4 4838 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2nc3ccccc3s2 0a6b0e9e14fc5cbc8f5bad4338d3b4cf [0,2,0,0,0,0|1,0,0]=3 4839 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2nc3cccnc3s2 fb10fec0648a63e4a5f294b80f3b12de [0,2,0,0,0,0|2,0,0]=4 4840 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2nc3ccncc3s2 95c8d1af6f73b62121b204849878356d [0,2,0,0,0,0|2,0,0]=4 4841 B21R3.3957577 C[C@@H]1CCCC[C@H]1NC(=O)c2nc3cnccc3s2 7c07f6394ec9cce2928b7e0b8475e514 [0,2,0,0,0,0|2,0,0]=4 4842 B21R3.3957577 C[C@@H]1COCC[C@@H]1NC(=O)c2nc3ccccc3s2 cf90e596ccb0f4d91bfc07ce43cf6c93 [0,2,0,0,0,0|2,0,0]=4 4843 B21R3.3957577 C[C@H](NC1CCCCC1=O)c2nc3ccccc3s2 f7999c08c1c333dbe1e384e99d078c4d [0,2,0,0,0,0|1,0,1]=4 4844 B21R3.3957577 C[C@H](NC1CCCCC1F)c2cc3ccccc3s2 c07ac494c1c6aab77334d08f1a84f580 [0,2,0,0,0,0|2,0,0]=4 4845 B21R3.3957577 C[C@H](NC1CCCCC1F)c2nc3ccccc3s2 807c61660886343ba0b04e81129638a8 [0,2,0,0,0,0|1,0,0]=3 4846 B21R3.3957577 C[C@H](NC1CCCCC1O)c2cc3ccccc3s2 62ffc23b3f7fa1acf67958169e2040fe [0,2,0,0,0,0|2,0,0]=4 4847 B21R3.3957577 C[C@H](NC1CCCCC1O)c2nc3ccccc3s2 0750a036275539cbea3ecea9e5ee702a [0,2,0,0,0,0|1,0,0]=3 4848 B21R3.3957577 C[C@H](N[C@H]1CCCC[C@@H]1O)c2cc3ccccc3s2 6ef74f4e72ac67c4a495dbacdc3357f4 [0,2,0,0,0,0|2,0,0]=4 4849 B21R3.3957577 C[C@H](N[C@H]1CCCC[C@@H]1O)c2nc3ccccc3s2 ccb6c0022cdd21eb3a014f0b2e12bd98 [0,2,0,0,0,0|1,0,0]=3 4850 B21R3.3957577 C[C@H](N[C@H]1CCCC[C@H]1C)c2cc3ccccc3s2 920c214f506dbb1587914803eee83a2a [0,2,0,0,0,0|2,0,0]=4 4851 B21R3.3957577 C[C@H](N[C@H]1CCCC[C@H]1C)c2nc3ccccc3s2 1fd48d029e0d06f7bac71c0ba30af5ee [0,2,0,0,0,0|1,0,0]=3 4852 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2cc3ccccc3s2 ae529232ef1712088d9f86efe8b01cd8 [0,2,0,0,0,0|2,0,0]=4 4853 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2nc3ccccc3o2 4d7076036157e564001a4e952e6cd553 [0,2,0,0,0,0|1,1,0]=4 4854 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2nc3ccccc3s2 45c925b261ce2ea32f77b23b74f0b250 [0,2,0,0,0,0|1,0,0]=3 4855 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2nc3cccnc3s2 0eaf2f2f263ac4dab61322e7064cb303 [0,2,0,0,0,0|2,0,0]=4 4856 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2nc3ccncc3s2 294f62593848a627f94402cdf431a01c [0,2,0,0,0,0|2,0,0]=4 4857 B21R3.3957577 C[C@H]1CCCC[C@@H]1NC(=O)c2nc3cnccc3s2 28b61941976d328b8cb03bb61f0fe0aa [0,2,0,0,0,0|2,0,0]=4 4858 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2cc3ccccc3s2 06aeefd09734e328c240912bcc4bd707 [0,2,0,0,0,0|2,0,0]=4 4859 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2nc3ccccc3o2 7451f79baa78997f5efc0662248271b8 [0,2,0,0,0,0|1,1,0]=4 4860 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2nc3ccccc3s2 e4b6bc44b06ee2fbf1c61899619a09d4 [0,2,0,0,0,0|1,0,0]=3 4861 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2nc3cccnc3s2 a9d712a79ecdc05521f55a540aef4c02 [0,2,0,0,0,0|2,0,0]=4 4862 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2nc3ccncc3s2 c4a38fa7ffac405d432820e4d7cfe90e [0,2,0,0,0,0|2,0,0]=4 4863 B21R3.3957577 C[C@H]1CCCC[C@H]1NC(=O)c2nc3cnccc3s2 888c877b3780a92e0f879a3dfc34bacb [0,2,0,0,0,0|2,0,0]=4 4864 B21R3.3957577 C[C@H]1COCC[C@H]1NC(=O)c2nc3ccccc3s2 239c35c6fa9cbc76abf8d3f4701a966f [0,2,0,0,0,0|2,0,0]=4 4865 B21R3.3957577 O=C(NC1CCCCC1O)c2cc3ccccc3s2 587a280f9f26595328d57a8b5beb332f [0,2,0,0,0,0|2,0,0]=4 4866 B21R3.3957577 O=C(NC1CCCCC1O)c2nc3ccccc3o2 c74b8fb1bade236030153034bd2cd11a [0,2,0,0,0,0|1,1,0]=4 4867 B21R3.3957577 O=C(NC1CCCCC1O)c2nc3ccccc3s2 2ad084d915a114e8a99919e3cda4545d [0,2,0,0,0,0|1,0,0]=3 4868 B21R3.3957577 O=C(NC1CCCCC1O)c2nc3cccnc3s2 eb8b28868a09b0de90b73be2de3bfed7 [0,2,0,0,0,0|2,0,0]=4 4869 B21R3.3957577 O=C(NC1CCCCC1O)c2nc3ccncc3s2 6b3e07998b71fd27f9774b559e40e0cb [0,2,0,0,0,0|2,0,0]=4 4870 B21R3.3957577 O=C(NC1CCCCC1O)c2nc3cnccc3s2 0702c8c498323c39cd3a9ee36424a79c [0,2,0,0,0,0|2,0,0]=4 4871 B21R3.3957577 O=C(NC1CCOCC1O)c2nc3ccccc3s2 5cf6b85acee653f89d62febf13280bf1 [0,2,0,0,0,0|2,0,0]=4 4872 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2cc3ccccc3s2 f2db12c777dd5143cb84f01a30205884 [0,2,0,0,0,0|2,0,0]=4 4873 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2nc3ccccc3o2 0203fca57a04bf06a8565b82f1e5a2ba [0,2,0,0,0,0|1,1,0]=4 4874 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2nc3ccccc3s2 189a7c975516afb6568cff8009c32811 [0,2,0,0,0,0|1,0,0]=3 4875 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2nc3cccnc3s2 925dd51409fa18ea1994da2bf254a46f [0,2,0,0,0,0|2,0,0]=4 4876 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2nc3ccncc3s2 9a10d352d31b10dd52200878079e4e7e [0,2,0,0,0,0|2,0,0]=4 4877 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1O)c2nc3cnccc3s2 6eaefddd8e0664860a5c69bb9df2dda6 [0,2,0,0,0,0|2,0,0]=4 4878 B21R3.3957577 O=C(N[C@@H]1CCOC[C@@H]1O)c2nc3ccccc3s2 e273f85e4f1e2bf78ddccefd8bcc2fc1 [0,2,0,0,0,0|2,0,0]=4 4879 B21R3.3957577 O=C(N[C@@H]1CCOC[C@H]1F)c2nc3ccccc3s2 aaed89253e5f211ff9056c4dd2d40f59 [0,2,0,0,0,0|2,0,0]=4 4880 B21R3.3957577 O=C(N[C@@H]1CCOC[C@H]1O)c2nc3ccccc3s2 8977e63ffb444043db6cc44b58347737 [0,2,0,0,0,0|2,0,0]=4 4881 B21R3.3957577 O=C(N[C@@H]1COCC[C@@H]1O)c2nc3ccccc3s2 dd99da623f498f2f0a0a928a1ad29ad0 [0,2,0,0,0,0|2,0,0]=4 4882 B21R3.3957577 O=C(N[C@@H]1COCC[C@H]1O)c2nc3ccccc3s2 a9e029da8a10b7809a363cf7ed416577 [0,2,0,0,0,0|2,0,0]=4 4883 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2cc3ccccc3s2 9dca0bfb900608ea76c5e0ab3688781d [0,2,0,0,0,0|2,0,0]=4 4884 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2nc3ccccc3o2 ef623655bda47634d27312b88f97ba05 [0,2,0,0,0,0|1,1,0]=4 4885 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2nc3ccccc3s2 ae3d25a40743fc22cf341fd73a0ea757 [0,2,0,0,0,0|1,0,0]=3 4886 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2nc3cccnc3s2 13d9a0fe4f5a6eec988a491b593808da [0,2,0,0,0,0|2,0,0]=4 4887 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2nc3ccncc3s2 980dd6bd9bd14eb5baf534e81c6a08f5 [0,2,0,0,0,0|2,0,0]=4 4888 B21R3.3957577 O=C(N[C@H]1CCCC[C@@H]1O)c2nc3cnccc3s2 7fa8ec898eab74277d0b160cd394f174 [0,2,0,0,0,0|2,0,0]=4 4889 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2cc3ccccc3s2 3394ee6ea7346ca0472ce2e67d610dcb [0,2,0,0,0,0|2,0,0]=4 4890 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2nc3ccccc3o2 6e876ddd42c13c797e96df26e3520f77 [0,2,0,0,0,0|1,1,0]=4 4891 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2nc3ccccc3s2 58841d3b5815b7423fe5da78530ae936 [0,2,0,0,0,0|1,0,0]=3 4892 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2nc3cccnc3s2 a2295608d457255b0d72c98493ae5ff0 [0,2,0,0,0,0|2,0,0]=4 4893 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2nc3ccncc3s2 20019245d59b8d4cfe7558d1418c2a3a [0,2,0,0,0,0|2,0,0]=4 4894 B21R3.3957577 O=C(N[C@H]1CCCC[C@H]1O)c2nc3cnccc3s2 a61d0d9e6b44f8647458b59f388ae835 [0,2,0,0,0,0|2,0,0]=4 4895 B21R3.3957577 O=C(N[C@H]1CCOC[C@@H]1F)c2nc3ccccc3s2 7dbe61260ab438f33f34078252931be0 [0,2,0,0,0,0|2,0,0]=4 4896 B21R3.3957577 O=C(N[C@H]1CCOC[C@@H]1O)c2nc3ccccc3s2 5c2395b7056c6914456ab166bd2022b3 [0,2,0,0,0,0|2,0,0]=4 4897 B21R3.3957577 O=C(N[C@H]1CCOC[C@H]1O)c2nc3ccccc3s2 64b2b94aaeb1a073344465d1c5f84981 [0,2,0,0,0,0|2,0,0]=4 4898 B21R3.3957577 O=C(N[C@H]1COCC[C@@H]1O)c2nc3ccccc3s2 382a28c396312810c0f809b073d2b100 [0,2,0,0,0,0|2,0,0]=4 4899 B21R3.3957577 O=C(N[C@H]1COCC[C@H]1O)c2nc3ccccc3s2 9b82ae876a98027635e35ad0291c8f10 [0,2,0,0,0,0|2,0,0]=4 4900 B21R3.4001273 CC1CC(CCN1CSc2nc3ccccc3s2)O 50024e213a549327830950df2c1775f2 [0,2,0,0,0,0|2,0,0]=4 4901 B21R3.4001273 CC1CCC(C(C1)C)OCc2nc3ccccc3s2 2ae570f4b6e515498e94570b4b4e268e [0,2,0,0,0,0|2,0,0]=4 4902 B21R3.4001273 CC1CCN(C(C1)C)CSc2nc3ccccc3s2 b891f42b31884ae37bd8d9311f57693c [0,2,0,0,0,0|2,0,0]=4 4903 B21R3.4001273 CN1CC[C@H]([C@@H](C1)F)NCc2nc3ccccc3s2 0e4dbf1cf4e96cd48f3ca8656d46b08d [0,2,0,0,0,0|2,0,0]=4 4904 B21R3.4001273 CN1CC[C@H]([C@H](C1)F)NCc2nc3ccccc3s2 8c4314c195fcb4183b393f4e04571a7a [0,2,0,0,0,0|2,0,0]=4 4905 B21R3.4001273 C[C@@H]1CCN([C@@H](C1)C)CSc2nc3ccccc3s2 6f4395dd1028862087724d5cce32ee9c [0,2,0,0,0,0|2,0,0]=4 4906 B21R3.4001273 C[C@@H]1C[C@@H](CCN1CSc2nc3ccccc3s2)O 60d598a293a580cc9a83761afd4875a3 [0,2,0,0,0,0|2,0,0]=4 4907 B21R3.4001273 C[C@@H]1C[C@H](CCN1CSc2nc3ccccc3s2)O 7b1e5715d8b75b22d965efd53c89fb71 [0,2,0,0,0,0|2,0,0]=4 4908 B21R3.4001273 C[C@H]1CCN([C@H](C1)C)CSc2nc3ccccc3s2 2544b38ce2d65966cbe9cc9e4253e899 [0,2,0,0,0,0|2,0,0]=4 4909 B21R3.30899 CC1CCC(CC1)CNc2nc3c(cccc3s2)Br 089ee4ce6975653146c3f4f4b81d4642 [0,2,0,0,0,0|2,0,0]=4 4910 B21R3.30899 CC1CCC(CC1)CNc2nc3c(cccc3s2)Cl dba72006da8fe1bd4b0c8d4d2908b8ad [0,2,0,0,0,0|2,0,0]=4 4911 B21R3.30899 CC1CCC(CC1)CNc2nc3c(cccc3s2)F 65cb53cba2c732b802372242d0dc5f98 [0,2,0,0,0,0|2,0,0]=4 4912 B21R3.30899 CC1CCC(CC1)CNc2nc3c(cccc3s2)I de684666fd2388c1589c11e54c3380ef [0,2,0,0,0,0|2,0,0]=4 4913 B21R3.30899 CC1CCC(CC1)CNc2nc3cccc(c3s2)Br a0e0854efa82ef35f63e196e1ae9e24f [0,2,0,0,0,0|2,0,0]=4 4914 B21R3.30899 CC1CCC(CC1)CNc2nc3cccc(c3s2)Cl 737b07dbe1ea0a9d74fb6ed4a8fb963a [0,2,0,0,0,0|2,0,0]=4 4915 B21R3.30899 CC1CCC(CC1)CNc2nc3cccc(c3s2)F 0c16d481990688a4d05b0bfdfcb653ce [0,2,0,0,0,0|2,0,0]=4 4916 B21R3.30899 CC1CCC(CC1)NCc2cc3c(cccc3s2)Br 475ac75a3d812941727b9fae946e6068 [0,2,0,0,0,0|2,0,0]=4 4917 B21R3.30899 CC1CCC(CC1)NCc2cc3c(cccc3s2)Cl ecb93c15f1dfa5096780a550e94c212a [0,2,0,0,0,0|2,0,0]=4 4918 B21R3.30899 CC1CCC(CC1)NCc2nc3c(cccc3o2)Cl 0c221a155126f7dd5ea7dd3d43fa01f8 [0,2,0,0,0,0|1,1,0]=4 4919 B21R3.30899 CC1CCC(CC1)NCc2nc3c(cccc3o2)F 2fef037f4001596bd308d274547a92c4 [0,2,0,0,0,0|1,1,0]=4 4920 B21R3.30899 CC1CCC(CC1)NCc2nc3cccc(c3[nH]2)F 37da5f01c21d22fdf8f3e80b733ec23f [0,2,0,0,0,0|2,0,0]=4 4921 B21R3.30899 CC1CCC(CC1)NCc2nc3cccc(c3o2)F 61ee926a0e3e84e826a26ac6ea34aff4 [0,2,0,0,0,0|1,1,0]=4 4922 B21R3.30899 CC1CCC(CC1)OCc2nc3c(cccc3s2)Br 0afcad3f1b88e169b44edda02a82a41c [0,2,0,0,0,0|2,0,0]=4 4923 B21R3.30899 CC1CCC(CC1)OCc2nc3c(cccc3s2)F 3d02493a251d678cb6ccb4f5eb6ac0e8 [0,2,0,0,0,0|2,0,0]=4 4924 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Br 0561a80b48afd3584e731701caf4028c [0,2,0,0,0,0|2,0,0]=4 4925 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Cl 7270572c9e7401fd5e6fe6bbab08e2ce [0,2,0,0,0,0|2,0,0]=4 4926 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2nc3c(cccc3o2)Cl e779c1304b17ac27f0bae30ed11a11b0 [0,2,0,0,0,0|1,1,0]=4 4927 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2nc3c(cccc3o2)F e7d7e929327584014a0cd992e46f527b [0,2,0,0,0,0|1,1,0]=4 4928 B21R3.30899 C[C@H]1CC[C@@H](CC1)NCc2nc3cccc(c3o2)F d2ae10c1eaa710796b0608a41b4acd26 [0,2,0,0,0,0|1,1,0]=4 4929 B21R3.30899 C[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Br 052a2224971d8b5613000d71932a3393 [0,2,0,0,0,0|2,0,0]=4 4930 B21R3.30899 C[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Cl c598aeea1d209ac3a2115efe9ed54fb3 [0,2,0,0,0,0|2,0,0]=4 4931 B21R3.30899 C[C@H]1CC[C@H](CC1)NCc2nc3c(cccc3o2)Cl 23188723ba9d1758b90349c1edd55664 [0,2,0,0,0,0|1,1,0]=4 4932 B21R3.30899 C[C@H]1CC[C@H](CC1)NCc2nc3c(cccc3o2)F c65fbc92235751189ed11c6219df1876 [0,2,0,0,0,0|1,1,0]=4 4933 B21R3.30899 C[C@H]1CC[C@H](CC1)NCc2nc3cccc(c3o2)F 151d99e369444590d169b10ce1b72c5d [0,2,0,0,0,0|1,1,0]=4 4934 B21R3.30899 Cc1cccc2c1nc([nH]2)CNC3CCC(CC3)C dbc10cb669648e03538d09f815d9f516 [0,2,0,0,0,0|2,0,0]=4 4935 B21R3.30899 Cc1cccc2c1nc([nH]2)CNC3CCC(CC3)O ca0385fcca4c4587cff275e948657f73 [0,2,0,0,0,0|2,0,0]=4 4936 B21R3.30899 Cc1cccc2c1nc(s2)NCC3CCC(CC3)C bc5f0947fe3e11792ce2a7d46c19ea3a [0,2,0,0,0,0|2,0,0]=4 4937 B21R3.30899 Cc1cccc2c1nc(s2)OCC3CCC(CC3)C ba8486f9d9b96183fdf131f7b6e84e05 [0,2,0,0,0,0|1,1,0]=4 4938 B21R3.30899 Cc1cccc2c1sc(n2)NCC3CCC(CC3)C 2b0e4dba276e4190fc8f75189c603d23 [0,2,0,0,0,0|2,0,0]=4 4939 B21R3.30899 Clc1cccc2c1cc(s2)CNC3CCC(CC3)Cl 192cdb1fd9b76ae49a1207a9a66a5adb [0,2,0,0,0,0|2,0,0]=4 4940 B21R3.30899 Clc1cccc2c1cc(s2)CN[C@H]3CC[C@@H](CC3)Cl bc35c549853297a75de85a6f3349db5d [0,2,0,0,0,0|2,0,0]=4 4941 B21R3.30899 Clc1cccc2c1cc(s2)CN[C@H]3CC[C@H](CC3)Cl 77b86045dc4b54d1dabb98e2cb126b01 [0,2,0,0,0,0|2,0,0]=4 4942 B21R3.30899 Clc1cccc2c1nc(o2)CNC3CCC(CC3)Cl 18110b7f602cb94d950dda6171e3c407 [0,2,0,0,0,0|1,1,0]=4 4943 B21R3.30899 Clc1cccc2c1nc(o2)CN[C@H]3CC[C@@H](CC3)Cl 6c7c35d80a69c6f0b9eca6fd23db772f [0,2,0,0,0,0|1,1,0]=4 4944 B21R3.30899 Clc1cccc2c1nc(o2)CN[C@H]3CC[C@H](CC3)Cl 1c7383c7120b31bd8891a5ffa55e5815 [0,2,0,0,0,0|1,1,0]=4 4945 B21R3.30899 OC1CCC(CC1)NCc2cc3c(cccc3s2)Cl 2b91330d488551c0e717438ce21f2d14 [0,2,0,0,0,0|2,0,0]=4 4946 B21R3.30899 OC1CCC(CC1)NCc2nc3c(cccc3o2)Cl 73af9bbc57c6973492a596f5f7b40201 [0,2,0,0,0,0|1,1,0]=4 4947 B21R3.30899 OC1CCC(CC1)NCc2nc3c(cccc3o2)F e67bb48e87b71df9b2d66bf5aeb2ead2 [0,2,0,0,0,0|1,1,0]=4 4948 B21R3.30899 OC1CCC(CC1)NCc2nc3cccc(c3o2)F fc788a3ddf65ecda79c7a8e06bb0abc6 [0,2,0,0,0,0|1,1,0]=4 4949 B21R3.30899 O[C@H]1CC[C@@H](CC1)NCc2cc3c(cccc3s2)Cl 3c6b16d807c4404926278e835c83cf1e [0,2,0,0,0,0|2,0,0]=4 4950 B21R3.30899 O[C@H]1CC[C@@H](CC1)NCc2nc3c(cccc3o2)Cl 4964d35efc0f0fc89d3590ac9e6f0508 [0,2,0,0,0,0|1,1,0]=4 4951 B21R3.30899 O[C@H]1CC[C@@H](CC1)NCc2nc3c(cccc3o2)F 691da4c48d38cac35c31836c20148186 [0,2,0,0,0,0|1,1,0]=4 