0 B16R3.5988 c1cc(ccn1)c2cn3c(n2)CCC3 ed4b32bd062624d7836219e0e4d3b0df [0,0,0,0,0,0|2,0,2]=4 1 B16R3.5988 c1cc(ccn1)c2nc3n(n2)CCC3 ecd20983b38053a6de0f72bb6430921e [0,0,0,0,0,0|3,0,1]=4 2 B16R3.5988 c1ccc(cc1)c2cc3n(n2)CCC3 4a74f25512ce443bd313cb42cd53bb10 [0,0,0,0,0,0|3,0,1]=4 3 B16R3.5988 c1ccc(cc1)c2cn3c(n2)CCC3 f7aca585cf8f163387af3f88245077a6 [0,0,0,0,0,0|1,0,2]=3 4 B16R3.5988 c1ccc(cc1)c2cn3ccsc3n2 e402469650f7a08da92d1ab7b8ebf8b6 [0,0,0,0,0,0|0,0,4]=4 5 B16R3.5988 c1ccc(cc1)c2nc3c(s2)CCC3 e11a6b399af35b0d77d03a814997bed5 [0,0,0,0,0,0|3,0,1]=4 6 B16R3.5988 c1ccc(cc1)c2nc3n(n2)CCC3 cf3bb0e5686ad50625824383c9e995e6 [0,0,0,0,0,0|2,0,1]=3 7 B16R3.5988 c1ccc(nc1)c2cn3c(n2)CCC3 716a7f26c4e6176251f6eae134c6adb4 [0,0,0,0,0,0|2,0,2]=4 8 B16R3.5988 c1ccc(nc1)c2nc3n(n2)CCC3 310c21049e51e5b589527efdfa342e75 [0,0,0,0,0,0|3,0,1]=4 9 B16R3.5988 c1cncc(c1)c2cn3c(n2)CCC3 bf9c565c5d62a8c4b072a2556bb664e9 [0,0,0,0,0,0|2,0,2]=4 10 B16R3.5988 c1cncc(c1)c2nc3n(n2)CCC3 8430e9331f2e0daddb115c29f17c1c5e [0,0,0,0,0,0|3,0,1]=4 11 B17R3.17867 Brc1ccc(cc1)c2cn3c(n2)CCC3 9cf63a9cec6135234fe51698c0b367b4 [0,1,0,0,0,0|1,0,2]=4 12 B17R3.17867 Brc1ccc(cc1)c2nc3n(n2)CCC3 78f5fc8e7893be1710a88b0e62fb90bc [0,1,0,0,0,0|2,0,1]=4 13 B17R3.17867 Cc1ccc(cc1)c2cn3c(n2)CCC3 191f01553a7f4165a266b1fa56f22159 [0,1,0,0,0,0|1,0,2]=4 14 B17R3.17867 Cc1ccc(cc1)c2nc3n(n2)CCC3 0191984b3a066b08a6bd577017a1b17b [0,1,0,0,0,0|2,0,1]=4 15 B17R3.17867 Clc1ccc(cc1)c2cn3c(n2)CCC3 bbfec7b1d7bb7091b09b7c3dc8433688 [0,1,0,0,0,0|1,0,2]=4 16 B17R3.17867 Clc1ccc(cc1)c2nc3n(n2)CCC3 c37bcfac737d8d4e0c7218e4f3eae691 [0,1,0,0,0,0|2,0,1]=4 17 B17R3.17867 Fc1ccc(cc1)c2cn3c(n2)CCC3 cfbd7dff9cb6428d9bdce5a4d67a49ac [0,1,0,0,0,0|1,0,2]=4 18 B17R3.17867 Fc1ccc(cc1)c2nc3n(n2)CCC3 b27a9dc7f3937d4f916c9b3534223932 [0,1,0,0,0,0|2,0,1]=4 19 B17R3.17867 Ic1ccc(cc1)c2cn3c(n2)CCC3 9451f1c348f2c7ab79e46b6a20f2ceea [0,1,0,0,0,0|1,0,2]=4 20 B17R3.17867 Ic1ccc(cc1)c2nc3n(n2)CCC3 df77214bb61f6aa1c01bdc348539423d [0,1,0,0,0,0|2,0,1]=4 21 