4952 B21R3.30899 O[C@H]1CC[C@@H](CC1)NCc2nc3cccc(c3o2)F 07847c2ec12a6f9061363318fc02632e [0,2,0,0,0,0|1,1,0]=4 4953 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Cl c09fdbf25f1d600cbc5828854e2e3dc9 [0,2,0,0,0,0|2,0,0]=4 4954 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2nc3c(cccc3o2)Cl 1a96ed3add42a8fe250cfd9d29b170f3 [0,2,0,0,0,0|1,1,0]=4 4955 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2nc3c(cccc3o2)F e00a715bfd3615e7fe7da5f10e142013 [0,2,0,0,0,0|1,1,0]=4 4956 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2nc3cccc(c3o2)F 6b6f589258cde7fcd0e4f6e67f1eaf43 [0,2,0,0,0,0|1,1,0]=4 4957 B21R3.393361 Cc1cccc2c1nc(s2)C(=O)NC3CCOCC3 d3defc543330b7e4374456cd9e6cfdb5 [0,2,0,0,0,0|2,0,0]=4 4958 B21R3.393361 Cc1cccc2c1nc(s2)C(=O)NC3CCSCC3 99a80dfe4b99273fb6cda010f854b0be [0,2,0,0,0,0|2,0,0]=4 4959 B21R3.393361 O=C(NC1CCCOC1)c2nc3c(cccc3s2)Br 1367a67bab9a25be6bbd12ea6fc552ea [0,2,0,0,0,0|2,0,0]=4 4960 B21R3.393361 O=C(NC1CCCOC1)c2nc3c(cccc3s2)F c2e26173dc16c4f0698fb1cf6d165b8b [0,2,0,0,0,0|2,0,0]=4 4961 B21R3.393361 O=C(NC1CCCOC1)c2nc3cccc(c3s2)Br ad6913ebf6a82dcaf6653a63a6ad5443 [0,2,0,0,0,0|2,0,0]=4 4962 B21R3.393361 O=C(NC1CCOCC1)c2nc3c(cccc3s2)Br f60798d78a855f9083a59cbc441c4d84 [0,2,0,0,0,0|2,0,0]=4 4963 B21R3.393361 O=C(NC1CCOCC1)c2nc3c(cccc3s2)F f51fc91b565ff9703178019f3a20c1a8 [0,2,0,0,0,0|2,0,0]=4 4964 B21R3.393361 O=C(NC1CCOCC1)c2nc3cccc(c3s2)Br ab6f9226ea0a9c15520055bf489e9cfb [0,2,0,0,0,0|2,0,0]=4 4965 B21R3.393361 O=C(NC1CCSCC1)c2nc3c(cccc3s2)Br 6704bf35dd300d7b221c6883c6fb1f57 [0,2,0,0,0,0|2,0,0]=4 4966 B21R3.393361 O=C(NC1CCSCC1)c2nc3c(cccc3s2)F 5c205161e9579f7db8d0446eb5a81514 [0,2,0,0,0,0|2,0,0]=4 4967 B21R3.393361 O=C(NC1CCSCC1)c2nc3cccc(c3s2)Br 47c099fbe1bbf9cc816ad23b95b03024 [0,2,0,0,0,0|2,0,0]=4 4968 B21R3.393361 O=C(N[C@@H]1CCCOC1)c2nc3c(cccc3s2)Br 0e4f344289b153a59b4a4c54d1c06222 [0,2,0,0,0,0|2,0,0]=4 4969 B21R3.393361 O=C(N[C@@H]1CCCOC1)c2nc3c(cccc3s2)F 686da0308fb20d3cf7f8e1db1ea89ea0 [0,2,0,0,0,0|2,0,0]=4 4970 B21R3.393361 O=C(N[C@@H]1CCCOC1)c2nc3cccc(c3s2)Br ad64e8603432c8746209fd95e169271e [0,2,0,0,0,0|2,0,0]=4 4971 B21R3.393361 O=C(N[C@H]1CCCOC1)c2nc3c(cccc3s2)Br e00af4399e0f92c281f2b8dc37739d30 [0,2,0,0,0,0|2,0,0]=4 4972 B21R3.393361 O=C(N[C@H]1CCCOC1)c2nc3c(cccc3s2)F 8456191e76235e64a4557700249567a7 [0,2,0,0,0,0|2,0,0]=4 4973 B21R3.393361 O=C(N[C@H]1CCCOC1)c2nc3cccc(c3s2)Br b51cf14de407954519d31b2b4a97d39c [0,2,0,0,0,0|2,0,0]=4 4974 B21R3.432556 Brc1ccc(c2c1nc(s2)NCC3CCCCC3)Br b8cffd518f77c887ac7b2b483fdde68b [0,2,0,0,0,0|2,0,0]=4 4975 B21R3.432556 Cc1ccc(c2c1nc(s2)NCC3CCCCC3)Br f1f6b06c2685c09344236ebe55b37fac [0,2,0,0,0,0|2,0,0]=4 4976 B21R3.432556 Cc1ccc(c2c1nc(s2)NCC3CCCCC3)C 408dff6db3bc2fdc6b7713aaa47dfbde [0,2,0,0,0,0|2,0,0]=4 4977 B21R3.432556 Clc1ccc(c2c1nc(s2)NCC3CCCCC3)Cl 947deb06d259769097edea729c7d3f80 [0,2,0,0,0,0|2,0,0]=4 4978 B21R3.432556 Clc1ccc(c2c1sc(n2)NCC3CCCCC3)Br 980fb60c3ef3ed55a8ce872ac0f2ce3f [0,2,0,0,0,0|2,0,0]=4 4979 B21R3.432556 Fc1ccc(c2c1nc(s2)NCC3CCCCC3)Cl 01ce6742e98191d7c14f8c9e4c198a89 [0,2,0,0,0,0|2,0,0]=4 4980 B21R3.432556 Fc1ccc(c2c1sc(n2)NCC3CCCCC3)Br a305e3b5dbcdc6dbc0992af662bbbdd1 [0,2,0,0,0,0|2,0,0]=4 4981 B21R3.727906 CCc1cccc2c1nc(s2)NCC3CCCCC3 d7c38bf328cd052873893144caa1dae9 [0,2,0,0,0,0|2,0,0]=4 4982 B21R3.727906 COc1cccc2c1nc(s2)NCC3CCCCC3 3489a95a2911cfb0bb705784dd1eea09 [0,2,0,0,0,0|2,0,0]=4 4983 B21R3.727906 COc1cccc2c1sc(n2)NCC3CCCCC3 98d8997c77d20f0ddcbaf203977dba19 [0,2,0,0,0,0|2,0,0]=4 4984 B21R3.727906 CSc1cccc2c1nc(s2)NCC3CCCCC3 049a7dbe09c834945b770a9da2eaa957 [0,2,0,0,0,0|2,0,0]=4 4985 B21R3.727906 N#Cc1cccc2c1sc(n2)NCC3CCCCC3 145880224bac1125658b726eada00817 [0,2,0,0,0,0|2,0,0]=4 4986 B21R3.38112063 CC1(CCCCC1)CNc2nc3c(cccc3s2)Br db69718800f583ea068f6fe14355e144 [0,2,0,0,0,0|2,0,0]=4 4987 B21R3.38112063 CC1(CCCCC1)CNc2nc3c(cccc3s2)Cl 717ca93887ad3167f3ba39426abb09ac [0,2,0,0,0,0|2,0,0]=4 4988 B21R3.38112063 CC1(CCCCC1)CNc2nc3c(cccc3s2)F a262e6af102bf24675947eef2c34b7c9 [0,2,0,0,0,0|2,0,0]=4 4989 B21R3.38112063 CC1(CCCCC1)CNc2nc3c(cccc3s2)I 72607cbf6ae98075432012c840464ab7 [0,2,0,0,0,0|2,0,0]=4 4990 B21R3.38112063 CC1(CCCCC1)CNc2nc3cccc(c3s2)Br 72405272fee5f62c44775122f453e7ed [0,2,0,0,0,0|2,0,0]=4 4991 B21R3.38112063 CC1(CCCCC1)CNc2nc3cccc(c3s2)Cl 606968883552de203ea718602810cdb4 [0,2,0,0,0,0|2,0,0]=4 4992 B21R3.38112063 CC1(CCCCC1)CNc2nc3cccc(c3s2)F 1764477a42b4d58827ab11765c315e4b [0,2,0,0,0,0|2,0,0]=4 4993 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Br 368d134100ad42ee26559b2ecca7d6a5 [0,2,0,0,0,0|2,0,0]=4 4994 B21R3.38112063 CC1(CCCCC1)NCc2cc3c(cccc3s2)Cl e35dfd534d6f80b2f6cd169d1f3a475c [0,2,0,0,0,0|2,0,0]=4 4995 B21R3.38112063 CC1(CCCCC1)NCc2nc3c(cccc3o2)Cl 79e674de8a87458940e9d9b7ee249f8a [0,2,0,0,0,0|1,1,0]=4 4996 B21R3.38112063 CC1(CCCCC1)NCc2nc3c(cccc3o2)F e1e2c64c41bd4af4d43db96f7cffbd31 [0,2,0,0,0,0|1,1,0]=4 4997 B21R3.38112063 CC1(CCCCC1)NCc2nc3cccc(c3o2)F ffe1401281685c109ee702ecb864884a [0,2,0,0,0,0|1,1,0]=4 4998 B21R3.38112063 Cc1cccc2c1nc(s2)NCC3(CCCCC3)C 5b3ca923afa1ec4578bc72bb201a9070 [0,2,0,0,0,0|2,0,0]=4 4999 B21R3.38112063 Cc1cccc2c1nc(s2)OCC3(CCCCC3)C 5863fa4ca8c88f8f794746ae2f2d6780 [0,2,0,0,0,0|1,1,0]=4 5000 B21R3.38112063 Cc1cccc2c1sc(n2)NCC3(CCCCC3)C e1cee8a85dabd642e5e79410668312b6 [0,2,0,0,0,0|2,0,0]=4 5001 B21R3.546953 CCN(CC1CCCCC1)c2nc3ccccc3s2 3719fe17122bf39410552d2825de8fea [0,2,0,0,0,0|2,0,0]=4 5002 B21R3.546953 OCC(NC1CCCCC1)c2nc3ccccc3[nH]2 580ea7c48cc03ee178107854571778ca [0,2,0,0,0,0|2,0,0]=4 5003 B21R3.659958 CC(NC1CCC(=O)CC1)c2nc3ccccc3s2 9d164e2d7155516a3d6855049ff1c89f [0,2,0,0,0,0|1,0,1]=4 5004 B21R3.659958 CC(NC1CCC(CC1)O)c2nc3ccccc3s2 237b151ecbed2a9fd473343ad2ff4b26 [0,2,0,0,0,0|1,0,0]=3 5005 B21R3.659958 CC(NC1CCN(CC1)C)c2nc3ccccc3s2 d300ecbd31f91fee28cdd19e17b4d2d8 [0,2,0,0,0,0|2,0,0]=4 5006 B21R3.659958 CC1CCC(CC1)CN(C)c2nc3ccccc3s2 8723c3cec696db8f095eab583088f318 [0,2,0,0,0,0|2,0,0]=4 5007 B21R3.659958 CC1CCC(CC1)NC(=O)c2cc3ccccc3s2 698475bb0c87234d04c3eea76014ec1f [0,2,0,0,0,0|2,0,0]=4 5008 B21R3.659958 CC1CCC(CC1)NC(=O)c2nc3ccccc3o2 4c8640d66bdc56e7f18abff341193bb8 [0,2,0,0,0,0|1,1,0]=4 5009 B21R3.659958 CC1CCC(CC1)NC(=O)c2nc3ccccc3s2 32df7b0b5d9a14d9d9d22f4c5ada24fd [0,2,0,0,0,0|1,0,0]=3 5010 B21R3.659958 CC1CCC(CC1)NC(=O)c2nc3cccnc3s2 fc92b00613b8aad1129e4a292b8997e3 [0,2,0,0,0,0|2,0,0]=4 5011 B21R3.659958 CC1CCC(CC1)NC(=O)c2nc3ccncc3s2 505bc63c876e1767333c214e3b1b3201 [0,2,0,0,0,0|2,0,0]=4 5012 B21R3.659958 CC1CCC(CC1)NC(=O)c2nc3cnccc3s2 7b92bc55c087352a9b709ce05164cbb5 [0,2,0,0,0,0|2,0,0]=4 5013 B21R3.659958 CC1CCC(CC1)NC(C)c2nc3ccccc3s2 2813a72a46302ac7baa1795b929e5035 [0,2,0,0,0,0|1,0,0]=3 5014 B21R3.659958 CC1CCC(CC1)N[C@@H](C)c2cc3ccccc3s2 9b687542db967e38c8f2ec358ff9f7bd [0,2,0,0,0,0|2,0,0]=4 5015 B21R3.659958 CC1CCC(CC1)N[C@@H](C)c2nc3ccccc3s2 1c86b85c73e0f8e2869709fe1debf500 [0,2,0,0,0,0|1,0,0]=3 5016 B21R3.659958 CC1CCC(CC1)N[C@H](C)c2nc3ccccc3[nH]2 e59aac145891304f6861dfe58ba8288f [0,2,0,0,0,0|2,0,0]=4 5017 B21R3.659958 CN1CCC(CC1)NC(=O)c2nc3ccccc3s2 92b7b9e0f84f52b075e2fa15ac4bc8d6 [0,2,0,0,0,0|2,0,0]=4 5018 B21R3.659958 C[C@@H](NC1CCC(CC1)O)c2nc3ccccc3[nH]2 a584241efff33e6e2769cfe6b7b9bdee [0,2,0,0,0,0|2,0,0]=4 5019 B21R3.659958 C[C@H](NC1CCC(=O)CC1)c2nc3ccccc3s2 55533de8b06da3ce048f978684d0f01e [0,2,0,0,0,0|1,0,1]=4 5020 B21R3.659958 C[C@H](NC1CCC(CC1)O)c2cc3ccccc3s2 c9d83f49e4ae83ce538e5a8693322bb8 [0,2,0,0,0,0|2,0,0]=4 5021 B21R3.659958 C[C@H](NC1CCC(CC1)O)c2nc3ccccc3s2 adce5276529926684631cc3d6d4756e4 [0,2,0,0,0,0|1,0,0]=3 5022 B21R3.659958 C[C@H](NC1CCN(CC1)C)c2nc3ccccc3s2 68aec5f3e3b9656155db3911d9226923 [0,2,0,0,0,0|2,0,0]=4 5023 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2cc3ccccc3s2 9f9aa3cd07833157c8d3884f46ba2157 [0,2,0,0,0,0|2,0,0]=4 5024 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3ccccc3o2 037404d0f6651b33b835add63f3b3ea6 [0,2,0,0,0,0|1,1,0]=4 5025 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3ccccc3s2 06af5d43f87b60617c11c9d9b8b3e2ed [0,2,0,0,0,0|1,0,0]=3 5026 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3cccnc3s2 1ca44071370542ceaa161f863dec5009 [0,2,0,0,0,0|2,0,0]=4 5027 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3ccncc3s2 6bf241fff723ec6d9069cfb07e6f66f3 [0,2,0,0,0,0|2,0,0]=4 5028 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3cnccc3s2 7407589a82bafa7cf470e10b1cba9d4e [0,2,0,0,0,0|2,0,0]=4 5029 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2cc3ccccc3s2 e7a28799b273aa72f157826381a979d2 [0,2,0,0,0,0|2,0,0]=4 5030 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3ccccc3o2 b4bd5b9188a58d261c2c393e26751cc4 [0,2,0,0,0,0|1,1,0]=4 5031 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3ccccc3s2 71cba7955bc25b401e3135b671e64dd1 [0,2,0,0,0,0|1,0,0]=3 5032 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3cccnc3s2 2fb8347efea602e1ddcdf861b66ef530 [0,2,0,0,0,0|2,0,0]=4 5033 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3ccncc3s2 6a3aa7399681aa11b89eaaf86aa72511 [0,2,0,0,0,0|2,0,0]=4 5034 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3cnccc3s2 4f66ba14141a1d312242c5d46d2a975d [0,2,0,0,0,0|2,0,0]=4 5035 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2cc3ccccc3s2 455ba527a293bff26a2b70403f2e8120 [0,2,0,0,0,0|2,0,0]=4 5036 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2nc3ccccc3o2 d5e9870f44843bcea9e310bdaef85bc1 [0,2,0,0,0,0|1,1,0]=4 5037 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2nc3ccccc3s2 37261182e6ce7dcb07ca711dd83fc5a1 [0,2,0,0,0,0|1,0,0]=3 5038 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2nc3cccnc3s2 7099965a76e9c0c1eb86baf7dedab6c3 [0,2,0,0,0,0|2,0,0]=4 5039 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2nc3ccncc3s2 0d8e18233b5ec2d47ffb06c40841831d [0,2,0,0,0,0|2,0,0]=4 5040 B21R3.659958 O=C(NC1CCC(CC1)Cl)c2nc3cnccc3s2 7e045ce67d45116e211e7ed70ee40ec0 [0,2,0,0,0,0|2,0,0]=4 5041 B21R3.659958 O=C(NC1CCC(CC1)O)c2cc3ccccc3s2 a028a60ab88b830338ef5769a39e73a1 [0,2,0,0,0,0|2,0,0]=4 5042 B21R3.659958 O=C(NC1CCC(CC1)O)c2nc3ccccc3o2 93e6a2e1d227fa61951c2fa21dfba8f2 [0,2,0,0,0,0|1,1,0]=4 5043 B21R3.659958 O=C(NC1CCC(CC1)O)c2nc3ccccc3s2 153b2c8bb1ae08cbfc05c74ef7104524 [0,2,0,0,0,0|1,0,0]=3 5044 B21R3.659958 O=C(NC1CCC(CC1)O)c2nc3cccnc3s2 ea1908b400d21973a295b82d6c9b5371 [0,2,0,0,0,0|2,0,0]=4 5045 B21R3.659958 O=C(NC1CCC(CC1)O)c2nc3ccncc3s2 7926d0f06a5463ce3b18d9f3e22cc441 [0,2,0,0,0,0|2,0,0]=4 5046 B21R3.659958 O=C(NC1CCC(CC1)O)c2nc3cnccc3s2 fc693716b69022721832388e83336d52 [0,2,0,0,0,0|2,0,0]=4 5047 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2cc3ccccc3s2 9b3932a0992d452943d164ee29855ce3 [0,2,0,0,0,0|2,0,0]=4 5048 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2nc3ccccc3o2 9148b57250afc5ec70a756a320c8bc65 [0,2,0,0,0,0|1,1,0]=4 5049 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2nc3ccccc3s2 9a6234498a6bba0789102a8eb5009d39 [0,2,0,0,0,0|1,0,0]=3 5050 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2nc3cccnc3s2 765fcdeb096c95cb363537558c23f4dc [0,2,0,0,0,0|2,0,0]=4 5051 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2nc3ccncc3s2 47fb7374d822f21295cf1979dee3db3e [0,2,0,0,0,0|2,0,0]=4 5052 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)Cl)c2nc3cnccc3s2 65294e886f04792eb624420d385b9b92 [0,2,0,0,0,0|2,0,0]=4 5053 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2cc3ccccc3s2 fe0891a42c1b44487b7fe9deeec94b71 [0,2,0,0,0,0|2,0,0]=4 5054 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2nc3ccccc3o2 b98fe95422464a2fba05edfab0ab0257 [0,2,0,0,0,0|1,1,0]=4 5055 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2nc3ccccc3s2 119811f76d7a0619b0bf0ba675f5a63b [0,2,0,0,0,0|1,0,0]=3 5056 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2nc3cccnc3s2 2cd40826936dd087056b59072da9423b [0,2,0,0,0,0|2,0,0]=4 5057 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2nc3ccncc3s2 07fad3467e810e0ec4b0b0910cd4797f [0,2,0,0,0,0|2,0,0]=4 5058 B21R3.659958 O=C(N[C@H]1CC[C@@H](CC1)O)c2nc3cnccc3s2 a53aaccc7718cda28732a294faba45b1 [0,2,0,0,0,0|2,0,0]=4 5059 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2cc3ccccc3s2 229ce204d1259afc793473ea8a8ce401 [0,2,0,0,0,0|2,0,0]=4 5060 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2nc3ccccc3o2 b96735f323833e400da8e39a4da12463 [0,2,0,0,0,0|1,1,0]=4 5061 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2nc3ccccc3s2 e8253f0b5225c84ea2a6520cf1cc436d [0,2,0,0,0,0|1,0,0]=3 5062 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2nc3cccnc3s2 6928c3ac8f86b06cfa6e1e870d1ae000 [0,2,0,0,0,0|2,0,0]=4 5063 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2nc3ccncc3s2 fc477b8668ed61b72a423dcbcef3fe46 [0,2,0,0,0,0|2,0,0]=4 5064 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)Cl)c2nc3cnccc3s2 8ce69ea703ef59f3a28b9de83c28376b [0,2,0,0,0,0|2,0,0]=4 5065 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2cc3ccccc3s2 b89b4f392a0107c473b8424943d24370 [0,2,0,0,0,0|2,0,0]=4 5066 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2nc3ccccc3o2 bb4437921c912885863e881daf5622ea [0,2,0,0,0,0|1,1,0]=4 5067 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2nc3ccccc3s2 d4a074f96bbb5c039c4ceb111534cbbd [0,2,0,0,0,0|1,0,0]=3 5068 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2nc3cccnc3s2 dea536e88f984607a8d4a56d5057ce8a [0,2,0,0,0,0|2,0,0]=4 5069 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2nc3ccncc3s2 930360823f2443383a83f86192f9b946 [0,2,0,0,0,0|2,0,0]=4 5070 B21R3.659958 O=C(N[C@H]1CC[C@H](CC1)O)c2nc3cnccc3s2 f433351a83e1d95bcaa54a6286629b78 [0,2,0,0,0,0|2,0,0]=4 5071 B21R3.147573735 CC1(CCCCC1)NC(=O)c2cc3ccccc3s2 45bed945b1edc5b25cf800cdcc8c5b3e [0,2,0,0,0,0|2,0,0]=4 5072 B21R3.147573735 CC1(CCCCC1)NC(=O)c2nc3ccccc3o2 1a5851f56e063fc786a4159a76e68aa9 [0,2,0,0,0,0|1,1,0]=4 5073 B21R3.147573735 CC1(CCCCC1)NC(=O)c2nc3cccnc3s2 6037d4d24a5825b2c7dd220b31c68126 [0,2,0,0,0,0|2,0,0]=4 5074 B21R3.147573735 CC1(CCCCC1)NC(=O)c2nc3ccncc3s2 62ae1c41f1d51e68d912d4e14d698922 [0,2,0,0,0,0|2,0,0]=4 5075 B21R3.147573735 CC1(CCCCC1)NC(=O)c2nc3cnccc3s2 3b1857c3cfe9f5ac32f135b73077f366 [0,2,0,0,0,0|2,0,0]=4 5076 B21R3.147573735 CC1(CCOCC1)NC(=O)c2nc3ccccc3s2 514d76853aa7d4c64c4d31659b6e3fe2 [0,2,0,0,0,0|2,0,0]=4 5077 B21R3.147573735 CN(CC1(CCCCC1)C)c2nc3ccccc3s2 7d3519dcffb1825266c7f82947d54752 [0,2,0,0,0,0|2,0,0]=4 5078 B21R3.9705 C#CC1CCC(CC1)NCc2cc3ccccc3s2 d7c3ff08bc70d7948c21595b0ff419df [0,2,0,0,0,0|2,0,0]=4 5079 B21R3.9705 C#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 4617748a24338317cb84c10314e2904b [0,2,0,0,0,0|2,0,0]=4 5080 B21R3.9705 C#CC1CCC(CC1)NCc2nc3ccccc3o2 c120c937559c701690ad795151d5c6a2 [0,2,0,0,0,0|1,1,0]=4 5081 B21R3.9705 C#CC1CCC(CC1)NCc2nc3ccccc3s2 57c8063db2fd68e31a210619ffddf1f8 [0,2,0,0,0,0|1,0,0]=3 5082 B21R3.9705 C#C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 dc747328ff3285793da2724947b13b7f [0,2,0,0,0,0|2,0,0]=4 5083 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3[nH]2 aabda18ee962da099496136464141621 [0,2,0,0,0,0|2,0,0]=4 5084 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3o2 d040fa07ac611df9b578c4fff2cbfa61 [0,2,0,0,0,0|1,1,0]=4 5085 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3s2 0ad4ff6bf283d0cea5de240d8b267043 [0,2,0,0,0,0|1,0,0]=3 5086 B21R3.9705 CCC1CCC(CC1)OCc2nc3ccccc3s2 c98afcebbe6c1aa733e584c3af0ae39b [0,2,0,0,0,0|2,0,0]=4 5087 B21R3.9705 CCC1CCN(CC1)CSc2nc3ccccc3s2 78f4ce8bc8011881b48640a8c2a1510a [0,2,0,0,0,0|2,0,0]=4 5088 B21R3.9705 CCN1CCC(CC1)NCc2nc3ccccc3s2 0e0a42d66d956ba40861c4bf7c5023a8 [0,2,0,0,0,0|2,0,0]=4 5089 B21R3.9705 CC[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3s2 777d27148fb3f98a5eb8b387c32e32ec [0,2,0,0,0,0|2,0,0]=4 5090 B21R3.9705 CC[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 31af0b0521b3c6057b54ea2bd298e600 [0,2,0,0,0,0|2,0,0]=4 5091 B21R3.9705 CC[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 39d273ff92a581bdebaf175708a8adc6 [0,2,0,0,0,0|2,0,0]=4 5092 B21R3.9705 COC1CCC(CC1)CNc2nc3ccccc3s2 f714254f4bed34baf3e97fd939d0c6e9 [0,2,0,0,0,0|2,0,0]=4 5093 B21R3.9705 COC1CCC(CC1)COc2nc3ccccc3s2 178df6cc3665b45983b9589eb9859b30 [0,2,0,0,0,0|1,1,0]=4 5094 B21R3.9705 COC1CCC(CC1)NCc2cc3ccccc3s2 f3bef8e7abf3d78e6899a50458085b12 [0,2,0,0,0,0|2,0,0]=4 5095 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3[nH]2 bf3f52a1db279af231f703a8fd2eb729 [0,2,0,0,0,0|2,0,0]=4 5096 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3o2 04eb19f16aa2ba82ae205fef47640661 [0,2,0,0,0,0|1,1,0]=4 5097 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3s2 af6c5bac6c4c045109b21da4eb4ff54d [0,2,0,0,0,0|1,0,0]=3 5098 B21R3.9705 COC1CCC(CC1)OCc2nc3ccccc3s2 66c226bc28f13c9784ae79ae844a5e9b [0,2,0,0,0,0|2,0,0]=4 5099 B21R3.9705 COC1CCN(CC1)CSc2nc3ccccc3s2 4fd0e116b1b52e5c0e79869a7daa66ad [0,2,0,0,0,0|2,0,0]=4 5100 B21R3.9705 CON1CCC(CC1)NCc2nc3ccccc3s2 c1579ae18882d76ca5b52158437b12cd [0,2,0,0,0,0|2,0,0]=4 5101 B21R3.9705 CO[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 4ef2e35f23c2862fda7ca93e770ff481 [0,2,0,0,0,0|2,0,0]=4 5102 B21R3.9705 CO[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 494dbc3e140e717a2616e637bd662b0b [0,2,0,0,0,0|2,0,0]=4 5103 B21R3.9705 CO[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 2492ef36d41fa99db117d80f02bbbfe8 [0,2,0,0,0,0|1,1,0]=4 5104 B21R3.9705 CO[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 f2d2f0a85f51e4ef91edac03f85ab162 [0,2,0,0,0,0|1,0,0]=3 5105 B21R3.9705 CO[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 9bd91e75eb511295aeb6fd3217e323ed [0,2,0,0,0,0|2,0,0]=4 5106 B21R3.9705 CO[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 62b993763ea87905724443f54b91eb5d [0,2,0,0,0,0|2,0,0]=4 5107 B21R3.9705 CO[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 b3bb234920e9d2acaad14966afe9024d [0,2,0,0,0,0|2,0,0]=4 5108 B21R3.9705 CO[C@H]1CC[C@H](CC1)NCc2nc3ccccc3o2 607883d93a95afa127213b7a7a7608bc [0,2,0,0,0,0|1,1,0]=4 5109 B21R3.9705 CO[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 3bc7e963937d57304cc637aedce7c423 [0,2,0,0,0,0|1,0,0]=3 5110 B21R3.9705 CO[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 5569dea48dbcbdff9d004b54fe0ab740 [0,2,0,0,0,0|2,0,0]=4 5111 B21R3.9705 CSC1CCN(CC1)CSc2nc3ccccc3s2 eff9ee215ddb4a786648962690727260 [0,2,0,0,0,0|2,0,0]=4 5112 B21R3.9705 FCC1CCN(CC1)CSc2nc3ccccc3s2 86c22176fad79633b8002266fbbb6162 [0,2,0,0,0,0|2,0,0]=4 5113 B21R3.9705 N#CC1CCC(CC1)NCc2cc3ccccc3s2 b508ec46ee954c6a91cc26c72903c086 [0,2,0,0,0,0|2,0,0]=4 5114 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 58c0af466468e7a588eaac9505d2949c [0,2,0,0,0,0|2,0,0]=4 5115 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3o2 7974a6c2e8cdf7fb8842074eef7dd58b [0,2,0,0,0,0|1,1,0]=4 5116 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3s2 8fb7c224902e07e4f1b5bc583c873641 [0,2,0,0,0,0|1,0,0]=3 5117 B21R3.9705 N#CC1CCC(CC1)OCc2nc3ccccc3s2 19a4aae5409a68f72611b7cb1ad23778 [0,2,0,0,0,0|2,0,0]=4 5118 B21R3.9705 N#CC1CCN(CC1)CSc2nc3ccccc3s2 1c05472b20fadcf1230b3e01d5c4d63d [0,2,0,0,0,0|2,0,0]=4 5119 B21R3.9705 N#C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 cfedb6585e23e1d4bd3abf94f1b3c959 [0,2,0,0,0,0|2,0,0]=4 5120 B21R3.9705 N#C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 a424668eb7014962dbd6f59f4a9bd958 [0,2,0,0,0,0|2,0,0]=4 5121 B21R3.9705 N#C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 de4c012e2dde5ac7b3570f11532871f8 [0,2,0,0,0,0|1,1,0]=4 5122 B21R3.9705 N#C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 a65dd88f07708ce9a514b7b885945add [0,2,0,0,0,0|1,0,0]=3 5123 B21R3.9705 N#C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 8444dab3449b54d61308dd3b76c9a913 [0,2,0,0,0,0|2,0,0]=4 5124 B21R3.9705 O=CC1CCC(CC1)NCc2cc3ccccc3s2 7721c40c5cb61fb4674a28b01ee88d7d [0,2,0,0,0,0|2,0,0]=4 5125 B21R3.9705 O=CC1CCC(CC1)NCc2nc3ccccc3[nH]2 90570055f8dfab0756f099022f77cd15 [0,2,0,0,0,0|2,0,0]=4 5126 B21R3.9705 O=CC1CCC(CC1)NCc2nc3ccccc3o2 0d02880f81928297b271a1fcebcf44fb [0,2,0,0,0,0|1,1,0]=4 5127 B21R3.9705 O=CC1CCC(CC1)NCc2nc3ccccc3s2 fa83a8e254a75c32a762d7caae475341 [0,2,0,0,0,0|1,0,0]=3 5128 B21R3.9705 O=CC1CCC(CC1)OCc2nc3ccccc3s2 dd5b341d1d5bec46ff515a9db235367e [0,2,0,0,0,0|2,0,0]=4 5129 B21R3.9705 O=CC1CCN(CC1)CSc2nc3ccccc3s2 8a5000ce0c97b09259b6d70761a474be [0,2,0,0,0,0|2,0,0]=4 5130 B21R3.9705 O=C[C@H]1CC[C@@H](CC1)OCc2nc3ccccc3s2 21d0f8c9a1e47de307f7f1bf9ae4d928 [0,2,0,0,0,0|2,0,0]=4 5131 B21R3.9705 O=C[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 61da0def7d01bf0a2c3410f4e1b09b3c [0,2,0,0,0,0|2,0,0]=4 5132 B21R3.9705 OCC1CCC(CC1)CNc2nc3ccccc3s2 a0bcb3e5cb2aec8b8dd045665212ef4a [0,2,0,0,0,0|2,0,0]=4 5133 B21R3.9705 OCC1CCC(CC1)NCc2cc3ccccc3s2 f4f10af1bd6f4418e7548a9d30d1a295 [0,2,0,0,0,0|2,0,0]=4 5134 B21R3.9705 OCC1CCC(CC1)NCc2nc3ccccc3[nH]2 b10c7555e2a7c369cc4816b5b896488e [0,2,0,0,0,0|2,0,0]=4 5135 B21R3.9705 OCC1CCC(CC1)NCc2nc3ccccc3o2 e7004584a2c7a29744b70dcd65fed87c [0,2,0,0,0,0|1,1,0]=4 5136 B21R3.9705 OCC1CCC(CC1)NCc2nc3ccccc3s2 be749270f6abc96dcb7f3fa9eeaa4ca3 [0,2,0,0,0,0|1,0,0]=3 5137 B21R3.9705 OCC1CCN(CC1)CSc2nc3ccccc3s2 a3fa342ea582367043374df2626d5c8f [0,2,0,0,0,0|2,0,0]=4 5138 B21R3.9705 OC[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3s2 47a9b59ac4b2697c14d387a41661f902 [0,2,0,0,0,0|2,0,0]=4 5139 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 816a8a72b7005abeda509281145cbbec [0,2,0,0,0,0|2,0,0]=4 5140 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 50ecc6d76db21c22f5c468bde90a61c1 [0,2,0,0,0,0|2,0,0]=4 5141 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 558deb946ac941275d0d905703a14aee [0,2,0,0,0,0|1,1,0]=4 5142 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 4f2d33bfd9f15d371cf23a0af090be1c [0,2,0,0,0,0|1,0,0]=3 5143 B21R3.9705 OC[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 f070cbeb625f1dc528aa13931eaa725a [0,2,0,0,0,0|2,0,0]=4 5144 B21R3.9705 OC[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 3734ac486cae28f46e29834ee4972e59 [0,2,0,0,0,0|2,0,0]=4 5145 B21R3.9705 OC[C@H]1CC[C@H](CC1)NCc2nc3ccccc3o2 ce394ded123d79cff1e16118096e9cac [0,2,0,0,0,0|1,1,0]=4 5146 B21R3.9705 OC[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 61a0cbc53172b84ad98bb7f62d7a990c [0,2,0,0,0,0|1,0,0]=3 5147 B21R3.198480 CC1(CCC(CC1)NCc2cc3ccccc3s2)C 15678532449cd5a3423f9c6df0eae858 [0,2,0,0,0,0|2,0,0]=4 5148 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)C 6ac25b3b8cef49e7393a454cbc7133d2 [0,2,0,0,0,0|2,0,0]=4 5149 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)O efbc932841dcb1b50d5eac76d86f6999 [0,2,0,0,0,0|2,0,0]=4 5150 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)C c600f4a60e0f0372ebea7c8fc4a6f8be [0,2,0,0,0,0|1,1,0]=4 5151 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)O 889db133bbbf46037d7b23737426f3d4 [0,2,0,0,0,0|1,1,0]=4 5152 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)C 82bf229974c2d39f7c910a104937030d [0,2,0,0,0,0|1,0,0]=3 5153 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)O ce5fd15f14a3ef8661d87b3151b4bcf5 [0,2,0,0,0,0|1,0,0]=3 5154 B21R3.198480 CC1(CCC(CC1)OCc2nc3ccccc3s2)C b1c691813bdf96a67bf6be20d0434f38 [0,2,0,0,0,0|2,0,0]=4 5155 B21R3.198480 CC1(CCC(CO1)NCc2nc3ccccc3s2)C a5cddc1c9fa1076def2591f4b50c800d [0,2,0,0,0,0|2,0,0]=4 5156 B21R3.198480 CC1(CCN(CC1)CSc2nc3ccccc3s2)C 7ad9f23d40e6989d80d7fa11ed8faf95 [0,2,0,0,0,0|2,0,0]=4 5157 B21R3.198480 CC1(CCN(CC1)CSc2nc3ccccc3s2)O 0c1bde63107457fa716847162ded43f1 [0,2,0,0,0,0|2,0,0]=4 5158 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3[nH]2)O 985cbdf7e76a5fdeeb2af3e606341a39 [0,2,0,0,0,0|2,0,0]=4 5159 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3o2)O 19ba4a06fba9dcdee68ba45b71978dc6 [0,2,0,0,0,0|1,1,0]=4 5160 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3s2)O e9457214dbb204e64ccf725189d55dde [0,2,0,0,0,0|1,0,0]=3 5161 B21R3.198480 C[C@@]1(CC[C@H](CC1)NCc2nc3ccccc3[nH]2)O 678979f55a49a883f17485e8e1bac743 [0,2,0,0,0,0|2,0,0]=4 5162 B21R3.198480 C[C@@]1(CC[C@H](CC1)NCc2nc3ccccc3o2)O 33bd2cf7baad21e707fa7a5717bd695f [0,2,0,0,0,0|1,1,0]=4 5163 B21R3.198480 C[C@@]1(CC[C@H](CC1)NCc2nc3ccccc3s2)O 6521a12d5ef5f0c809865c7235c4d53e [0,2,0,0,0,0|1,0,0]=3 5164 B21R3.198480 FC1(CCC(CC1)CNc2nc3ccccc3s2)F 928d0e5cc96b8669600f1419c8918c13 [0,2,0,0,0,0|2,0,0]=4 5165 B21R3.198480 FC1(CCC(CC1)COc2nc3ccccc3s2)F 5e81e98569187839278cc3ea1a1bd087 [0,2,0,0,0,0|1,1,0]=4 5166 B21R3.198480 FC1(CCC(CC1)NCc2cc3ccccc3s2)F d0f0956b2c91426f453bcafc96403653 [0,2,0,0,0,0|2,0,0]=4 5167 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3[nH]2)F 90dc9a3ec33a3969ecc4e4660da0051a [0,2,0,0,0,0|2,0,0]=4 5168 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3o2)F fc0d8fdd47b3a3804858abf1c0597ef9 [0,2,0,0,0,0|1,1,0]=4 5169 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3s2)F 8282e5f3aee93a495a873789c2b320c9 [0,2,0,0,0,0|1,0,0]=3 5170 B21R3.198480 FC1(CCC(CC1)OCc2nc3ccccc3s2)F 78b1f589ce64537cfca904a999eab75c [0,2,0,0,0,0|2,0,0]=4 5171 B21R3.198480 FC1(CCN(CC1)CSc2nc3ccccc3s2)F 2de80ff01d4867c02bae2801e9c25ca8 [0,2,0,0,0,0|2,0,0]=4 5172 B21R3.198480 O=S1(=O)CCC(CC1)NCc2nc3ccccc3s2 be2aa45b8905eb4eda0101c0280fe531 [0,2,0,0,0,0|2,0,0]=4 5173 B21R3.655362 CN1CCC(CC1)(C)NCc2nc3ccccc3s2 3af66477c876985d569d9f0f36cba0f3 [0,2,0,0,0,0|2,0,0]=4 5174 B21R3.16819414 C#CC1(CCCCC1)NCc2cc3ccccc3s2 2ee5783d789bbe32c7f00cc7587b3c2d [0,2,0,0,0,0|2,0,0]=4 5175 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3[nH]2 04797252443454a4886f81d547e6ac81 [0,2,0,0,0,0|2,0,0]=4 5176 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3o2 7c52c544f1594d302724749f869f6847 [0,2,0,0,0,0|1,1,0]=4 5177 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3s2 99b820fa6346191ff7d3423e551b894d [0,2,0,0,0,0|1,0,0]=3 5178 B21R3.16819414 CCC1(CCOCC1)NCc2nc3ccccc3s2 85933e93f9e809b8fb0b5709f68763c8 [0,2,0,0,0,0|2,0,0]=4 5179 B21R3.16819414 N#CC1(CCCCC1)CNc2nc3ccccc3s2 18e3c5ad2c652baf90f11ca9fb8895ae [0,2,0,0,0,0|2,0,0]=4 5180 B21R3.16819414 N#CC1(CCCCC1)COc2nc3ccccc3s2 465388d4f1ff59e5f72913496afc268e [0,2,0,0,0,0|1,1,0]=4 5181 B21R3.16819414 N#CC1(CCCCC1)NCc2cc3ccccc3s2 d720fc068e40609558798e5f1b6dedb5 [0,2,0,0,0,0|2,0,0]=4 5182 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3[nH]2 a73e8541575e96392a23b834b42d6432 [0,2,0,0,0,0|2,0,0]=4 5183 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3o2 8b1716fc1d25d60a8462c17e52d9ca88 [0,2,0,0,0,0|1,1,0]=4 5184 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3s2 97aa7b05579cac2be9f0bf2dc1ded114 [0,2,0,0,0,0|1,0,0]=3 5185 B21R3.16819414 N#CC1(CCCOC1)NCc2nc3ccccc3s2 8f46c31d580d92bc09d0acef6bb370cb [0,2,0,0,0,0|2,0,0]=4 5186 B21R3.16819414 N#CC1(CCOCC1)NCc2nc3ccccc3s2 d23d826059f8ba7a27c89c2e55a4929e [0,2,0,0,0,0|2,0,0]=4 5187 B21R3.16819414 N#CC1(CCSCC1)NCc2nc3ccccc3s2 8ecbb87a3f0a7f7dc17af382e35ab3e0 [0,2,0,0,0,0|2,0,0]=4 5188 B21R3.16819414 OCC1(CCCCC1)NCc2cc3ccccc3s2 b0f461fa6147c86f2ad885b23965af62 [0,2,0,0,0,0|2,0,0]=4 5189 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3[nH]2 7186c074a999a3c100e93ae8aca93e63 [0,2,0,0,0,0|2,0,0]=4 5190 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3o2 9e7cf911489b27dd422d828bfee0e701 [0,2,0,0,0,0|1,1,0]=4 5191 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3s2 d833fbcd7ad646c3b3778ecfa54c3e1e [0,2,0,0,0,0|1,0,0]=3 5192 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 43464d87b04e3b01403af84a86502b1c [0,2,0,0,0,0|2,0,0]=4 5193 B21R3.16819414 OCC1(CCSCC1)NCc2nc3ccccc3s2 500fd118d3db116459d747eb1f0bb83e [0,2,0,0,0,0|2,0,0]=4 5194 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3[nH]2)C 456a16ad06f80e68a30946307daca0cf [0,0,1,1,0,0|2,0,0]=4 5195 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3o2)C 0d0c5e99a543d7b3f45114e283f2aade [0,0,1,1,0,0|1,1,0]=4 5196 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3s2)C 726b0644b112d02be9115c15f99f1c58 [0,0,1,1,0,0|1,0,0]=3 5197 B19R3.17749 C[C@@H]1CC[C@@H](N1Cc2nc3ccccc3[nH]2)C 2e0fa7f81f62393b13eb27d5d6120a36 [0,0,1,1,0,0|2,0,0]=4 5198 B19R3.17749 C[C@@H]1CC[C@@H](N1Cc2nc3ccccc3o2)C c26ab658b729650676386dd3960d33bc [0,0,1,1,0,0|1,1,0]=4 5199 B19R3.17749 C[C@@H]1CC[C@@H](N1Cc2nc3ccccc3s2)C a52a25013a2b2c03b2ff72e75e6fb390 [0,0,1,1,0,0|1,0,0]=3 5200 B19R3.17749 C[C@@H]1CC[C@H](N1Cc2nc3ccccc3[nH]2)C c2701abe284e458e3f835866ff353121 [0,0,1,1,0,0|2,0,0]=4 5201 B19R3.17749 C[C@@H]1CC[C@H](N1Cc2nc3ccccc3o2)C 4a5a3e4d7d8ea95c387904653eeb3aea [0,0,1,1,0,0|1,1,0]=4 5202 B19R3.17749 C[C@@H]1CC[C@H](N1Cc2nc3ccccc3s2)C ee939354c0e2235f5a37c9b8f65b5f51 [0,0,1,1,0,0|1,0,0]=3 5203 B19R3.17749 C[C@H]1CC[C@@H](N1Cc2nc3ccccc3[nH]2)C e9a4752632c75777da748e835d8d1f29 [0,0,1,1,0,0|2,0,0]=4 5204 B19R3.17749 C[C@H]1CC[C@@H](N1Cc2nc3ccccc3o2)C bfb5ba6a571b463e030926a5e3a9d55d [0,0,1,1,0,0|1,1,0]=4 5205 B19R3.17749 C[C@H]1CC[C@@H](N1Cc2nc3ccccc3s2)C 880d91093780dded8ba9c7776c9ec158 [0,0,1,1,0,0|1,0,0]=3 5206 B19R3.131246 COC[C@@H]1C[C@@H]1NCc2nc3ccccc3s2 e32ebe9629a02aff2f00817bc74fe62d [0,0,1,1,0,0|2,0,0]=4 5207 B19R3.131246 COC[C@H]1C[C@@H]1NCc2nc3ccccc3s2 e4b67ff79f127a976c700061bc3b7024 [0,0,1,1,0,0|2,0,0]=4 5208 B19R3.202284 CC(NCc1nc2ccccc2s1)C3COC3 acb6d94c6e02ad8a92a9af9d3b6fed38 [0,0,1,1,0,0|2,0,0]=4 5209 B19R3.202284 C[C@@H](NCc1nc2ccccc2s1)C3COC3 716483bd1d85174e6ecb16206da04d85 [0,0,1,1,0,0|2,0,0]=4 5210 B19R3.202284 C[C@H](NCc1nc2ccccc2s1)C3COC3 84bfc580ca4c2b830bfd74495cd7a8d3 [0,0,1,1,0,0|2,0,0]=4 5211 B19R3.202285 CC(CC1CC1)OCc2nc3ccccc3s2 a2020feeac454c95af4ae70ae36ac8cc [0,0,1,1,0,0|2,0,0]=4 5212 B19R3.298247 CCC1CN(C1)CSc2nc3ccccc3s2 7228cca371dc9c309c9dc9580833beb5 [0,0,1,1,0,0|2,0,0]=4 5213 B19R3.298247 COC1CC(C1)NCc2nc3ccccc3s2 cf429cffff82e6243fb462a52838c355 [0,0,1,1,0,0|2,0,0]=4 5214 B19R3.298247 CO[C@H]1C[C@@H](C1)NCc2nc3ccccc3s2 44640af5a6510b95c1627089678bbe19 [0,0,1,1,0,0|2,0,0]=4 5215 B19R3.298247 CO[C@H]1C[C@H](C1)NCc2nc3ccccc3s2 90dafd5c485129a8fc3bad28aa29f54d [0,0,1,1,0,0|2,0,0]=4 5216 B19R3.298247 OCC1CC(C1)NCc2nc3ccccc3s2 0e42d766fd5184078d58a7ec4ba506df [0,0,1,1,0,0|2,0,0]=4 5217 B19R3.298247 OC[C@H]1C[C@@H](C1)NCc2nc3ccccc3s2 3ab1c5353b6a44811b47b411fe84c222 [0,0,1,1,0,0|2,0,0]=4 5218 B19R3.298247 OC[C@H]1C[C@H](C1)NCc2nc3ccccc3s2 4a0d834b8f84a6b4222d6465c2bd68c7 [0,0,1,1,0,0|2,0,0]=4 5219 B19R3.110084 COCC1CCN1Cc2nc3ccccc3s2 fb0f7429aea8de22ce15140e8fbfc516 [0,0,1,1,0,0|2,0,0]=4 5220 B19R3.110084 COC[C@@H]1CCN1Cc2nc3ccccc3s2 0fbba15a1b149737650a2ad6e45d2f0a [0,0,1,1,0,0|2,0,0]=4 5221 B19R3.110084 COC[C@H]1CCN1Cc2nc3ccccc3s2 3643c4bbf7e2d2aaf5a00234dab15cd5 [0,0,1,1,0,0|2,0,0]=4 5222 B19R3.110084 OCCC1CCN1Cc2nc3ccccc3s2 625886949575a7712913a38cf7461edb [0,0,1,1,0,0|2,0,0]=4 5223 B19R3.209188 CCC(NCc1cc2ccccc2s1)C3CC3 3a8f7501ad217bc935c6f643c98ff019 [0,0,1,1,0,0|2,0,0]=4 5224 B19R3.209188 CCC(NCc1nc2ccccc2[nH]1)C3CC3 29b1686fafbcad884fb53925e9101250 [0,0,1,1,0,0|2,0,0]=4 5225 B19R3.209188 CCC(NCc1nc2ccccc2o1)C3CC3 0d5db3ede632b75cd06af1e57c3a703f [0,0,1,1,0,0|1,1,0]=4 5226 B19R3.209188 CCC(NCc1nc2ccccc2s1)C3CC3 a0769f71f3d3577bf5b79c846cada291 [0,0,1,1,0,0|1,0,0]=3 5227 B19R3.209188 CCC(OCc1nc2ccccc2s1)C3CC3 57e75d8c8541cd765c8c15792809029b [0,0,1,1,0,0|2,0,0]=4 5228 B19R3.209188 OCC(NCc1nc2ccccc2s1)C3CC3 b3095c6d3905733696fe1e53d62327ef [0,0,1,1,0,0|2,0,0]=4 5229 B19R3.209188 OC[C@@H](NCc1nc2ccccc2s1)C3CC3 671387673f1d1a12df671242f986a12f [0,0,1,1,0,0|2,0,0]=4 5230 B19R3.209188 OC[C@H](NCc1nc2ccccc2s1)C3CC3 f0a20f11f32e50358756e660b8673eb1 [0,0,1,1,0,0|2,0,0]=4 5231 B19R3.274609 CCC1CCCN1Cc2cc3ccccc3s2 171a7ef49960664e4f9142c418faa16e [0,0,1,1,0,0|2,0,0]=4 5232 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3[nH]2 0783a14ee509ee510162a2bae100a5b1 [0,0,1,1,0,0|2,0,0]=4 5233 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3o2 fb48ad80feafdecae1640ae2583ef2f9 [0,0,1,1,0,0|1,1,0]=4 5234 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3s2 2b72c021e65159977d4c131da5994b4a [0,0,1,1,0,0|1,0,0]=3 5235 B19R3.274609 CC[C@@H]1CCCN1Cc2cc3ccccc3s2 33c1beb5cbf888965210a41e0b249db9 [0,0,1,1,0,0|2,0,0]=4 5236 B19R3.274609 CC[C@@H]1CCCN1Cc2nc3ccccc3[nH]2 f6a6f5f4710b8cdcbb901acc14bdbefa [0,0,1,1,0,0|2,0,0]=4 5237 B19R3.274609 CC[C@@H]1CCCN1Cc2nc3ccccc3o2 b578e747895d1b61e2358f7d0bd06e8a [0,0,1,1,0,0|1,1,0]=4 5238 B19R3.274609 CC[C@@H]1CCCN1Cc2nc3ccccc3s2 39bb398a213ee907499c5bce628f3f82 [0,0,1,1,0,0|1,0,0]=3 5239 B19R3.274609 COC1CCCN1Cc2nc3ccccc3s2 a4c4081bb1abad9a59b79884f9dac713 [0,0,1,1,0,0|2,0,0]=4 5240 B19R3.274609 FC[C@@H]1CCCN1Cc2nc3ccccc3s2 1feeb2ee6ba6c4af185362d7b35bdda5 [0,0,1,1,0,0|2,0,0]=4 5241 B19R3.274609 FC[C@H]1CCCN1Cc2nc3ccccc3s2 4ea07b803910f289665b222140ab7460 [0,0,1,1,0,0|2,0,0]=4 5242 B19R3.274609 OCC1CCCN1Cc2nc3ccccc3s2 20502825bd5c136e5092141432e3d8ed [0,0,1,1,0,0|2,0,0]=4 5243 B19R3.274609 OC[C@@H]1CCCN1Cc2nc3ccccc3s2 2120061d4cb898cd38c49f15c66a7fed [0,0,1,1,0,0|2,0,0]=4 5244 B19R3.274609 OC[C@H]1CCCN1Cc2nc3ccccc3s2 c092ee14ea6a9c48c810317ebbad4a79 [0,0,1,1,0,0|2,0,0]=4 5245 B19R3.304177 CCC1CCN1CSc2nc3ccccc3s2 a3e3d3968a6155dab2590b0a1674d8f3 [0,0,1,1,0,0|2,0,0]=4 5246 B19R3.304177 COC1CCC1NCc2nc3ccccc3s2 fb4ac5c7f91cc9e90295237c17a172b2 [0,0,1,1,0,0|2,0,0]=4 5247 B19R3.304177 CO[C@@H]1CC[C@@H]1NCc2nc3ccccc3s2 691fc61710928efa2720a4e6f77e87e7 [0,0,1,1,0,0|2,0,0]=4 5248 B19R3.304177 CO[C@@H]1CC[C@H]1NCc2nc3ccccc3s2 bb781fd8ea1123096d8ead0f8ec82e8a [0,0,1,1,0,0|2,0,0]=4 5249 B19R3.304177 CO[C@H]1CC[C@@H]1NCc2nc3ccccc3s2 6ad9ec28d5f9253a13c493b7b7b3a262 [0,0,1,1,0,0|2,0,0]=4 5250 B19R3.304177 CO[C@H]1CC[C@H]1NCc2nc3ccccc3s2 a75484aff36e0169ed8b1ec5af582f68 [0,0,1,1,0,0|2,0,0]=4 5251 B19R3.726854 CCCC1(CC1)NCc2cc3ccccc3s2 4fc7a10e4f952df57f372eaed46168d3 [0,0,1,1,0,0|2,0,0]=4 5252 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3[nH]2 53f3c4620cdbbd1f1ee6ac47d88e88ef [0,0,1,1,0,0|2,0,0]=4 5253 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3o2 e6fdea2c045c833ef783ab8d8cdea6f3 [0,0,1,1,0,0|1,1,0]=4 5254 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3s2 aafbcb0c0ff28ec322397b883523c1f0 [0,0,1,1,0,0|1,0,0]=3 5255 B19R3.726854 COCC1(CC1)NCc2nc3ccccc3s2 533d940056b50bba8339c5a6f6c7c573 [0,0,1,1,0,0|2,0,0]=4 5256 B19R3.726854 OCCC1(CC1)NCc2nc3ccccc3s2 d85ee0c4e0cd4f8015c40fea312aaa57 [0,0,1,1,0,0|2,0,0]=4 5257 B19R3.5285980 CCC1(CCC1)NCc2cc3ccccc3s2 91f253b3027724bc08dabab951ce6698 [0,0,1,1,0,0|2,0,0]=4 5258 B19R3.5285980 CCC1(CCC1)NCc2nc3ccccc3[nH]2 f493a86581d2a70399c1faef86058b9c [0,0,1,1,0,0|2,0,0]=4 5259 B19R3.5285980 CCC1(CCC1)NCc2nc3ccccc3o2 9ab0937e0f20b67581e7da254495beda [0,0,1,1,0,0|1,1,0]=4 5260 B19R3.5285980 CCC1(CCC1)NCc2nc3ccccc3s2 cab9efcb0c6aad091189b997ff21df73 [0,0,1,1,0,0|1,0,0]=3 5261 B19R3.5285980 CCC1(COC1)NCc2nc3ccccc3s2 8af55784d68cfd0ce06984aa759871b4 [0,0,1,1,0,0|2,0,0]=4 5262 B19R3.5285980 OCC1(CCC1)NCc2nc3ccccc3s2 695be4eff22892115e3b200d10ed55c6 [0,0,1,1,0,0|2,0,0]=4 5263 B19R3.19192 c1ccc2[nH]c(nc2c1)CNCC3CCCC3 2399b83529979f90de84d33d38e9bb42 [0,0,1,1,0,0|2,0,0]=4 5264 B19R3.19192 c1ccc2oc(nc2c1)CNCC3CCCC3 0796fbff459c078c0fef6db15030d504 [0,0,1,1,0,0|1,1,0]=4 5265 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 dff6cbfb74674786f0bc576577746be4 [0,0,1,1,0,0|2,0,0]=4 5266 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCCC3 2bb2110f1d0972d7cddae915c6921fb2 [0,0,1,1,0,0|1,0,0]=3 5267 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCCO3 1f37aacd84c4be4f740f1d2ca238ee94 [0,0,1,1,0,0|2,0,0]=4 5268 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCOC3 afec71bc0aeb9fe4d0ea0becf4736191 [0,0,1,1,0,0|2,0,0]=4 5269 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@@H]3CCCO3 e0398c2861668cafdb32dea49dac3b05 [0,0,1,1,0,0|2,0,0]=4 5270 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@@H]3CCOC3 9ae4584fad485359bc84c00fc969a2db [0,0,1,1,0,0|2,0,0]=4 5271 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@H]3CCCO3 bdd12582091e9380c58ff83e76ea283a [0,0,1,1,0,0|2,0,0]=4 5272 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@H]3CCOC3 8edd1c0835d7ab00f732d41dcad33e5a [0,0,1,1,0,0|2,0,0]=4 5273 B19R3.19192 c1ccc2sc(nc2c1)COCC3CCCC3 5695668eeab0409c522173efc6ccccfd [0,0,1,1,0,0|2,0,0]=4 5274 B19R3.19192 c1ccc2sc(nc2c1)NCCC3CCCC3 8594ffda5507153d39aeef2455611008 [0,0,1,1,0,0|2,0,0]=4 5275 B19R3.19192 c1ccc2sc(nc2c1)OCCC3CCCC3 5f4f4ca3e83249a2ada2ad56187b1a2f [0,0,1,1,0,0|1,1,0]=4 5276 B19R3.19192 c1ccc2sc(nc2c1)SCNC3CCCC3 cd2f9922a132d66e88db0fc12557fcfb [0,0,1,1,0,0|2,0,0]=4 5277 B19R3.19192 c1ccc2sc(nc2c1)SCOC3CCCC3 0d02f099b8071c0dcca4e4977702d217 [0,0,1,1,0,0|2,0,0]=4 5278 B19R3.75678 CC1CC1COCSc2nc3ccccc3s2 3b206e8bc91ce3d4d01c3f3df98cfd91 [0,0,1,1,0,0|2,0,0]=4 5279 B19R3.75678 C[C@@H]1C[C@H]1COCSc2nc3ccccc3s2 1c85c3a24862da64fe19b9b37d3b05c1 [0,0,1,1,0,0|2,0,0]=4 5280 B19R3.75678 C[C@H]1C[C@@H]1COCSc2nc3ccccc3s2 a297e6353f0219d1c252e45dc203aa3e [0,0,1,1,0,0|2,0,0]=4 5281 B19R3.75678 C[C@H]1C[C@H]1COCSc2nc3ccccc3s2 0d1ec8c753ba9d107581426829cedf7e [0,0,1,1,0,0|2,0,0]=4 5282 B19R3.154552 CN1CCC1CNCc2nc3ccccc3s2 b9c160b4d5d2e8913e834d3c9917b435 [0,0,1,1,0,0|2,0,0]=4 5283 B19R3.154552 C[C@@H]1CC[C@@H]1NCSc2nc3ccccc3s2 0f37041581b30462f85ca39bb7add186 [0,0,1,1,0,0|2,0,0]=4 5284 B19R3.154552 C[C@@H]1CC[C@H]1NCSc2nc3ccccc3s2 bf73b3559236dd31ed99a6f00001ead8 [0,0,1,1,0,0|2,0,0]=4 5285 B19R3.292037 OCC1CC1CNCc2nc3ccccc3s2 d02e80a035a8339351c20839ddee49b7 [0,0,1,1,0,0|2,0,0]=4 5286 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 85d3fa02408f783899f3ebe03f48fa23 [0,0,1,1,0,0|2,0,0]=4 5287 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCCCC3 9b03c3efa7b004037b4e195159563e3c [0,0,1,1,0,0|1,1,0]=4 5288 B19R3.1671973 c1ccc2sc(cc2c1)CN3CCCCCC3 e8ffdf541edd9c0a6d2c5c1570de91d2 [0,0,1,1,0,0|2,0,0]=4 5289 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 c5f76ca2ddf5339b53d70d3ad3563acf [0,0,1,1,0,0|1,0,0]=3 5290 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 06497c0c5a824dda24b36432fa4ee0d6 [0,0,1,1,0,0|2,0,0]=4 5291 B19R3.1776376 c1ccc2[nH]c(nc2c1)CNCCC3CCC3 5a648b01730a28d4d1989b257fb62765 [0,0,1,1,0,0|2,0,0]=4 5292 B19R3.1776376 c1ccc2oc(nc2c1)CNCCC3CCC3 f18eede459522022c584be202c1fa7c7 [0,0,1,1,0,0|1,1,0]=4 5293 B19R3.1776376 c1ccc2sc(cc2c1)CNCCC3CCC3 5af7726a6ac9eb713ea6d63b139d5a6d [0,0,1,1,0,0|2,0,0]=4 5294 B19R3.1776376 c1ccc2sc(nc2c1)CNCCC3CCC3 01cad771934664520a88c9542bd21b58 [0,0,1,1,0,0|1,0,0]=3 5295 B19R3.1776376 c1ccc2sc(nc2c1)CNCCC3CCO3 920a0060ec978bff15b8b479c18e0437 [0,0,1,1,0,0|2,0,0]=4 5296 B19R3.1776376 c1ccc2sc(nc2c1)CNCCC3COC3 f63a765ab55988a740731d3fa17fa1bb [0,0,1,1,0,0|2,0,0]=4 5297 B19R3.1776376 c1ccc2sc(nc2c1)CNCCN3CCC3 6d0dd51841747a92ec7ae9f57f4a2667 [0,0,1,1,0,0|2,0,0]=4 5298 B19R3.1776376 c1ccc2sc(nc2c1)CNCC[C@@H]3CCO3 4368b0636106c70421a9e069fa761713 [0,0,1,1,0,0|2,0,0]=4 5299 B19R3.1776376 c1ccc2sc(nc2c1)COCCC3CCC3 aad19187a5727ce9329627f811fd6e6d [0,0,1,1,0,0|2,0,0]=4 5300 B19R3.1776376 c1ccc2sc(nc2c1)SCCCN3CCC3 472c337c5d4b10b957ceff37bde2df4d [0,0,1,1,0,0|2,0,0]=4 5301 B19R3.1776376 c1ccc2sc(nc2c1)SCCOC3CCC3 8afcda0cd0e2d8a7f73525dbacd825a9 [0,0,1,1,0,0|2,0,0]=4 5302 B19R3.1776376 c1ccc2sc(nc2c1)SCOCC3CCC3 4311f854cf99a1189169a335b6e0612a [0,0,1,1,0,0|2,0,0]=4 5303 B19R3.1776377 c1ccc2sc(nc2c1)CNCCOC3CC3 8acd6b6bc0eaf76568a959b07656701d [0,0,1,1,0,0|2,0,0]=4 5304 B19R3.1776377 c1ccc2sc(nc2c1)COCCCC3CC3 ca7f71a0ef94d62841cf223a530aafca [0,0,1,1,0,0|2,0,0]=4 5305 B19R3.1776377 c1ccc2sc(nc2c1)SCCCNC3CC3 f5cbdff1f90803f83a7598f66b6acbec [0,0,1,1,0,0|2,0,0]=4 5306 B19R3.1776377 c1ccc2sc(nc2c1)SCCCOC3CC3 64b43f53d20d80aee0240929c7d8d469 [0,0,1,1,0,0|2,0,0]=4 5307 B19R3.1776377 c1ccc2sc(nc2c1)SCCOCC3CC3 197f85c7f592e8dac9f74d6860dd0263 [0,0,1,1,0,0|2,0,0]=4 5308 B19R3.1776377 c1ccc2sc(nc2c1)SCNCCC3CC3 886f3b46c45ad9e7fc9363327e3476dc [0,0,1,1,0,0|2,0,0]=4 5309 B19R3.1776377 c1ccc2sc(nc2c1)SCOCCC3CC3 6ef79714cc188eab1a3fab67b308043c [0,0,1,1,0,0|2,0,0]=4 5310 B19R4.3861590 c1ccc2[nH]c(nc2c1)CN3C4C3CCC4 35001d8a89416b0160a2b9eba3d5cccc [0,0,0,1,1,0|2,0,0]=4 5311 B19R4.3861590 c1ccc2oc(nc2c1)CN3C4C3CCC4 bbd39538fe0e9f1200116bc97eb6496d [0,0,0,1,1,0|1,1,0]=4 5312 B19R4.3861590 c1ccc2sc(cc2c1)CN3C4C3CCC4 a6a8264bb9b4a4a7312469b6456fc542 [0,0,0,1,1,0|2,0,0]=4 5313 B19R4.3861590 c1ccc2sc(nc2c1)CN3C4C3CCC4 c6af78461c67f2c186f544d02786c02a [0,0,0,1,1,0|1,0,0]=3 5314 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 6ca5cd5494ab6411aba75aca9c3451c9 [0,0,0,1,1,0|2,0,0]=4 5315 B19R4.3060439 c1ccc2sc(nc2c1)CN3CCC4C3C4 45d445d1fd06533f3d26f9cf0262b867 [0,0,0,1,1,0|2,0,0]=4 5316 B21R4.64619 c1ccc2cc(ncc2c1)CN3C4C3CCCC4 0f00d33a443817aa9aca6cfa011f0795 [0,0,0,1,0,1|2,0,0]=4 5317 B21R4.64619 c1ccc2nc(ccc2c1)CN3C4C3CCCC4 85b548206f980d4c863bb44357577319 [0,0,0,1,0,1|2,0,0]=4 5318 B21R4.64619 c1ccc2nc(cnc2c1)CN3C4C3CCCC4 fcef730b1801138853d44934b730a17c [0,0,0,1,0,1|2,0,0]=4 5319 B21R4.64619 c1ccc2nc(ncc2c1)CN3C4C3CCCC4 39b516b29017a759e87d590a90af7419 [0,0,0,1,0,1|2,0,0]=4 5320 B21R4.64619 c1ccc2ncc(cc2c1)CN3C4C3CCCC4 12d20e593a8e37d2e195b1a396f0a9e2 [0,0,0,1,0,1|2,0,0]=4 5321 B21R4.14522055 c1ccc2cc(ncc2c1)CN3C4CCC3CC4 376d9f194f5c95fe5050fc83554fc617 [0,0,0,1,0,1|2,0,0]=4 5322 B21R4.14522055 c1ccc2cc(ncc2c1)CN3[C@H]4CC[C@@H]3CC4 4386633d4a615d8edb190a78df580ba9 [0,0,0,1,0,1|2,0,0]=4 5323 B21R4.14522055 c1ccc2nc(ccc2c1)CN3C4CCC3CC4 245ae4b24fa60d3771ae289077d4f674 [0,0,0,1,0,1|2,0,0]=4 5324 B21R4.14522055 c1ccc2nc(ccc2c1)CN3[C@H]4CC[C@@H]3CC4 34eb8feb9d40af017dc0a6d34aa535aa [0,0,0,1,0,1|2,0,0]=4 5325 B21R4.14522055 c1ccc2nc(cnc2c1)CN3C4CCC3CC4 45c7c1798b474d96d1baad547d24313e [0,0,0,1,0,1|2,0,0]=4 5326 B21R4.14522055 c1ccc2nc(cnc2c1)CN3[C@H]4CC[C@@H]3CC4 5e887edc590c96dc95aa32cecb15f65d [0,0,0,1,0,1|2,0,0]=4 5327 B21R4.14522055 c1ccc2nc(ncc2c1)CN3C4CCC3CC4 55c287b2c85a4015d855ac7da0423c3d [0,0,0,1,0,1|2,0,0]=4 5328 B21R4.14522055 c1ccc2nc(ncc2c1)CN3[C@H]4CC[C@@H]3CC4 f03f02c28d9f02df911b5e33169dd0bc [0,0,0,1,0,1|2,0,0]=4 5329 B21R4.14522055 c1ccc2ncc(cc2c1)CN3C4CCC3CC4 e2c3c8c8c435a32f38a224417998200e [0,0,0,1,0,1|2,0,0]=4 5330 B21R4.14522055 c1ccc2ncc(cc2c1)CN3[C@H]4CC[C@@H]3CC4 6ab2fe20724f371a6d79e5bba7a84df8 [0,0,0,1,0,1|2,0,0]=4 5331 B21R4.64809 c1ccc2[nH]c(nc2c1)CCN3C4C3CCCC4 adf0747ffd5ac644285ac6103423e0b4 [0,0,0,1,0,1|2,0,0]=4 5332 B21R4.64809 c1ccc2sc(cc2c1)CCN3C4C3CCCC4 5d4c8d7f14f85c9ac8a59878e4450b49 [0,0,0,1,0,1|2,0,0]=4 5333 B21R4.64809 c1ccc2sc(nc2c1)SCN3C4C3CCCC4 e112ef36f2a29f3fc89b4bd200edadc3 [0,0,0,1,0,1|0,0,0]=2 5334 B21R4.922922 c1ccc2[nH]c(nc2c1)CN3CC4C3CCCC4 e2fe512467e4bbbf04043bdbcd39bb8f [0,0,0,1,0,1|2,0,0]=4 5335 B21R4.922922 c1ccc2[nH]c(nc2c1)CN3C[C@@H]4[C@H]3CCCC4 e910c46824354e9d21dea5aab3fed81a [0,0,0,1,0,1|2,0,0]=4 5336 B21R4.922922 c1ccc2oc(nc2c1)CN3CC4C3CCCC4 6ee13510f5312a300635fa6a88c86cbf [0,0,0,1,0,1|1,1,0]=4 5337 B21R4.922922 c1ccc2oc(nc2c1)CN3C[C@@H]4[C@H]3CCCC4 8399119005ebdf4a2521bde9fd37452d [0,0,0,1,0,1|1,1,0]=4 5338 B21R4.922922 c1ccc2sc(cc2c1)CN3CC4C3CCCC4 889c4652ac6b9fd042ed92535ec2d233 [0,0,0,1,0,1|2,0,0]=4 5339 B21R4.922922 c1ccc2sc(cc2c1)CN3C[C@@H]4[C@H]3CCCC4 9f5599bcadf98bc99b1086dc387c3bc3 [0,0,0,1,0,1|2,0,0]=4 5340 B21R4.922922 c1ccc2sc(nc2c1)CN3CC4C3CCCC4 55b2ce93b8da3c898930c1a100be5e59 [0,0,0,1,0,1|1,0,0]=3 5341 B21R4.922922 c1ccc2sc(nc2c1)CN3C[C@@H]4[C@H]3CCCC4 7fbf08b3d421b7aaa9ac6cebc9258393 [0,0,0,1,0,1|1,0,0]=3 5342 B21R4.2261458 c1ccc2sc(nc2c1)SCOC3CC4CC4C3 f6c255666552e152feb08b8054036640 [0,0,0,1,0,1|1,0,0]=3 5343 B21R4.2261458 c1ccc2sc(nc2c1)SCOC3C[C@@H]4C[C@@H]4C3 fe228c0bdc2b353c7a0144f7a157f876 [0,0,0,1,0,1|1,0,0]=3 5344 B21R4.2261458 c1ccc2sc(nc2c1)SCO[C@@H]3C[C@@H]4C[C@@H]4C3 bb0866dabb97dc903a215499f94c4673 [0,0,0,1,0,1|1,0,0]=3 5345 B21R4.2261458 c1ccc2sc(nc2c1)SCO[C@H]3C[C@@H]4C[C@@H]4C3 2570c3a6b6b993e887c7d6a9aaef6320 [0,0,0,1,0,1|1,0,0]=3 5346 B21R4.11089325 c1ccc2[nH]c(nc2c1)CCN3C4CCC3CC4 94872109d483345814d8f0a479cfe8aa [0,0,0,1,0,1|2,0,0]=4 5347 B21R4.11089325 c1ccc2[nH]c(nc2c1)CCN3[C@H]4CC[C@@H]3CC4 1d5e7a75a5efb661a64137c8ad91df10 [0,0,0,1,0,1|2,0,0]=4 5348 B21R4.11089325 c1ccc2[nH]c(nc2c1)CNC3C4CCC3CC4 f4067b230d68dec051c6777e49120a72 [0,0,0,1,0,1|2,0,0]=4 5349 B21R4.11089325 c1ccc2oc(nc2c1)CNC3C4CCC3CC4 a57f8be106b3a50631526187b7e27e63 [0,0,0,1,0,1|1,1,0]=4 5350 B21R4.11089325 c1ccc2sc(cc2c1)CCN3C4CCC3CC4 c6a0fd33cf32d6c33056db62a0840108 [0,0,0,1,0,1|2,0,0]=4 5351 B21R4.11089325 c1ccc2sc(cc2c1)CCN3[C@H]4CC[C@@H]3CC4 b61d815ef0c5d7ab79b54e4f68c5a602 [0,0,0,1,0,1|2,0,0]=4 5352 B21R4.11089325 c1ccc2sc(nc2c1)SCN3C4CCC3CC4 ef3f441c7e9f2cf1c100d7ef62626798 [0,0,0,1,0,1|0,0,0]=2 5353 B21R4.11089325 c1ccc2sc(nc2c1)SCN3[C@H]4CC[C@@H]3CC4 633d5998fafc80276a8aec2686dc04bb [0,0,0,1,0,1|0,0,0]=2 5354 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3CC4CCC3CC4 d9cec6366788e3fa27403a8f7b6cd99a [0,0,0,1,0,1|2,0,0]=4 5355 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3C[C@H]4CC[C@@H]3CC4 54e8f3c1095485c0deef166cb4ed41eb [0,0,0,1,0,1|2,0,0]=4 5356 B21R4.14529191 c1ccc2oc(nc2c1)CN3CC4CCC3CC4 ae5177dfabb4b55c313cb6494bf175c3 [0,0,0,1,0,1|1,1,0]=4 5357 B21R4.14529191 c1ccc2oc(nc2c1)CN3C[C@H]4CC[C@@H]3CC4 82bd0931a81ddf94f8f5f4d6297f985d [0,0,0,1,0,1|1,1,0]=4 5358 B21R4.14529191 c1ccc2sc(nc2c1)CN3CC4CCC3CC4 85da1cba63f2ea55be3bbda3fad0f70e [0,0,0,1,0,1|1,0,0]=3 5359 B21R4.14529191 c1ccc2sc(nc2c1)CN3C[C@H]4CC[C@@H]3CC4 8034739ad8106a37555cc4f02bcfa500 [0,0,0,1,0,1|1,0,0]=3 5360 B21R4.14529208 c1ccc2sc(nc2c1)SCOC3CCC4C3C4 6275a6ac433adf63259d6f87c51169fe [0,0,0,1,0,1|1,0,0]=3 5361 B21R4.14529208 c1ccc2sc(nc2c1)SCO[C@@H]3CC[C@@H]4[C@H]3C4 c33b1371aa297cc774044c0141f65f27 [0,0,0,1,0,1|1,0,0]=3 5362 B21R4.84951952 c1ccc2[nH]c(nc2c1)CN3CC4CCCC3C4 54eb575ad6b83faad0de3e7005ce450b [0,0,0,1,0,1|2,0,0]=4 5363 B21R4.84951952 c1ccc2oc(nc2c1)CN3CC4CCCC3C4 e4d71a90f6f29ad1a724fd9b1f5c189a [0,0,0,1,0,1|1,1,0]=4 5364 B21R4.84951952 c1ccc2sc(cc2c1)CN3CC4CCCC3C4 ad3bb3aa301f21ea254b2601e17d9a80 [0,0,0,1,0,1|2,0,0]=4 5365 B21R4.84951952 c1ccc2sc(nc2c1)CN3CC4CCCC3C4 8ca769aca0e48ecbdfbd518123352c11 [0,0,0,1,0,1|1,0,0]=3 5366 B21R4.84951980 c1ccc2sc(nc2c1)SCN3C4COCC3C4 3a031e8da1d81b06afdaf7f6bca1383e [0,0,0,1,0,1|1,0,0]=3 5367 B21R4.1937990 c1ccc2[nH]c(nc2c1)CN3C4CCCCC3C4 053026ba64e3d686f34720926a78e338 [0,0,0,1,0,1|2,0,0]=4 5368 B21R4.1937990 c1ccc2oc(nc2c1)CN3C4CCCCC3C4 713346649163411ed66169d5b8660878 [0,0,0,1,0,1|1,1,0]=4 5369 B21R4.1937990 c1ccc2sc(cc2c1)CN3C4CCCCC3C4 26277b67f526827c65479838ac7f14c2 [0,0,0,1,0,1|2,0,0]=4 5370 B21R4.1937990 c1ccc2sc(nc2c1)CN3C4CCCCC3C4 76c2495d7b5963acea5a9a0d2f02d67d [0,0,0,1,0,1|1,0,0]=3 5371 B21R4.2261454 c1ccc2[nH]c(nc2c1)CNC3CCC4CC4C3 431b04120e265dbc59cd6fdba67fcd91 [0,0,0,1,0,1|2,0,0]=4 5372 B21R4.2261454 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCC4CC4C3 72e836f35926e8bf94eb5ab247e9c96b [0,0,0,1,0,1|2,0,0]=4 5373 B21R4.2261454 c1ccc2[nH]c(nc2c1)CN[C@H]3CCC4CC4C3 edbf83f17004fd175fe9a91ca37d8b84 [0,0,0,1,0,1|2,0,0]=4 5374 B21R4.2261454 c1ccc2oc(nc2c1)CNC3CCC4CC4C3 f28a45a9d03973966be19bd28cb2f551 [0,0,0,1,0,1|1,1,0]=4 5375 B21R4.2261454 c1ccc2oc(nc2c1)CN[C@@H]3CCC4CC4C3 c7ff38a69b7f22feea67e0033e52d5a2 [0,0,0,1,0,1|1,1,0]=4 5376 B21R4.2261454 c1ccc2oc(nc2c1)CN[C@H]3CCC4CC4C3 88a25db29539f98c333b47bfcf1212f7 [0,0,0,1,0,1|1,1,0]=4 5377 B21R4.2261454 c1ccc2sc(nc2c1)CNC3CCC4CC4C3 2cb29ebbf5c585489a0cba4378a76d7a [0,0,0,1,0,1|1,0,0]=3 5378 B21R4.2261454 c1ccc2sc(nc2c1)CN[C@@H]3CCC4CC4C3 d2b15691efdbda20128ce2650c71ebe8 [0,0,0,1,0,1|1,0,0]=3 5379 B21R4.2261454 c1ccc2sc(nc2c1)CN[C@H]3CCC4CC4C3 222985baa8d88dba9d3ffb95ad1d08d8 [0,0,0,1,0,1|1,0,0]=3 5380 B21R4.2261454 c1ccc2sc(nc2c1)SCN3CCC4CC4C3 98d99e473dd907fa60bf9fa7efc2602d [0,0,0,1,0,1|2,0,0]=4 5381 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3C4CCC3COC4 702ed9e3b3562c17ebf80557565aeee1 [0,0,0,1,0,1|2,0,0]=4 5382 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3C4CCCC3CC4 eb02e9c7108ee2d7e8edcbb8f8c8a246 [0,0,0,1,0,1|2,0,0]=4 5383 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3[C@@H]4CCC[C@H]3CC4 87f0f597ce53c99dc096a746b7c805fc [0,0,0,1,0,1|2,0,0]=4 5384 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3[C@@H]4CC[C@H]3COC4 f1b0a28d8b806153ea8c5f079cad7483 [0,0,0,1,0,1|2,0,0]=4 5385 B21R4.14529190 c1ccc2oc(nc2c1)CN3C4CCC3COC4 eb5f80d3f23fa7ae9675faaab3a0de02 [0,0,0,1,0,1|1,1,0]=4 5386 B21R4.14529190 c1ccc2oc(nc2c1)CN3C4CCCC3CC4 fcf1d3e7158c0c070bfe66424661b230 [0,0,0,1,0,1|1,1,0]=4 5387 B21R4.14529190 c1ccc2oc(nc2c1)CN3[C@@H]4CCC[C@H]3CC4 974bb4061bd7e0552f3bf7f86d1406f5 [0,0,0,1,0,1|1,1,0]=4 5388 B21R4.14529190 c1ccc2oc(nc2c1)CN3[C@@H]4CC[C@H]3COC4 8d28de9fd1c66afd706370ef0254907e [0,0,0,1,0,1|1,1,0]=4 5389 B21R4.14529190 c1ccc2sc(cc2c1)CN3C4CCC3COC4 f81e9729c144ad792a7af1d463bcd5fe [0,0,0,1,0,1|2,0,0]=4 5390 B21R4.14529190 c1ccc2sc(cc2c1)CN3C4CCCC3CC4 61c28c465add833ffbebffdf4a506487 [0,0,0,1,0,1|2,0,0]=4 5391 B21R4.14529190 c1ccc2sc(cc2c1)CN3[C@@H]4CCC[C@H]3CC4 0101f07b9c0ea1df38dc3fe9df86ff6e [0,0,0,1,0,1|2,0,0]=4 5392 B21R4.14529190 c1ccc2sc(cc2c1)CN3[C@@H]4CC[C@H]3COC4 ee1a2c16013252db07b06155ed54685e [0,0,0,1,0,1|2,0,0]=4 5393 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCC3COC4 16fea5f87c9dea99de38712d1dab9c40 [0,0,0,1,0,1|1,0,0]=3 5394 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCCC3CC4 bb9290f4732caa7d5a96d7546340deed [0,0,0,1,0,1|1,0,0]=3 5395 B21R4.14529190 c1ccc2sc(nc2c1)CN3[C@@H]4CCC[C@H]3CC4 4d8c3b28c6d67a3acc901ea8ed50b971 [0,0,0,1,0,1|1,0,0]=3 5396 B21R4.14529190 c1ccc2sc(nc2c1)CN3[C@@H]4CC[C@H]3COC4 33fb4a514b7b6755aca8bbece632e8de [0,0,0,1,0,1|1,0,0]=3 5397 B21R4.14529205 c1ccc2sc(nc2c1)SCN3CCOC4C3C4 9318648edccb8d1f4dc0bc3043d8cdfb [0,0,0,1,0,1|2,0,0]=4 5398 B21R4.336 Clc1c(sc2c1cccc2)CN3C4C3CCCC4 e1f48605bf93b2d64384291e4fb1b135 [0,1,0,1,0,0|2,0,0]=4 5399 B21R4.336 Cn1c(nc2c1cccc2)CN3C4C3CCCC4 d0fcd093234aee92aaf16a11d2eb8ccc [0,1,0,1,0,0|2,0,0]=4 5400 B21R4.308762 Clc1c(sc2c1cccc2)CN3C4CCC3CC4 d379dfbbcf0d4fe016f470f05557da65 [0,1,0,1,0,0|2,0,0]=4 5401 B21R4.308762 Clc1c(sc2c1cccc2)CN3[C@H]4CC[C@@H]3CC4 d99f557afa127fd72464b5d695cb7ed0 [0,1,0,1,0,0|2,0,0]=4 5402 B21R4.308762 Cn1c(nc2c1cccc2)CN3C4CCC3CC4 a7bf0dd00b41e405f78f80b327ac089d [0,1,0,1,0,0|2,0,0]=4 5403 B21R4.308762 Cn1c(nc2c1cccc2)CN3[C@H]4CC[C@@H]3CC4 9fc09808a85afe7fea54e60edfa9a16e [0,1,0,1,0,0|2,0,0]=4 5404 B21R4.3763847 CN1CC2CC(C1)N2Cc3nc4ccccc4s3 4df8da002770c90cf76456c204e01cdc [0,1,0,1,0,0|2,0,0]=4 5405 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3CC4CCC3C4 698b8f82e4a9a2c411a48eeb97550fd7 [0,1,0,1,0,0|2,0,0]=4 5406 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3C[C@@H]4CC[C@H]3C4 967d93bd8edaa10744bcb150d33ac88c [0,1,0,1,0,0|2,0,0]=4 5407 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3C[C@H]4CC[C@@H]3C4 63e0ed94a3d26f44f4bc3c95e944e555 [0,1,0,1,0,0|2,0,0]=4 5408 B21R4.14529209 c1ccc2[nH]c(nc2c1)CN[C@@H]3C[C@H]4CC[C@@H]3C4 4899f095f4ad906cab6810271727fec6 [0,1,0,1,0,0|2,0,0]=4 5409 B21R4.14529209 c1ccc2[nH]c(nc2c1)CN[C@H]3C[C@@H]4CC[C@H]3C4 d12c5a9c51c45497970716989a591f6f [0,1,0,1,0,0|2,0,0]=4 5410 B21R4.14529209 c1ccc2[nH]c(nc2c1)CN[C@H]3C[C@H]4CC[C@@H]3C4 55bc7372c18b89158e6e6f14cd2729f5 [0,1,0,1,0,0|2,0,0]=4 5411 B21R4.14529209 c1ccc2oc(nc2c1)CNC3CC4CCC3C4 7662170c4665401fe06916ac0c5ba8c9 [0,1,0,1,0,0|1,1,0]=4 5412 B21R4.14529209 c1ccc2oc(nc2c1)CNC3C[C@@H]4CC[C@H]3C4 84687470fa9abb023ccbc43abfbbb5e9 [0,1,0,1,0,0|1,1,0]=4 5413 B21R4.14529209 c1ccc2oc(nc2c1)CNC3C[C@H]4CC[C@@H]3C4 6c23b9d90b3890495eff085892f97942 [0,1,0,1,0,0|1,1,0]=4 5414 B21R4.14529209 c1ccc2oc(nc2c1)CN[C@@H]3C[C@H]4CC[C@@H]3C4 909d994e43803ba559bdf29fc1bf1d56 [0,1,0,1,0,0|1,1,0]=4 5415 B21R4.14529209 c1ccc2oc(nc2c1)CN[C@H]3C[C@@H]4CC[C@H]3C4 54ad7e82320374999fa2c1a1ec7737bc [0,1,0,1,0,0|1,1,0]=4 5416 B21R4.14529209 c1ccc2oc(nc2c1)CN[C@H]3C[C@H]4CC[C@@H]3C4 1c086e47b87040b934c7195abf7e0095 [0,1,0,1,0,0|1,1,0]=4 5417 B21R4.14529209 c1ccc2sc(nc2c1)CNC3CC4CCC3C4 ed59109710e23358d161fbc1a948a582 [0,1,0,1,0,0|1,0,0]=3 5418 B21R4.14529209 c1ccc2sc(nc2c1)CNC3C[C@@H]4CC[C@H]3C4 03996cf25a85edd8ecac6e6f4511b601 [0,1,0,1,0,0|1,0,0]=3 5419 B21R4.14529209 c1ccc2sc(nc2c1)CNC3C[C@H]4CC[C@@H]3C4 646a6dd1b3a6da312481da3a441d8439 [0,1,0,1,0,0|1,0,0]=3 5420 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@@H]3CN4CC[C@H]3C4 506fd4f91378e8e62d27d6c1fbb8f5a9 [0,1,0,1,0,0|2,0,0]=4 5421 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@@H]3C[C@H]4CC[C@@H]3C4 2946fe4f26fdc119873f0e5c9246a803 [0,1,0,1,0,0|1,0,0]=3 5422 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@@H]3C[N@]4CC[C@@H]3C4 62d518e754490f857c1c2fd8a53db1ba [0,1,0,1,0,0|2,0,0]=4 5423 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@H]3CN4CC[C@H]3C4 87fd5a9377a6bb3e5ac7637d64c65c3a [0,1,0,1,0,0|2,0,0]=4 5424 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@H]3C[C@@H]4CC[C@H]3C4 294b53c79b03d44ecc9246ca3a880335 [0,1,0,1,0,0|1,0,0]=3 5425 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@H]3C[C@H]4CC[C@@H]3C4 a5a4f326c5b838ed795911f89d0eb8cb [0,1,0,1,0,0|1,0,0]=3 5426 B21R4.14529209 c1ccc2sc(nc2c1)CN[C@H]3C[N@]4CC[C@@H]3C4 b3beb98a8570938dfa2c55ebe2733081 [0,1,0,1,0,0|2,0,0]=4 5427 B21R4.14529209 c1ccc2sc(nc2c1)COC3CC4CCC3C4 83cab1b59a8ac137c61a4f1523386325 [0,1,0,1,0,0|2,0,0]=4 5428 B21R4.14529209 c1ccc2sc(nc2c1)COC3C[C@@H]4CC[C@H]3C4 e65011cbca5bb67cea5770995f7cfb7e [0,1,0,1,0,0|2,0,0]=4 5429 B21R4.14529209 c1ccc2sc(nc2c1)COC3C[C@H]4CC[C@@H]3C4 c8d3ffb2114a42a656669fc00129f93f [0,1,0,1,0,0|2,0,0]=4 5430 B21R4.14529209 c1ccc2sc(nc2c1)CO[C@@H]3C[C@H]4CC[C@@H]3C4 b06042c0b297607aa4c6eb1ebf5de2e8 [0,1,0,1,0,0|2,0,0]=4 5431 B21R4.14529209 c1ccc2sc(nc2c1)CO[C@H]3C[C@@H]4CC[C@H]3C4 e66f5769c65b228e23fa84772510b7ee [0,1,0,1,0,0|2,0,0]=4 5432 B21R4.14529209 c1ccc2sc(nc2c1)CO[C@H]3C[C@H]4CC[C@@H]3C4 92ec88c1584a58217c7e9d4ef8e516d5 [0,1,0,1,0,0|2,0,0]=4 5433 B21R4.14529209 c1ccc2sc(nc2c1)NCC3CC4CCC3C4 0c9882f44fd808272b4d2626694e112b [0,1,0,1,0,0|2,0,0]=4 5434 B21R4.14529209 c1ccc2sc(nc2c1)NC[C@@H]3C[C@@H]4CC[C@H]3O4 422682d7ced5fe989944496af482604b [0,1,0,1,0,0|2,0,0]=4 5435 B21R4.14529209 c1ccc2sc(nc2c1)NC[C@H]3C[C@@H]4CC[C@H]3O4 9e9eeac3bd2722cc6c1ac6e27b4a07c9 [0,1,0,1,0,0|2,0,0]=4 5436 B21R4.14529209 c1ccc2sc(nc2c1)OCC3CC4CCC3C4 9e255286c611f7f4b64e77220e3b3c02 [0,1,0,1,0,0|1,1,0]=4 5437 B21R4.14529209 c1ccc2sc(nc2c1)OC[C@@H]3C[C@@H]4CC[C@H]3O4 d1b8c9ea36f317a81cc0a37b2576c481 [0,1,0,1,0,0|1,1,0]=4 5438 B21R4.14529209 c1ccc2sc(nc2c1)OC[C@H]3C[C@@H]4CC[C@H]3O4 c77b23491ebf489e178979d42d2b86b2 [0,1,0,1,0,0|1,1,0]=4 5439 B21R4.14529209 c1ccc2sc(nc2c1)SCN3CC4CCC3C4 368348ee5888d182f91ab43007c62acc [0,1,0,1,0,0|2,0,0]=4 5440 B21R4.14529209 c1ccc2sc(nc2c1)SCN3C[C@@H]4CC[C@H]3C4 b1a4a3ec18685fd9adfaf370499f2b35 [0,1,0,1,0,0|2,0,0]=4 5441 B21R4.14529209 c1ccc2sc(nc2c1)SCN3C[C@H]4CC[C@@H]3C4 634da0b42c8b907fddc39c75a1ec8e44 [0,1,0,1,0,0|2,0,0]=4 5442 B21R4.84951982 c1ccc2sc(nc2c1)COC3CC4CC(C4)C3 50f6d7eda5907f79f8830172e953ecc3 [0,1,0,1,0,0|2,0,0]=4 5443 B21R4.84951982 c1ccc2sc(nc2c1)SCN3CC4CC(C3)O4 a1c27c3e49ba18141e1490a00c58e4d9 [0,1,0,1,0,0|2,0,0]=4 5444 B21R4.84951982 c1ccc2sc(nc2c1)SCN3C[C@H]4C[C@@H](C3)O4 5d846d0e4a9d77c3a0e1cbbb99307262 [0,1,0,1,0,0|2,0,0]=4 5445 B21R4.144455 Cc1ccc2nc([nH]c2c1)CN3C4C3CCCC4 af37fa452ec88edd70939433816403de [0,1,0,1,0,0|2,0,0]=4 5446 B21R4.144455 Cc1ccc2nc(oc2c1)CN3C4C3CCCC4 8e0f99b278076da6718d895e6c798f99 [0,1,0,1,0,0|1,1,0]=4 5447 B21R4.144455 Cc1ccc2oc(nc2c1)CN3C4C3CCCC4 b0e77a78c5120fb361e24db747b80fb8 [0,1,0,1,0,0|1,1,0]=4 5448 B21R4.144455 Clc1ccc2[nH]c(nc2c1)CN3C4C3CCCC4 d4f347163a6037ea32a231bea769c53a [0,1,0,1,0,0|2,0,0]=4 5449 B21R4.144455 Clc1ccc2nc(oc2c1)CN3C4C3CCCC4 cf747f48d4b1f03bde954f3374a82b4a [0,1,0,1,0,0|1,1,0]=4 5450 B21R4.144455 Clc1ccc2oc(nc2c1)CN3C4C3CCCC4 8392d9eceac17e97ae5a617820cbbc38 [0,1,0,1,0,0|1,1,0]=4 5451 B21R4.144455 Clc1ccc2sc(cc2c1)CN3C4C3CCCC4 b846164450c2aebc65142f87814d2058 [0,1,0,1,0,0|2,0,0]=4 5452 B21R4.144455 Clc1cnc2sc(nc2c1)CN3C4C3CCCC4 1ecae21906ac21b829cd4d50dd38991b [0,1,0,1,0,0|2,0,0]=4 5453 B21R4.144455 Fc1ccc2nc([nH]c2c1)CN3C4C3CCCC4 7a5960d062f20ea169d24dba5ceb8c28 [0,1,0,1,0,0|2,0,0]=4 5454 B21R4.144455 Fc1ccc2nc(oc2c1)CN3C4C3CCCC4 40c0146c226806c28fbc9f8747c7141e [0,1,0,1,0,0|1,1,0]=4 5455 B21R4.144455 Fc1ccc2oc(nc2c1)CN3C4C3CCCC4 d59d7e3ae5e848377162487885eb40a9 [0,1,0,1,0,0|1,1,0]=4 5456 B21R4.144455 Fc1ccc2sc(nc2c1)CN3C4C3CCCC4 ccad1aab4a5604f634cc24d68844cf65 [0,1,0,1,0,0|1,0,0]=3 5457 B21R4.3345700 Fc1ccc2sc(nc2c1)COC3CC4CC4C3 6b7e40f4f17c6767a36a4263233b80e4 [0,1,0,1,0,0|2,0,0]=4 5458 B21R4.3345700 Fc1ccc2sc(nc2c1)COC3C[C@@H]4C[C@@H]4C3 af866b131aacd9f664f1b0aae5055f8f [0,1,0,1,0,0|2,0,0]=4 5459 B21R4.3345700 Fc1ccc2sc(nc2c1)CO[C@@H]3C[C@@H]4C[C@@H]4C3 e044d0bd100701cb2ee16710f9291324 [0,1,0,1,0,0|2,0,0]=4 5460 B21R4.3345700 Fc1ccc2sc(nc2c1)CO[C@H]3C[C@@H]4C[C@@H]4C3 33cbd94baab65be2ff6e20599964bdee [0,1,0,1,0,0|2,0,0]=4 5461 B21R4.22831084 Brc1ccc2nc(sc2c1)NC3C4CCC3CC4 d6469400e5b05323877799bebb21b0c9 [0,1,0,1,0,0|2,0,0]=4 5462 B21R4.22831084 Cc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 03d03c30c86bcd9c298871fd0d0956b2 [0,1,0,1,0,0|2,0,0]=4 5463 B21R4.22831084 Cc1ccc2nc([nH]c2c1)CN3[C@H]4CC[C@@H]3CC4 90d0689a1a559d57027ba5d92692a2f4 [0,1,0,1,0,0|2,0,0]=4 5464 B21R4.22831084 Cc1ccc2nc(oc2c1)CN3C4CCC3CC4 72632ce49684ba4b42b98c7553252a3c [0,1,0,1,0,0|1,1,0]=4 5465 B21R4.22831084 Cc1ccc2nc(oc2c1)CN3[C@H]4CC[C@@H]3CC4 4ba6c9d7b2e698058e2724ca41a52f2f [0,1,0,1,0,0|1,1,0]=4 5466 B21R4.22831084 Cc1ccc2nc(sc2c1)NC3C4CCC3CC4 57c367f129b2e3c21967fc63cf1b742e [0,1,0,1,0,0|2,0,0]=4 5467 B21R4.22831084 Cc1ccc2nc(sc2c1)OC3C4CCC3CC4 9a6138825d2f4d2a6aabaae5e100356c [0,1,0,1,0,0|1,1,0]=4 5468 B21R4.22831084 Cc1ccc2oc(nc2c1)CN3C4CCC3CC4 5bef56e8b0b5f93dd3f027317498199e [0,1,0,1,0,0|1,1,0]=4 5469 B21R4.22831084 Cc1ccc2oc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 33ab1dc82b7ef81e7890730c35e04712 [0,1,0,1,0,0|1,1,0]=4 5470 B21R4.22831084 Clc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 927bf951501671245e9311b935c8c2e5 [0,1,0,1,0,0|2,0,0]=4 5471 B21R4.22831084 Clc1ccc2[nH]c(nc2c1)CN3[C@H]4CC[C@@H]3CC4 fe7dad90b0c86519db5d10d6827f5fff [0,1,0,1,0,0|2,0,0]=4 5472 B21R4.22831084 Clc1ccc2nc(oc2c1)CN3C4CCC3CC4 e5aa0cec306b8739b78901adb2ed6cf4 [0,1,0,1,0,0|1,1,0]=4 5473 B21R4.22831084 Clc1ccc2nc(oc2c1)CN3[C@H]4CC[C@@H]3CC4 58f7c5a5b4e67dbc46ae74cb616ced8a [0,1,0,1,0,0|1,1,0]=4 5474 B21R4.22831084 Clc1ccc2nc(sc2c1)NC3C4CCC3CC4 5ed0eaf613c4b143c671e99758a8d414 [0,1,0,1,0,0|2,0,0]=4 5475 B21R4.22831084 Clc1ccc2nc(sc2c1)OC3C4CCC3CC4 99113d60e66b13b6d6373a4568e4a42e [0,1,0,1,0,0|1,1,0]=4 5476 B21R4.22831084 Clc1ccc2oc(nc2c1)CN3C4CCC3CC4 ae5850e0ef560ad8fa2930c6a9e45d9f [0,1,0,1,0,0|1,1,0]=4 5477 B21R4.22831084 Clc1ccc2oc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 20d92eb36353a9bceb89e395d5ecb401 [0,1,0,1,0,0|1,1,0]=4 5478 B21R4.22831084 Clc1ccc2sc(cc2c1)CN3C4CCC3CC4 47c4829aabf2d24e0d5fc473d1b9977b [0,1,0,1,0,0|2,0,0]=4 5479 B21R4.22831084 Clc1ccc2sc(cc2c1)CN3[C@H]4CC[C@@H]3CC4 9b86c8a825e23116a8ed8a41e855509e [0,1,0,1,0,0|2,0,0]=4 5480 B21R4.22831084 Clc1cnc2sc(nc2c1)CN3C4CCC3CC4 2cd0b3697a13a63458c3061eaf9449ff [0,1,0,1,0,0|2,0,0]=4 5481 B21R4.22831084 Clc1cnc2sc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 562c30c3d046b9d5fbb4ba935c40fdcf [0,1,0,1,0,0|2,0,0]=4 5482 B21R4.22831084 Fc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 3d67e17e2f116463b1e34a91c7540949 [0,1,0,1,0,0|2,0,0]=4 5483 B21R4.22831084 Fc1ccc2nc([nH]c2c1)CN3[C@H]4CC[C@@H]3CC4 d838ec5440f29af6bf42bd1b77a70657 [0,1,0,1,0,0|2,0,0]=4 5484 B21R4.22831084 Fc1ccc2nc(oc2c1)CN3C4CCC3CC4 588bc4e364c66f09f780a57c61be5381 [0,1,0,1,0,0|1,1,0]=4 5485 B21R4.22831084 Fc1ccc2nc(oc2c1)CN3[C@H]4CC[C@@H]3CC4 b1b5105c34dff12393fc930f28e76dd4 [0,1,0,1,0,0|1,1,0]=4 5486 B21R4.22831084 Fc1ccc2nc(sc2c1)NC3C4CCC3CC4 f44b0e6d457e6674693a4812db6ab34f [0,1,0,1,0,0|2,0,0]=4 5487 B21R4.22831084 Fc1ccc2nc(sc2c1)OC3C4CCC3CC4 26afbcbb934ac0c91830da2dfdfe3472 [0,1,0,1,0,0|1,1,0]=4 5488 B21R4.22831084 Fc1ccc2oc(nc2c1)CN3C4CCC3CC4 10e99c1675442741746975f6b64fe868 [0,1,0,1,0,0|1,1,0]=4 5489 B21R4.22831084 Fc1ccc2oc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 6a917707aeeb508ee66e2b548eac8476 [0,1,0,1,0,0|1,1,0]=4 5490 B21R4.22831084 Fc1ccc2sc(nc2c1)CN3C4CCC3CC4 141849833bf454dff269089414c93b3c [0,1,0,1,0,0|1,0,0]=3 5491 B21R4.22831084 Fc1ccc2sc(nc2c1)CN3[C@H]4CC[C@@H]3CC4 9a69cbd31f7e0bc1ed617a7fa7a3f40b [0,1,0,1,0,0|1,0,0]=3 5492 B21R4.22831084 Ic1ccc2nc(sc2c1)NC3C4CCC3CC4 8dfc9d8ca7fe0af9a5cb35f67c58954a [0,1,0,1,0,0|2,0,0]=4 5493 B21R4.22831568 Fc1ccc2sc(nc2c1)COC3CCC4C3C4 7ccbb45ad26ab8bc27982dd72ef882ef [0,1,0,1,0,0|2,0,0]=4 5494 B21R4.22831568 Fc1ccc2sc(nc2c1)CO[C@@H]3CC[C@@H]4[C@H]3C4 971b1fb80983bfe9d381d44f5e2f3d55 [0,1,0,1,0,0|2,0,0]=4 5495 B21R4.118191429 Fc1ccc2sc(nc2c1)CN3C4COCC3C4 2de126461b86b3e55b250c46f495beee [0,1,0,1,0,0|2,0,0]=4 5496 B21R4.454760 Brc1cccc2c1cc(s2)CN3C4C3CCCC4 f3b2a4488f0e0a7ad4f50e18c864c9d7 [0,1,0,1,0,0|2,0,0]=4 5497 B21R4.454760 Clc1cccc2c1cc(s2)CN3C4C3CCCC4 b00ea8c1b7b33ab0cc7638b66288c06e [0,1,0,1,0,0|2,0,0]=4 5498 B21R4.454760 Clc1cccc2c1nc(o2)CN3C4C3CCCC4 623e186781e57800b9805d35d7dbc0a5 [0,1,0,1,0,0|1,1,0]=4 5499 B21R4.454760 Fc1cccc2c1nc(o2)CN3C4C3CCCC4 e34d4e6d2f32f9edf33b1f48bcc7f7a9 [0,1,0,1,0,0|1,1,0]=4 5500 B21R4.6889675 Brc1cccc2c1cc(s2)CN3C4CCC3CC4 19b4809ce68f2dfb04e88a09bd33637c [0,1,0,1,0,0|2,0,0]=4 5501 B21R4.6889675 Brc1cccc2c1cc(s2)CN3[C@H]4CC[C@@H]3CC4 40a0bc6173d510ac067fd728d3de10b0 [0,1,0,1,0,0|2,0,0]=4 5502 B21R4.6889675 Clc1cccc2c1cc(s2)CN3C4CCC3CC4 4ffd5643f644358dd65029a27e715c85 [0,1,0,1,0,0|2,0,0]=4 5503 B21R4.6889675 Clc1cccc2c1cc(s2)CN3[C@H]4CC[C@@H]3CC4 4c2c5a4d4c36ec390b65be25da5ef4c4 [0,1,0,1,0,0|2,0,0]=4 5504 B21R4.6889675 Clc1cccc2c1nc(o2)CN3C4CCC3CC4 3ef901d3aa70320d97a3a1d34b975d0f [0,1,0,1,0,0|1,1,0]=4 5505 B21R4.6889675 Clc1cccc2c1nc(o2)CN3[C@H]4CC[C@@H]3CC4 8458a9f20aa6303803040cc6769ca39a [0,1,0,1,0,0|1,1,0]=4 5506 B21R4.6889675 Fc1cccc2c1nc(o2)CN3C4CCC3CC4 d8b2553e8123cc4ed0c252913ee21cdb [0,1,0,1,0,0|1,1,0]=4 5507 B21R4.6889675 Fc1cccc2c1nc(o2)CN3[C@H]4CC[C@@H]3CC4 ef0b8226c8f27716edfb1a7a89c7050a [0,1,0,1,0,0|1,1,0]=4 5508 B21R4.6366 O=C(c1cc2ccccc2s1)N3C4C3CCCC4 9280db2d74dcfca4c654eab4e90ffb43 [0,1,0,1,0,0|2,0,0]=4 5509 B21R4.6366 O=C(c1nc2ccccc2o1)N3C4C3CCCC4 c509675f1b7af8ca71251514d4c53699 [0,1,0,1,0,0|1,1,0]=4 5510 B21R4.6366 O=C(c1nc2ccccc2s1)N3C4C3CCCC4 a14c8d4d3525644cab29b373152520be [0,1,0,1,0,0|1,0,0]=3 5511 B21R4.6366 O=C(c1nc2cccnc2s1)N3C4C3CCCC4 fdd47c267d1b6c396c807bc503a32dd0 [0,1,0,1,0,0|2,0,0]=4 5512 B21R4.6366 O=C(c1nc2ccncc2s1)N3C4C3CCCC4 d78cb2dfc35eb28a817babccb46e1b4e [0,1,0,1,0,0|2,0,0]=4 5513 B21R4.6366 O=C(c1nc2cnccc2s1)N3C4C3CCCC4 a90cb0a02d3536fcdcb652f015a7db19 [0,1,0,1,0,0|2,0,0]=4 5514 B21R4.3289859 O=C(c1cc2ccccc2s1)N3C4CCC3CC4 98244f4d878c1dba078ca8f4eeb31a51 [0,1,0,1,0,0|2,0,0]=4 5515 B21R4.3289859 O=C(c1cc2ccccc2s1)N3[C@H]4CC[C@@H]3CC4 2bca6480b05c1a5773785896f469dc68 [0,1,0,1,0,0|2,0,0]=4 5516 B21R4.3289859 O=C(c1nc2ccccc2o1)N3C4CCC3CC4 52264a7dc1c7657bf1f2b57a5c8d40d3 [0,1,0,1,0,0|1,1,0]=4 5517 B21R4.3289859 O=C(c1nc2ccccc2o1)N3[C@H]4CC[C@@H]3CC4 8905773045f69083d562d9f607ba886d [0,1,0,1,0,0|1,1,0]=4 5518 B21R4.3289859 O=C(c1nc2ccccc2s1)N3C4CCC3CC4 b281130958d08dd902ec49bbb2b16a0d [0,1,0,1,0,0|1,0,0]=3 5519 B21R4.3289859 O=C(c1nc2ccccc2s1)N3[C@H]4CC[C@@H]3CC4 83d4debac07688a61bf0dbaeb6c68b53 [0,1,0,1,0,0|1,0,0]=3 5520 B21R4.3289859 O=C(c1nc2cccnc2s1)N3C4CCC3CC4 c4c95bd9ef1965e5f88f966680461b84 [0,1,0,1,0,0|2,0,0]=4 5521 B21R4.3289859 O=C(c1nc2cccnc2s1)N3[C@H]4CC[C@@H]3CC4 0fcacef357acb5f665fca0b1ebd68399 [0,1,0,1,0,0|2,0,0]=4 5522 B21R4.3289859 O=C(c1nc2ccncc2s1)N3C4CCC3CC4 80d747b6fe0b96e087e5005fbd9917b6 [0,1,0,1,0,0|2,0,0]=4 5523 B21R4.3289859 O=C(c1nc2ccncc2s1)N3[C@H]4CC[C@@H]3CC4 2a4c532fe233bd01f3232cc5b2561e15 [0,1,0,1,0,0|2,0,0]=4 5524 B21R4.3289859 O=C(c1nc2cnccc2s1)N3C4CCC3CC4 49d525c8388ff7ee6e87bfdc93ef0b4a [0,1,0,1,0,0|2,0,0]=4 5525 B21R4.3289859 O=C(c1nc2cnccc2s1)N3[C@H]4CC[C@@H]3CC4 a9d263f31fc5b6f23b8215ff67a5fb07 [0,1,0,1,0,0|2,0,0]=4 5526 B21R4.22401067 O=C(c1nc2ccccc2s1)N3C4COCC3C4 82496f5f82268b02f0fc9a041d367c46 [0,1,0,1,0,0|2,0,0]=4 5527 B21R4.448048 CN1C[C@@H]2[C@H](C1)[C@H]2NCc3nc4ccccc4s3 9b1f643e921809f6fa04fed6110da56f [0,1,0,1,0,0|2,0,0]=4 5528 B21R4.498132935 c1ccc2sc(nc2c1)NCC34CCC(O3)CC4 d82f2d25a13b70688d6eb414c19c1214 [0,1,0,1,0,0|2,0,0]=4 5529 B21R4.498132935 c1ccc2sc(nc2c1)OCC34CCC(O3)CC4 6686750c3aa16153f3e34d4868c7c4ce [0,1,0,1,0,0|1,1,0]=4 5530 B17R2.2069 C=CCCC(C)Nc1nc2ccccc2s1 0de7a153aa616219c1770067e47b49c3 [0,0,1,0,1,0|0,0,2]=4 5531 B17R2.2069 CC(CCCO)Nc1nc2ccccc2[nH]1 27ea6283288c61bcb2151d0487bec5e6 [0,0,1,0,1,0|2,0,0]=4 5532 B17R2.2069 CC(CCCO)Nc1nc2ccccc2o1 bbe25fdcad20801b38c1c51460da5a86 [0,0,1,0,1,0|1,1,0]=4 5533 B17R2.2069 CC(CCCO)Nc1nc2ccncc2s1 e93e76ecaa85c33c48cb8cbc68b6ac42 [0,0,1,0,1,0|2,0,0]=4 5534 B17R2.2069 CC(CCCO)Nc1nc2cnccc2s1 3b205857363ec681c877f6f548f8ac1b [0,0,1,0,1,0|2,0,0]=4 5535 B17R2.2069 CCCCC(=O)Nc1nc2ccccc2s1 6e5056e5f3469ccaddb97ba0e13282f5 [0,0,1,0,1,0|1,0,1]=4 5536 B17R2.2069 CCCCC(C)Nc1cc2ccccc2o1 67d00ddee55ea3c37b77c2e6ebfd362d [0,0,1,0,1,0|1,1,0]=4 5537 B17R2.2069 CCCCC(C)Nc1cc2ccccn2n1 a9e93d7b2d2a6612fa62dbfa180c0aea [0,0,1,0,1,0|2,0,0]=4 5538 B17R2.2069 CCCCC(C)Nc1cn2ccccc2n1 f5dbb5d52a6756570fa03a762e680a9a [0,0,1,0,1,0|2,0,0]=4 5539 B17R2.2069 CCCCC(C)Nc1nc2ccccc2[nH]1 569c51196ffb0c1e20b90bcd8840ae4c [0,0,1,0,1,0|1,0,0]=3 5540 B17R2.2069 CCCCC(C)Nc1nc2ccccc2o1 0e693064d20cddd79ed6edd3a59c3653 [0,0,1,0,1,0|0,1,0]=3 5541 B17R2.2069 CCCCC(C)Nc1nc2ccccc2s1 8c563c6c00c14d59fda535ab59824536 [0,0,1,0,1,0|0,0,0]=2 5542 B17R2.2069 CCCCC(C)Nc1nc2ccccn2n1 95cab7f8527331c6a8da83c678813fa4 [0,0,1,0,1,0|2,0,0]=4 5543 B17R2.2069 CCCCC(C)Nc1nc2cccnc2o1 d5ee108407c63c09c526a40296bde719 [0,0,1,0,1,0|1,1,0]=4 5544 B17R2.2069 CCCCC(C)Nc1nc2cccnc2s1 6c1dc54e7dea8d12e286368ae06f4299 [0,0,1,0,1,0|1,0,0]=3 5545 B17R2.2069 CCCCC(C)Nc1nc2ccncc2o1 86e3dbb78bc4d834d317a38f2cbb8748 [0,0,1,0,1,0|1,1,0]=4 5546 B17R2.2069 CCCCC(C)Nc1nc2ccncc2s1 7b3d5638040338ded3074e187dd33b2c [0,0,1,0,1,0|1,0,0]=3 5547 B17R2.2069 CCCCC(C)Nc1nc2cnccc2[nH]1 96fd4692f15d53aa2639e26ad18da296 [0,0,1,0,1,0|2,0,0]=4 5548 B17R2.2069 CCCCC(C)Nc1nc2cnccc2o1 4478574c63059eb8c0c4ac5e1eca4dda [0,0,1,0,1,0|1,1,0]=4 5549 B17R2.2069 CCCCC(C)Nc1nc2cnccc2s1 8f92e03a94b419932f5535bf55dd5324 [0,0,1,0,1,0|1,0,0]=3 5550 B17R2.2069 CCCCC(C)Nc1nc2cncnc2s1 0c5a75ed47120a9312c8ac7884002358 [0,0,1,0,1,0|2,0,0]=4 5551 B17R2.2069 CCCCC(C)Nc1nc2ncccc2[nH]1 1d175ee138fcc3b1e7c16eb5e727f8ec [0,0,1,0,1,0|2,0,0]=4 5552 B17R2.2069 CCCCC(C)Nc1nc2ncccc2o1 170f7e1b92f16247fb8f827990508f3c [0,0,1,0,1,0|1,1,0]=4 5553 B17R2.2069 CCCCC(C)Nc1nc2ncccc2s1 b7cf73843431473f82af8e874759f5a7 [0,0,1,0,1,0|1,0,0]=3 5554 B17R2.2069 CCCCC(C)Nc1nc2nccnc2s1 5af4d1f30ad46e21570e9f257da864a8 [0,0,1,0,1,0|2,0,0]=4 5555 B17R2.2069 CCCCC(C)Oc1cc2ccccc2s1 ce53d273b48b6c34daa86a162ab9236c [0,0,1,0,1,0|1,1,0]=4 5556 B17R2.2069 CCCCC(C)Oc1nc2ccccc2[nH]1 40337ef281d686074d7b7e34f4022f62 [0,0,1,0,1,0|1,1,0]=4 5557 B17R2.2069 CCCCC(C)Oc1nc2ccccc2s1 742345e429580e238807a05545b2a325 [0,0,1,0,1,0|0,1,0]=3 5558 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 93e7fa1161112e956df09587693bc582 [0,0,1,0,1,0|2,0,0]=4 5559 B17R2.2069 CCCC[C@@H](C)Nc1cc2ccccc2o1 23c57b48bc912c849660a47334d5dd31 [0,0,1,0,1,0|1,1,0]=4 5560 B17R2.2069 CCCC[C@@H](C)Nc1cc2ccccn2n1 ce1d5ad8b2d7f04f021ba7a5f52ea2aa [0,0,1,0,1,0|2,0,0]=4 5561 B17R2.2069 CCCC[C@@H](C)Nc1cn2ccccc2n1 92512a3c3b5bff1037922ec796013a09 [0,0,1,0,1,0|2,0,0]=4 5562 B17R2.2069 CCCC[C@@H](C)Nc1nc2ccccc2o1 6267e32ef5b5e409dd8ac40dd09ae703 [0,0,1,0,1,0|0,1,0]=3 5563 B17R2.2069 CCCC[C@@H](C)Nc1nc2ccccn2n1 ca9e7c9ed070d203b19ec4d476b496f1 [0,0,1,0,1,0|2,0,0]=4 5564 B17R2.2069 CCCC[C@@H](C)Nc1nc2cccnc2o1 6c6dc8c5c2da3f82ac56b200be0722f7 [0,0,1,0,1,0|1,1,0]=4 5565 B17R2.2069 CCCC[C@@H](C)Nc1nc2ncccc2o1 c42ac444023e1e768af3fb491b1c1e6e [0,0,1,0,1,0|1,1,0]=4 5566 B17R2.2069 CCOCC(F)Sc1nc2ccccc2s1 2f3e0ad47c98f290aa6f8cd3058d2514 [0,0,1,0,1,0|2,0,0]=4 5567 B17R2.2069 C[C@H](CCCO)Nc1nc2ccccc2[nH]1 10baa38bfff5a737cc831308374743a7 [0,0,1,0,1,0|2,0,0]=4 5568 B17R2.2069 C[C@H](CCCO)Nc1nc2ccccc2o1 83ea3ec58be097a5f662b0d725c623b3 [0,0,1,0,1,0|1,1,0]=4 5569 B17R2.2342 O=C(CNC1CCCCC1)c2ccccc2 27c9fbd4683de62956fb39706fc96966 [0,0,1,0,1,0|1,1,0]=4 5570 B17R2.3569 CCC(COC)Nc1cc2ccccc2s1 a850f12372208ee455b3870a07024b74 [0,0,1,0,1,0|2,0,0]=4 5571 B17R2.3569 CCC(COC)Nc1nc2ccccc2o1 1282615b5a07c3af8b0949bab1e50b10 [0,0,1,0,1,0|1,1,0]=4 5572 B17R2.3569 CCCC(CC)Nc1cc2ccccn2n1 8d48fd8b0b4f388ec4478287b1510269 [0,0,1,0,1,0|2,0,0]=4 5573 B17R2.3569 CCCC(CC)Nc1cn2ccccc2n1 a6c4649ba7c572fefc6becf6917da7f2 [0,0,1,0,1,0|2,0,0]=4 5574 B17R2.3569 CCCC(CC)Nc1nc2ccccc2[nH]1 b02b231111b02bdb337a7c19a9f2122b [0,0,1,0,1,0|1,0,0]=3 5575 B17R2.3569 CCCC(CC)Nc1nc2ccccc2o1 4794940b1972f637f11655b1d2072f12 [0,0,1,0,1,0|0,1,0]=3 5576 B17R2.3569 CCCC(CC)Nc1nc2ccccc2s1 717e2b1a45b9c849f1983931239765a1 [0,0,1,0,1,0|0,0,0]=2 5577 B17R2.3569 CCCC(CC)Nc1nc2ccccn2n1 3b8af4a76920d00543044febeb0266e7 [0,0,1,0,1,0|2,0,0]=4 5578 B17R2.3569 CCCC(CC)Nc1nc2cccnc2o1 58d309344bfc0f267058e4bd5d8ba74b [0,0,1,0,1,0|1,1,0]=4 5579 B17R2.3569 CCCC(CC)Nc1nc2cccnc2s1 12dfcde32fdd32e91105c3f224a4e195 [0,0,1,0,1,0|1,0,0]=3 5580 B17R2.3569 CCCC(CC)Nc1nc2ccncc2o1 1eac510a15d1b9e1494aa981b3add792 [0,0,1,0,1,0|1,1,0]=4 5581 B17R2.3569 CCCC(CC)Nc1nc2ccncc2s1 d7998e43adcb93272ef9a5b032f34c45 [0,0,1,0,1,0|1,0,0]=3 5582 B17R2.3569 CCCC(CC)Nc1nc2cnccc2[nH]1 21ada76fb9dc745d139f172b010788fe [0,0,1,0,1,0|2,0,0]=4 5583 B17R2.3569 CCCC(CC)Nc1nc2cnccc2o1 11eb2141141c6a33c69856e6ce839342 [0,0,1,0,1,0|1,1,0]=4 5584 B17R2.3569 CCCC(CC)Nc1nc2cnccc2s1 195c10da27b3a87b27d2ed3ae7dddacf [0,0,1,0,1,0|1,0,0]=3 5585 B17R2.3569 CCCC(CC)Nc1nc2cncnc2s1 82cb57a4a7cdd8ebacca8c9a40802067 [0,0,1,0,1,0|2,0,0]=4 5586 B17R2.3569 CCCC(CC)Nc1nc2ncccc2[nH]1 4971f8e40c86c58859470496f5273234 [0,0,1,0,1,0|2,0,0]=4 5587 B17R2.3569 CCCC(CC)Nc1nc2ncccc2o1 5539ac575f264c655b7e21327cd703f8 [0,0,1,0,1,0|1,1,0]=4 5588 B17R2.3569 CCCC(CC)Nc1nc2ncccc2s1 cd5669fd2b687a3896bf06d3eea95051 [0,0,1,0,1,0|1,0,0]=3 5589 B17R2.3569 CCCC(CC)Nc1nc2nccnc2s1 b420ac79fd69d1880cd2f62f99db6dd2 [0,0,1,0,1,0|2,0,0]=4 5590 B17R2.3569 CCCC(CC)Oc1cc2ccccc2s1 7b3ba41edf1dcf53923a2ba71b0006a6 [0,0,1,0,1,0|1,1,0]=4 5591 B17R2.3569 CCCC(CC)Oc1nc2ccccc2[nH]1 36c6f0572979c5e5584df7045e163963 [0,0,1,0,1,0|1,1,0]=4 5592 B17R2.3569 CCCC(CC)Oc1nc2ccccc2s1 2a7e8db08b9089670520f801a95f8c2c [0,0,1,0,1,0|0,1,0]=3 5593 B17R2.3569 CCCC(CO)Nc1cc2ccccc2s1 bd355172b7c4de3ed6c5844cc6893a37 [0,0,1,0,1,0|2,0,0]=4 5594 B17R2.3569 CCCC(CO)Nc1nc2ccccc2[nH]1 484d26d68c0ba3d3b84590fa2fc7163c [0,0,1,0,1,0|2,0,0]=4 5595 B17R2.3569 CCCC(CO)Nc1nc2ccccc2o1 8b095532984215c569a611943e1ab8fb [0,0,1,0,1,0|1,1,0]=4 5596 B17R2.3569 CCCC(CO)Nc1nc2ccccc2s1 041c6b2563d1602fec5490d1dfdcd18a [0,0,1,0,1,0|1,0,0]=3 5597 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 be01458796dbcb85a9f955af904c3b4e [0,0,1,0,1,0|2,0,0]=4 5598 B17R2.3569 CCC[C@@H](CO)Nc1cc2ccccc2s1 1210f9dde1807ce242ea081cc8be4eb3 [0,0,1,0,1,0|2,0,0]=4 5599 B17R2.3569 CCC[C@@H](CO)Nc1nc2ccccc2[nH]1 75641401ac220bff881017f9ffca6562 [0,0,1,0,1,0|2,0,0]=4 5600 B17R2.3569 CCC[C@@H](CO)Nc1nc2ccccc2o1 25d3f1971c2f0a98b4444429d65ffde6 [0,0,1,0,1,0|1,1,0]=4 5601 B17R2.3569 CCC[C@@H](CO)Nc1nc2ccccc2s1 c567d0b5fbf55a4781680c3dea380735 [0,0,1,0,1,0|1,0,0]=3 5602 B17R2.3569 CCC[C@H](CO)Nc1cc2ccccc2s1 7b48cfc5a5b80f811bdc056e32f25fae [0,0,1,0,1,0|2,0,0]=4 5603 B17R2.3569 CCC[C@H](CO)Nc1nc2ccccc2[nH]1 de2eec0fd8594ffdd0727cc3f9f27e7c [0,0,1,0,1,0|2,0,0]=4 5604 B17R2.3569 CCC[C@H](CO)Nc1nc2ccccc2o1 b87e1a073c5441a601d8171614220bb0 [0,0,1,0,1,0|1,1,0]=4 5605 B17R2.3569 CCC[C@H](CO)Nc1nc2ccccc2s1 a3126837273f3bcf6ae88ef8cb2af04b [0,0,1,0,1,0|1,0,0]=3 5606 B17R3.8685 c1cc2[nH]c(nc2cn1)NC3CCCC3 2ad6b00898fe71e7ef901e9e5faecc24 [0,0,0,0,2,0|2,0,0]=4 5607 B17R3.8685 c1cc2nc(oc2cn1)NC3CCCC3 253eefb9f0a43aadd4170bfb59ca0cc5 [0,0,0,0,2,0|1,1,0]=4 5608 B17R3.8685 c1cc2oc(nc2cn1)NC3CCCC3 44984af16db499bfeb5c97dd10c1db96 [0,0,0,0,2,0|1,1,0]=4 5609 B17R3.8685 c1cc2sc(nc2cn1)NC3CCCC3 7969698dd5fe03b44565de1acedf2d71 [0,0,0,0,2,0|1,0,0]=3 5610 B17R3.8685 c1cc2sc(nc2cn1)NC3CCOC3 84b20deeacd73a5e73ea2fb9e5c94752 [0,0,0,0,2,0|2,0,0]=4 5611 B17R3.8685 c1cc2sc(nc2cn1)N[C@@H]3CCOC3 df4bf4d2759fec51bd7217820d7658d1 [0,0,0,0,2,0|2,0,0]=4 5612 B17R3.8685 c1cc2sc(nc2cn1)N[C@H]3CCOC3 b7238982f1076479f8388294472c5d36 [0,0,0,0,2,0|2,0,0]=4 5613 B17R3.8685 c1ccc2[nH]c(nc2c1)NC3CCCC3 42547498de0905cbb1238bf7b3b5f6f1 [0,0,0,0,2,0|1,0,0]=3 5614 B17R3.8685 c1ccc2[nH]c(nc2c1)NC3CCOC3 ffa481f7b736e91556a8bec0ae1b818b [0,0,0,0,2,0|2,0,0]=4 5615 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@@H]3CCOC3 afecbc63e0a8ea6aa0e668b9c7b5fd7f [0,0,0,0,2,0|2,0,0]=4 5616 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@H]3CCOC3 38776abc8244e698f54aa1098e8a34ef [0,0,0,0,2,0|2,0,0]=4 5617 B17R3.8685 c1ccc2[nH]c(nc2c1)OC3CCCC3 bd870b89feb9f7d6bf8d124cdddb2907 [0,0,0,0,2,0|1,1,0]=4 5618 B17R3.8685 c1ccc2oc(cc2c1)NC3CCCC3 400892b002536ae82d78270ce9c21a4d [0,0,0,0,2,0|1,1,0]=4 5619 B17R3.8685 c1ccc2oc(nc2c1)NC3CCCC3 c0e99dc8a6c7026b90aff87a06d07da1 [0,0,0,0,2,0|0,1,0]=3 5620 B17R3.8685 c1ccc2oc(nc2c1)NC3CCOC3 aad6383a925bf79e25faec83a9ccef47 [0,0,0,0,2,0|1,1,0]=4 5621 B17R3.8685 c1ccc2oc(nc2c1)NC3CCSC3 514ad775c701cf2e86a8936f8541400e [0,0,0,0,2,0|1,1,0]=4 5622 B17R3.8685 c1ccc2oc(nc2c1)N[C@@H]3CCOC3 ab14f34b1acc6c64ace6fec5b4b6026f [0,0,0,0,2,0|1,1,0]=4 5623 B17R3.8685 c1ccc2oc(nc2c1)N[C@H]3CCOC3 eb035aa0339a586262141c3ebb37813f [0,0,0,0,2,0|1,1,0]=4 5624 B17R3.8685 c1ccc2sc(cc2c1)NC3CCCC3 d8dfa21afaeba0e7b215bdbce88e3dd0 [0,0,0,0,2,0|1,0,0]=3 5625 B17R3.8685 c1ccc2sc(cc2c1)NC3CCOC3 a8944ccacbf662e53515676d85026ec6 [0,0,0,0,2,0|2,0,0]=4 5626 B17R3.8685 c1ccc2sc(cc2c1)NC3CCSC3 c275605ca0c4d189686a3808752570ec [0,0,0,0,2,0|2,0,0]=4 5627 B17R3.8685 c1ccc2sc(cc2c1)N[C@@H]3CCOC3 d764267224a7dcc7c0157e052eca7d4f [0,0,0,0,2,0|2,0,0]=4 5628 B17R3.8685 c1ccc2sc(cc2c1)N[C@H]3CCOC3 02bba3b94332fa5cc889e76c80ff6f96 [0,0,0,0,2,0|2,0,0]=4 5629 B17R3.8685 c1ccn2cc(nc2c1)NC3CCCC3 e88ed947f32e41f296f01cc5437ffdf3 [0,0,0,0,2,0|2,0,0]=4 5630 B17R3.8685 c1ccn2nc(cc2c1)NC3CCCC3 1f4e6f228bec2b4f7694d96a13ed8ee0 [0,0,0,0,2,0|2,0,0]=4 5631 B17R3.8685 c1ccn2nc(nc2c1)NC3CCCC3 f889e178734c866ce435be212d36a3bb [0,0,0,0,2,0|2,0,0]=4 5632 B17R3.8685 c1cnc2nc([nH]c2c1)NC3CCCC3 9ff7907273c3ec02310778db3c4e066b [0,0,0,0,2,0|2,0,0]=4 5633 B17R3.8685 c1cnc2nc(oc2c1)NC3CCCC3 052f40d0f18dd6057dd1bd2cbc728166 [0,0,0,0,2,0|1,1,0]=4 5634 B17R3.8685 c1cnc2nc(sc2c1)NC3CCCC3 211c2c0c02b4b126fec07ddb68d04f32 [0,0,0,0,2,0|1,0,0]=3 5635 B17R3.8685 c1cnc2oc(nc2c1)NC3CCCC3 0aa3aee7e21d730b4a5b4a1a2d7fb654 [0,0,0,0,2,0|1,1,0]=4 5636 B17R3.8685 c1cnc2sc(nc2c1)NC3CCCC3 190a97865054c2bfd6aae6c274be1bc0 [0,0,0,0,2,0|1,0,0]=3 5637 B17R3.8685 c1cnc2sc(nc2n1)NC3CCCC3 ee578e725b4f238ca4544c339907f028 [0,0,0,0,2,0|2,0,0]=4 5638 B17R3.123689 c1ccc2[nH]c(nc2c1)CNC3CCC3 2a65646b6102af66331275b31aeaff46 [0,0,0,0,2,0|2,0,0]=4 5639 B17R3.123689 c1ccc2oc(nc2c1)CNC3CCC3 3e010b614702d1d08a6e00b598087d32 [0,0,0,0,2,0|1,1,0]=4 5640 B17R3.123689 c1ccc2sc(cc2c1)CNC3CCC3 8229404be9c49c2ec39106db4ac20bcc [0,0,0,0,2,0|2,0,0]=4 5641 B17R3.123689 c1ccc2sc(nc2c1)CNC3CCC3 d62f61e1ba05229cc374db668006efd3 [0,0,0,0,2,0|1,0,0]=3 5642 B17R3.123689 c1ccc2sc(nc2c1)CNC3COC3 8256ed21326dcc34d66e06695190861e [0,0,0,0,2,0|2,0,0]=4 5643 B17R3.123689 c1ccc2sc(nc2c1)COC3CCC3 2ffff6b46a4d30e8ae75ed7f3838c3da [0,0,0,0,2,0|2,0,0]=4 5644 B17R3.123689 c1ccc2sc(nc2c1)NCC3CCC3 31b80d4dd1fbe2fff2578cc79a27901e [0,0,0,0,2,0|2,0,0]=4 5645 B17R3.123689 c1ccc2sc(nc2c1)OCC3CCC3 721ef069e8b6120a0277068e95be76a1 [0,0,0,0,2,0|1,1,0]=4 5646 B17R3.123689 c1ccc2sc(nc2c1)SCN3CCC3 cc094546b9d8ccdc8c265c1c047a89f4 [0,0,0,0,2,0|2,0,0]=4 5647 B19R2.1477 CCCCC(C)NCc1cc2ccccc2cn1 fb898bf478aefa02e9adaaab35c54f5a [0,0,1,0,0,1|2,0,0]=4 5648 B19R2.1477 CCCCC(C)NCc1ccc2ccccc2n1 9183250add544c1aca25fd16986bd89d [0,0,1,0,0,1|2,0,0]=4 5649 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2c1 6c3b66da1757f68f0626873af13ba898 [0,0,1,0,0,1|2,0,0]=4 5650 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2n1 bc9832f9bed6db241922e3cb49695139 [0,0,1,0,0,1|2,0,0]=4 5651 B19R2.1477 CCCCC(C)NCc1ncc2ccccc2n1 9673a2b6421865e0c70c3088fb8c9f0c [0,0,1,0,0,1|2,0,0]=4 5652 B19R2.1477 CCCC[C@@H](C)NCc1cc2ccccc2cn1 55e331ee12609ca39e27707171940e5f [0,0,1,0,0,1|2,0,0]=4 5653 B19R2.1477 CCCC[C@@H](C)NCc1ccc2ccccc2n1 e3d4694da7238e966863f11606c4a8cb [0,0,1,0,0,1|2,0,0]=4 5654 B19R2.1477 CCCC[C@@H](C)NCc1cnc2ccccc2c1 cc3f106641ba95df8bd1991e503ed922 [0,0,1,0,0,1|2,0,0]=4 5655 B19R2.1477 CCCC[C@@H](C)NCc1cnc2ccccc2n1 c1475e08199ad608d5cff751cb74db94 [0,0,1,0,0,1|2,0,0]=4 5656 B19R2.1477 CCCC[C@@H](C)NCc1ncc2ccccc2n1 1e23c86812c9701b41b5f351f33d5205 [0,0,1,0,0,1|2,0,0]=4 5657 B19R2.4713 CCCC(CC)NCc1cc2ccccc2cn1 71ee14b83011d645111fd0c0a50e8428 [0,0,1,0,0,1|2,0,0]=4 5658 B19R2.4713 CCCC(CC)NCc1ccc2ccccc2n1 4a7b0e42246d00712033db240365d50e [0,0,1,0,0,1|2,0,0]=4 5659 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2c1 bc3a028324e8c77e8f9affd837eebaf4 [0,0,1,0,0,1|2,0,0]=4 5660 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2n1 815c8c261d4a027bcc27eaca07d93407 [0,0,1,0,0,1|2,0,0]=4 5661 B19R2.4785 CCC(CC#N)NCSc1nc2ccccc2s1 48083d6c7e9ea3c7db15643bc96ed034 [0,0,1,0,0,1|1,0,1]=4 5662 B19R2.4785 CCC(COC)NCSc1nc2ccccc2s1 e80008028b64513a68b2db82b22ae5aa [0,0,1,0,0,1|1,0,0]=3 5663 B19R2.4785 CCC(COC)OCSc1nc2ccccc2s1 2c393420f71c02f5b83f614ab2dcb63a [0,0,1,0,0,1|2,0,0]=4 5664 B19R2.4785 CCC(CSC)OCSc1nc2ccccc2s1 3174bb838f0eaaca5b447d91998f2f99 [0,0,1,0,0,1|2,0,0]=4 5665 B19R2.4785 CCCC(CC)COCc1nc2ccccc2s1 1de035c2c6f889e27b7110673fd37da3 [0,0,1,0,0,1|1,1,0]=4 5666 B19R2.4785 CCCC(CC)NCCc1cc2ccccc2s1 419c2eb6cce0b729d055268e7731a697 [0,0,1,0,0,1|2,0,0]=4 5667 B19R2.4785 CCCC(CC)NCCc1nc2ccccc2[nH]1 1787866fe89f40dc3efb3809485fceb4 [0,0,1,0,0,1|2,0,0]=4 5668 B19R2.4785 CCCC(CC)NCCc1nc2ccccc2s1 89ef92b671d349323cfd136c6b023502 [0,0,1,0,0,1|1,0,0]=3 5669 B19R2.4785 CCCC(CC)OCSc1nc2ccccc2s1 8db026e7b2117a4abbb8333adc9bba13 [0,0,1,0,0,1|1,0,0]=3 5670 B19R2.4785 CCCC(CO)NCSc1nc2ccccc2s1 aba8c0ca0440590ddcd6dbf3573bd3d1 [0,0,1,0,0,1|1,0,0]=3 5671 B19R2.4785 CCC[C@@H](CC)OCSc1nc2ccccc2s1 356def2699d3a050e35d309c4175fdd6 [0,0,1,0,0,1|1,0,0]=3 5672 B19R2.4785 CCC[C@@H](CO)NCSc1nc2ccccc2s1 dedea93d1cfac7430f100e48f208c7bc [0,0,1,0,0,1|1,0,0]=3 5673 B19R2.4785 CCC[C@H](CO)NCSc1nc2ccccc2s1 c6e24c6d24c19183aafb62403154ac80 [0,0,1,0,0,1|1,0,0]=3 5674 B19R2.4785 CCOC(CC)CNCc1nc2ccccc2s1 ebfe8964a7f07e90daa31832d2f8b42f [0,0,1,0,0,1|2,0,0]=4 5675 B19R2.4785 CC[C@@H](CC#N)NCSc1nc2ccccc2s1 780451700e171cf942f22bb743569460 [0,0,1,0,0,1|1,0,1]=4 5676 B19R2.4785 CC[C@H](CC#N)NCSc1nc2ccccc2s1 900b6ccd3571c030f5cef42e115cad4b [0,0,1,0,0,1|1,0,1]=4 5677 B19R2.4785 COCC(CO)NCSc1nc2ccccc2s1 577d2062d76d48e98cbeed83f8248534 [0,0,1,0,0,1|2,0,0]=4 5678 B19R2.4785 CSCC(CO)NCSc1nc2ccccc2s1 b1f0c506af5f6a869a27e929ef9514c0 [0,0,1,0,0,1|2,0,0]=4 5679 B19R2.4785 OCCC(CO)NCSc1nc2ccccc2s1 2b76447d79c8e6fa646e9896b273c68a [0,0,1,0,0,1|2,0,0]=4 5680 B19R2.4785 OCC[C@H](CO)NCSc1nc2ccccc2s1 f217c4b84f40039b70a39e595cbc6d5b [0,0,1,0,0,1|2,0,0]=4 5681 B19R2.1289 CCCCCCNCc1cc2ccccc2cn1 08dbc396137815e7b5b1bb91752bb705 [0,0,1,0,0,1|2,0,0]=4 5682 B19R2.1289 CCCCCCNCc1ccc2ccccc2n1 773be6ad04f42925e0c0d28271c0c7bb [0,0,1,0,0,1|2,0,0]=4 5683 B19R2.1289 CCCCCCNCc1cnc2ccccc2c1 ec8d1eb9584dc474288348d1e359d25a [0,0,1,0,0,1|2,0,0]=4 5684 B19R2.1289 CCCCCCNCc1cnc2ccccc2n1 8e407bc84fcae4496b323b2cfff52543 [0,0,1,0,0,1|2,0,0]=4 5685 B19R2.1289 CCCCCCNCc1ncc2ccccc2n1 889da5a5a53142a82a3f2f87ab85b827 [0,0,1,0,0,1|2,0,0]=4 5686 B19R3.62425 c1ccc2cc(ncc2c1)CNC3CCCC3 7479023af969100d6944c11ef8842935 [0,0,0,0,1,1|2,0,0]=4 5687 B19R3.62425 c1ccc2nc(ccc2c1)CNC3CCCC3 76f3ad20de4b7549d9ff4f847816ed2d [0,0,0,0,1,1|2,0,0]=4 5688 B19R3.62425 c1ccc2nc(cnc2c1)CNC3CCCC3 2d0f0bae2025361f886b323c0d1ee35f [0,0,0,0,1,1|2,0,0]=4 5689 B19R3.62425 c1ccc2nc(ncc2c1)CNC3CCCC3 590818fec3b0d17c3b2e9234e341d208 [0,0,0,0,1,1|2,0,0]=4 5690 B19R3.62425 c1ccc2ncc(cc2c1)CNC3CCCC3 50f4a1c5612d60e5af74110520904a37 [0,0,0,0,1,1|2,0,0]=4 5691 B19R3.19331 c1ccc-2cc(cc2cc1)NC3CCCCC3 d35582f30927120a7cb9dc675e9137de [0,0,0,0,1,1|2,0,0]=4 5692 B21R3.47750 c1ccc2cc(ncc2c1)CNCC3CCCCC3 704478c103055f9c1da256ecbdc74291 [0,0,0,0,0,2|2,0,0]=4 5693 B21R3.47750 c1ccc2nc(ccc2c1)CCNC3CCCCC3 6fbb3dac9027ca2f874dce285982a1bd [0,0,0,0,0,2|2,0,0]=4 5694 B21R3.47750 c1ccc2nc(ccc2c1)CNCC3CCCCC3 8e16aabe96e344a40ebf3b545c58dd34 [0,0,0,0,0,2|2,0,0]=4 5695 B21R3.47750 c1ccc2nc(cnc2c1)CNCC3CCCCC3 68387e2dd805e559fe920fa08d3ebb35 [0,0,0,0,0,2|2,0,0]=4 5696 B21R3.47750 c1ccc2nc(ncc2c1)CNCC3CCCCC3 38a30dff48762603d3a294d8e25a76d5 [0,0,0,0,0,2|2,0,0]=4 5697 B21R3.47750 c1ccc2ncc(cc2c1)CNCC3CCCCC3 ccffb90fc7def08b79eb67892eea12bd [0,0,0,0,0,2|2,0,0]=4 5698 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCCCC3 a3f3e2b9b65022e54309d90da704d9d7 [0,0,0,0,0,2|2,0,0]=4 5699 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCOCC3 a6faeef5e82aa943c45e45b4c194ec58 [0,0,0,0,0,2|2,0,0]=4 5700 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 030165b999c2066d7de1177bf6b5cbd1 [0,0,0,0,0,2|2,0,0]=4 5701 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCOCC3 2bdcfb0bb418050df2524eeb466b0708 [0,0,0,0,0,2|2,0,0]=4 5702 B21R3.2154364 c1ccc2nc(cnc2c1)CNC3CCCCCC3 3216333fd64a4365778abe2fda9f1542 [0,0,0,0,0,2|2,0,0]=4 5703 B21R3.2154364 c1ccc2nc(cnc2c1)CNC3CCCOCC3 8eba58b0d68be17b874ebc2185ce3ed8 [0,0,0,0,0,2|2,0,0]=4 5704 B21R3.2154364 c1ccc2nc(ncc2c1)CNC3CCCCCC3 83f9696c4cdae2781f1034de4d29a01f [0,0,0,0,0,2|2,0,0]=4 5705 B21R3.2154364 c1ccc2nc(ncc2c1)CNC3CCCOCC3 4b5048b9f38ab78b9cc8d8f055c5354f [0,0,0,0,0,2|2,0,0]=4 5706 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCCCC3 625d7fad9f4a9079100006ae7bdc4b8b [0,0,0,0,0,2|2,0,0]=4 5707 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCOCC3 8b8112f5cd9a7739af0a2f120c4d3b84 [0,0,0,0,0,2|2,0,0]=4 5708 B21R3.2154278 C1=CCCC(CC1)NCSc2nc3ccccc3s2 4cb5a75bcdf8ebd35d3f8161d8e1760d [0,0,0,0,0,2|0,0,1]=3 5709 B21R3.2154278 c1ccc2[nH]c(nc2c1)CCNC3CCCCCC3 2824de5cdc015c59796b33246117aea0 [0,0,0,0,0,2|2,0,0]=4 5710 B21R3.2154278 c1ccc2[nH]c(nc2c1)CCNC3CCCOCC3 ba2d01958aa34363c35d05e5f2e315f4 [0,0,0,0,0,2|2,0,0]=4 5711 B21R3.2154278 c1ccc2[nH]c(nc2c1)CNCC3CCCCCC3 1c359eb0e2ec297e9ffa8889c48e7257 [0,0,0,0,0,2|2,0,0]=4 5712 B21R3.2154278 c1ccc2oc(nc2c1)CNCC3CCCCCC3 8be4e0d79c806ae21550288d67cd00e3 [0,0,0,0,0,2|1,1,0]=4 5713 B21R3.2154278 c1ccc2sc(cc2c1)CCNC3CCCCCC3 bdd5d6ae9b609f759e5bf7622278f93d [0,0,0,0,0,2|2,0,0]=4 5714 B21R3.2154278 c1ccc2sc(cc2c1)CCNC3CCCOCC3 56db4a0ec0797e73aead2f44af242c77 [0,0,0,0,0,2|2,0,0]=4 5715 B21R3.2154278 c1ccc2sc(cc2c1)CNCC3CCCCCC3 e4809d6ae82617db49192d1919d897c6 [0,0,0,0,0,2|2,0,0]=4 5716 B21R3.2154278 c1ccc2sc(nc2c1)CCOC3CCCCCC3 1e59955efa9ca0c19408ae62b22cb10a [0,0,0,0,0,2|2,0,0]=4 5717 B21R3.2154278 c1ccc2sc(nc2c1)CCOC3CCCOCC3 8053d120c4018f67a87b3bad05fd18df [0,0,0,0,0,2|2,0,0]=4 5718 B21R3.2154278 c1ccc2sc(nc2c1)CNCC3CCCCCC3 dc77c5921d19516edc58dc67d78bbf6b [0,0,0,0,0,2|1,0,0]=3 5719 B21R3.2154278 c1ccc2sc(nc2c1)CNCC3COCCOC3 a558ec9de9851c68b9bd86b2f2ad69c7 [0,0,0,0,0,2|2,0,0]=4 5720 B21R3.2154278 c1ccc2sc(nc2c1)COCC3CCCCCC3 11cd03329f82e2d430c230ea3517179e [0,0,0,0,0,2|1,1,0]=4 5721 B21R3.2154278 c1ccc2sc(nc2c1)SCNC3CCCCCC3 6e3020f34635fb6fa2a605ba6dd745cf [0,0,0,0,0,2|0,0,0]=2 5722 B21R3.2154278 c1ccc2sc(nc2c1)SCNC3CCCOCC3 4347d86f540dca879fa1dd38f020efdb [0,0,0,0,0,2|0,0,0]=2 5723 B21R3.2154278 c1ccc2sc(nc2c1)SCOC3CCCCCC3 b39f94fba0bfcf3ba6018acc095abfa4 [0,0,0,0,0,2|1,0,0]=3 5724 B21R3.2154278 c1ccc2sc(nc2c1)SCOC3CCCOCC3 9a97a3761435af2472a554478cf1a3c0 [0,0,0,0,0,2|1,0,0]=3 5725 B21R3.2154278 c1ccc2sc(nc2c1)SCOC3COCCOC3 635d7db0997c258ddb7e3f912066fa85 [0,0,0,0,0,2|2,0,0]=4 5726 B21R3.2429969 C1=C(CCCC1)CNCSc2nc3ccccc3s2 35e5eb588fa80ead21abfc61dec43caa [0,0,0,0,0,2|0,0,2]=4 5727 B21R3.2429969 C1=CCC(CC1)CNCSc2nc3ccccc3s2 32259ae1f44edec7d43c6d5422d2689f [0,0,0,0,0,2|0,0,2]=4 5728 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCCNC3CCCCC3 0ba6ef503b0a97f8c5725bafbf95695c [0,0,0,0,0,2|2,0,0]=4 5729 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCNCC3CCCCC3 255c292eab3c1e6a68faa5eccd530c16 [0,0,0,0,0,2|2,0,0]=4 5730 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCC3CCCCC3 768a3cf2159ef1b790927a000b855200 [0,0,0,0,0,2|2,0,0]=4 5731 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCOC3CCCCC3 292761c967548f83715fcc56ea5d685c [0,0,0,0,0,2|2,0,0]=4 5732 B21R3.2429969 c1ccc2oc(nc2c1)CCCNC3CCCCC3 fb407e4291149330948cfabee9d9abed [0,0,0,0,0,2|1,1,0]=4 5733 B21R3.2429969 c1ccc2oc(nc2c1)CNCCC3CCCCC3 52ad562f26a87361717a2e14cfedb3fd [0,0,0,0,0,2|1,1,0]=4 5734 B21R3.2429969 c1ccc2oc(nc2c1)CNCOC3CCCCC3 a4fdb5e9511dd5be99e71cd0180f73aa [0,0,0,0,0,2|1,1,0]=4 5735 B21R3.2429969 c1ccc2oc(nc2c1)SCCOC3CCCCC3 01b8254582177c00b597e747a0dcaf95 [0,0,0,0,0,2|1,1,0]=4 5736 B21R3.2429969 c1ccc2sc(cc2c1)CCNCC3CCCCC3 e9b8b9051b06cacb3918f69fbb04730b [0,0,0,0,0,2|2,0,0]=4 5737 B21R3.2429969 c1ccc2sc(cc2c1)CNCCC3CCCCC3 807a5c4924dee0fe30462a1badc76428 [0,0,0,0,0,2|2,0,0]=4 5738 B21R3.2429969 c1ccc2sc(cc2c1)CNCOC3CCCCC3 732fe2ad1bd5fe8af55fb36713bf95bb [0,0,0,0,0,2|2,0,0]=4 5739 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCCCC3 2b86932dbfe9ec7a8aa3321b648bbc99 [0,0,0,0,0,2|1,0,0]=3 5740 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCCCO3 41d2e4c75a4f7550ddb941bfb2429812 [0,0,0,0,0,2|2,0,0]=4 5741 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCCOC3 c088d582402c817a0363849b7b27c079 [0,0,0,0,0,2|2,0,0]=4 5742 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCOCC3 7ffbd67d31093eb6b2758227179467fc [0,0,0,0,0,2|2,0,0]=4 5743 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCSCC3 1a134396a749650d6ae4244041bb7166 [0,0,0,0,0,2|2,0,0]=4 5744 B21R3.2429969 c1ccc2sc(nc2c1)CCOCC3CCCCC3 0dd71c5d8027a09afdc33fa83f62ba45 [0,0,0,0,0,2|1,1,0]=4 5745 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCC3 09f3501fec3a17d55c3b279180fdab08 [0,0,0,0,0,2|1,0,0]=3 5746 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCO3 fcc8f878fc92aff330a86ab75cf810bf [0,0,0,0,0,2|2,0,0]=4 5747 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCOC3 75632dabd7ab54b2dc8be52d56ab876d [0,0,0,0,0,2|2,0,0]=4 5748 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCOCC3 0dd374265b02ac0a19349d88c27ee89b [0,0,0,0,0,2|2,0,0]=4 5749 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCSCC3 44cd0cd68de67243a8dff1c49e71c7c0 [0,0,0,0,0,2|2,0,0]=4 5750 B21R3.2429969 c1ccc2sc(nc2c1)CNCCN3CCCCC3 29e236966413429c3e6c4ae1037b16a9 [0,0,0,0,0,2|2,0,0]=4 5751 B21R3.2429969 c1ccc2sc(nc2c1)CNCOC3CCCCC3 fab78ffc506da36d4db4d2ca321ab697 [0,0,0,0,0,2|1,0,0]=3 5752 B21R3.2429969 c1ccc2sc(nc2c1)COCCC3CCCCC3 c93356809f708e8b982bc50794824717 [0,0,0,0,0,2|1,1,0]=4 5753 B21R3.2429969 c1ccc2sc(nc2c1)COCOC3CCCCC3 1c1130ebcf2ff44074cbf27b00bfa2cb [0,0,0,0,0,2|1,1,0]=4 5754 B21R3.2429969 c1ccc2sc(nc2c1)NCCCC3CCCCC3 a4f22f7e44e76a8275778158f93fd2c6 [0,0,0,0,0,2|2,0,0]=4 5755 B21R3.2429969 c1ccc2sc(nc2c1)NCCOC3CCCCC3 4a74157ee49660524003bdbbf01f0c36 [0,0,0,0,0,2|2,0,0]=4 5756 B21R3.2429969 c1ccc2sc(nc2c1)OCCCC3CCCCC3 ec4cecb06ddfb11854ad3789ab0b0853 [0,0,0,0,0,2|1,1,0]=4 5757 B21R3.2429969 c1ccc2sc(nc2c1)OCCOC3CCCCC3 d3a26d41302155ef962b5217ed5af0cb [0,0,0,0,0,2|1,1,0]=4 5758 B21R3.2429969 c1ccc2sc(nc2c1)SCCOC3CCCCC3 b879a4344c89d41991e4439afbd6d672 [0,0,0,0,0,2|1,0,0]=3 5759 B21R3.2429969 c1ccc2sc(nc2c1)SCCOC3CCOCC3 8476aa95f56dfc5bf036f2efe0d1f2e2 [0,0,0,0,0,2|2,0,0]=4 5760 B21R3.2429969 c1ccc2sc(nc2c1)SCCOC3CCSCC3 d92077074492a5162fd5ea3d3a455811 [0,0,0,0,0,2|2,0,0]=4 5761 B21R3.2429969 c1ccc2sc(nc2c1)SCNCC3CCCCO3 47d2a5edfd975b4f4e5b13a55d2a7427 [0,0,0,0,0,2|1,0,0]=3 5762 B21R3.2429969 c1ccc2sc(nc2c1)SCNCC3CCOCC3 ac82be8dcbaa9b6ed62cd34d7f6f9260 [0,0,0,0,0,2|1,0,0]=3 5763 B21R3.2429969 c1ccc2sc(nc2c1)SCNCC3COCCO3 69e55d1d6c2256f62bad2e7be89832c9 [0,0,0,0,0,2|2,0,0]=4 5764 B21R3.2429969 c1ccc2sc(nc2c1)SCNC[C@H]3COCCO3 59b2ad2d79a9bf2207f06cb814925524 [0,0,0,0,0,2|2,0,0]=4 5765 B21R3.2429969 c1ccc2sc(nc2c1)SCOCC3CCCCC3 012145cbcc3aed6faf943636ef818757 [0,0,0,0,0,2|1,0,0]=3 5766 B21R3.2429969 c1ccc2sc(nc2c1)SCOCC3CCCCO3 f5a44a2fb8fdbcb3bbf9193761ba1803 [0,0,0,0,0,2|2,0,0]=4 5767 B21R3.2429969 c1ccc2sc(nc2c1)SCOCC3CCCOC3 9e70e9b8c4cc98ed0da54a73d49072d5 [0,0,0,0,0,2|2,0,0]=4 5768 B21R3.2429969 c1ccc2sc(nc2c1)SCOCC3CCOCC3 693a6cc3b7170dfac8482edfdd58c128 [0,0,0,0,0,2|2,0,0]=4 5769 B21R3.2429969 c1ccc2sc(nc2c1)SCOC[C@@H]3CCCCO3 86ed86e1b9ccd6ca9f0d1bfd0a5f0673 [0,0,0,0,0,2|2,0,0]=4 5770 B21R3.2429969 c1ccc2sc(nc2c1)SCOC[C@@H]3CCCOC3 6718ffbf157cd044e0b9b88595dac6b6 [0,0,0,0,0,2|2,0,0]=4 5771 B21R3.2429969 c1ccc2sc(nc2c1)SCOC[C@H]3CCCCO3 d7fb4e9df8c92ac13351b65beb0ee1ee [0,0,0,0,0,2|2,0,0]=4 5772 B21R3.2429969 c1ccc2sc(nc2c1)SCOC[C@H]3CCCOC3 8b7f071b593c0fa362fb47bf2dce1a87 [0,0,0,0,0,2|2,0,0]=4 5773 B21R3.2154918 C1=CC(CCCCC1)OCc2nc3ccccc3s2 f779387a0d1e07013f0aa952d02f026f [0,0,0,0,0,2|2,0,0]=4 5774 B21R3.2154918 C1=CCCC(CCC1)OCc2nc3ccccc3s2 a024477f3f9f6143295d6a746d4e4a26 [0,0,0,0,0,2|2,0,0]=4 5775 B21R3.2154918 C1=CCC[C@H](CCC1)OCc2nc3ccccc3s2 4568f0f350b1360027a971a0bbb74411 [0,0,0,0,0,2|2,0,0]=4 5776 B21R3.2154918 C\1=C/C(CCCCC1)OCc2nc3ccccc3s2 bca975e4023e0caa5bf36f0422aa33c3 [0,0,0,0,0,2|2,0,0]=4 5777 B21R3.2154918 C\1=C/CCC(CCC1)OCc2nc3ccccc3s2 8ff16d5602529fa04a736a51f5c40206 [0,0,0,0,0,2|2,0,0]=4 5778 B21R3.2154918 C\1=C/[C@@H](CCCCC1)OCc2nc3ccccc3s2 a22a2cd3b46a38dff6fae352b82166a4 [0,0,0,0,0,2|2,0,0]=4 5779 B21R3.2154918 C\1=C\C(CCCCC1)NCc2cc3ccccc3s2 783c0d7e15fd8f7467ceeadd13d239e5 [0,0,0,0,0,2|2,0,0]=4 5780 B21R3.2154918 C\1=C\C(CCCCC1)NCc2nc3ccccc3[nH]2 c6257d9a6b974ab5e123d407081f7ffb [0,0,0,0,0,2|2,0,0]=4 5781 B21R3.2154918 C\1=C\C(CCCCC1)NCc2nc3ccccc3o2 fc3cab254d03276d2fa8fa0b6ddaaa3f [0,0,0,0,0,2|1,1,0]=4 5782 B21R3.2154918 C\1=C\C(CCCCC1)NCc2nc3ccccc3s2 ae1f7dd6a80d3fe3419339cc2594438a [0,0,0,0,0,2|1,0,0]=3 5783 B21R3.2154918 C\1=C\C(CCCCC1)OCc2nc3ccccc3s2 0041d22e819d9dd3be1b57c5681dceec [0,0,0,0,0,2|2,0,0]=4 5784 B21R3.2154918 C\1=C\CCC(CCC1)NCc2cc3ccccc3s2 821ae201042a3043f8d877a374a7e2db [0,0,0,0,0,2|2,0,0]=4 5785 B21R3.2154918 C\1=C\CCC(CCC1)NCc2nc3ccccc3[nH]2 97f11a3b3065af476d38930659fa20e5 [0,0,0,0,0,2|2,0,0]=4 5786 B21R3.2154918 C\1=C\CCC(CCC1)NCc2nc3ccccc3o2 fe397133cda0dc23ec32ee2eb5917a58 [0,0,0,0,0,2|1,1,0]=4 5787 B21R3.2154918 C\1=C\CCC(CCC1)NCc2nc3ccccc3s2 d0d05126b9681c0f6cc45e955d200ad6 [0,0,0,0,0,2|1,0,0]=3 5788 B21R3.2154918 C\1=C\CCC(CCC1)OCc2nc3ccccc3s2 d6bc4d10f5c54be38659a16006a320dc [0,0,0,0,0,2|2,0,0]=4 5789 B21R3.2154918 C\1=C\[C@@H](CCCCC1)OCc2nc3ccccc3s2 0ba39da8967712308845bfcea6aceae7 [0,0,0,0,0,2|2,0,0]=4 5790 B21R3.2154918 c1ccc2[nH]c(nc2c1)CNC3CCCCCCC3 6c17139bf8fbff6fb09c1b6fd7adac0f [0,0,0,0,0,2|2,0,0]=4 5791 B21R3.2154918 c1ccc2oc(nc2c1)CNC3CCCCCCC3 dd25873f0f3daa021a3c8e85366995e0 [0,0,0,0,0,2|1,1,0]=4 5792 B21R3.2154918 c1ccc2sc(nc2c1)CNC3CCCCCCC3 9e03f42a93306191a0e2c93fd222abb7 [0,0,0,0,0,2|1,0,0]=3 5793 B21R3.2154918 c1ccc2sc(nc2c1)COC3CCCCCCC3 d30411af52e1d094ea47f4959c5eeb36 [0,0,0,0,0,2|2,0,0]=4 5794 B21R3.2154918 c1ccc2sc(nc2c1)SCN3CCCCCCC3 ac20633aefb0c5b1c8d3d76790c9bd8f [0,0,0,0,0,2|2,0,0]=4