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)CCC3 fb22136959422e244e5b0271af24147a [0,1,0,0,0,0|1,0,2]=4 22 B17R3.17867 Oc1ccc(cc1)c2nc3n(n2)CCC3 7a42c40c270995bef2cb0df2c2ddcd22 [0,1,0,0,0,0|2,0,1]=4 23 B17R3.17867 Sc1ccc(cc1)c2cn3c(n2)CCC3 1025f1670ab467bc01d8342f0fd5ba5b [0,1,0,0,0,0|1,0,2]=4 24 B17R3.17867 Sc1ccc(cc1)c2nc3n(n2)CCC3 4a40c175ad3e9967fd34ff1479bc7f0d [0,1,0,0,0,0|2,0,1]=4 25 B17R3.18290 Brc1cccc(c1)c2cn3c(n2)CCC3 cab2f35180a3713c0c637dc925dd362a [0,1,0,0,0,0|1,0,2]=4 26 B17R3.18290 Brc1cccc(c1)c2nc3n(n2)CCC3 20d48d9335924e28984a7e9c01231778 [0,1,0,0,0,0|2,0,1]=4 27 B17R3.18290 Cc1cccc(c1)c2cn3c(n2)CCC3 dab692920e60a09b4ade0ad2ca169c8f [0,1,0,0,0,0|1,0,2]=4 28 B17R3.18290 Cc1cccc(c1)c2nc3n(n2)CCC3 652793342717576a48cab09b2019f299 [0,1,0,0,0,0|2,0,1]=4 29 B17R3.18290 Clc1cccc(c1)c2cn3c(n2)CCC3 f57895dbb78be2d70b93fedbf5e5adc0 [0,1,0,0,0,0|1,0,2]=4 30 B17R3.18290 Clc1cccc(c1)c2nc3n(n2)CCC3 d61f74a17969644bb8db9ebc0dcb2a82 [0,1,0,0,0,0|2,0,1]=4 31 B17R3.18290 Fc1cccc(c1)c2cn3c(n2)CCC3 da4dd51719071d68dc9b5d4cc8d51e59 [0,1,0,0,0,0|1,0,2]=4 32 B17R3.18290 Fc1cccc(c1)c2nc3n(n2)CCC3 6319781c4088248ac3a08d3c17b8bbbc [0,1,0,0,0,0|2,0,1]=4 33 B17R3.18290 Ic1cccc(c1)c2cn3c(n2)CCC3 1dfeba5fd975d976ffba03ae65401d26 [0,1,0,0,0,0|1,0,2]=4 34 B17R3.18290 Ic1cccc(c1)c2nc3n(n2)CCC3 36ab729b18c3d44944a33fec83e514a8 [0,1,0,0,0,0|2,0,1]=4 35 B17R3.18290 Oc1cccc(c1)c2cn3c(n2)CCC3 422fcf99da8a9aace056ffb1273a8cfa [0,1,0,0,0,0|1,0,2]=4 36 B17R3.18290 Oc1cccc(c1)c2nc3n(n2)CCC3 7fd35d3e5b8c20b302a9bef96e1f668b [0,1,0,0,0,0|2,0,1]=4 37 B17R3.18290 Sc1cccc(c1)c2cn3c(n2)CCC3 d2f13cd389cee420cb47591fd9c99e39 [0,1,0,0,0,0|1,0,2]=4 38 B17R3.18290 Sc1cccc(c1)c2nc3n(n2)CCC3 a341c9b26c4db0e5257f1c275278b9da [0,1,0,0,0,0|2,0,1]=4 39 B17R3.27352 Brc1ccccc1c2cn3c(n2)CCC3 91431d54b5a943c3753c5b01a8ef30bc [0,1,0,0,0,0|1,0,2]=4 40 B17R3.27352 Brc1ccccc1c2nc3n(n2)CCC3 f221f7a1aaa3641339fec3f74ad72d83 [0,1,0,0,0,0|2,0,1]=4 41 B17R3.27352 Cc1ccccc1c2cn3c(n2)CCC3 ec34bdccc63f07b079fae041713dc1a2 [0,1,0,0,0,0|1,0,2]=4 42 B17R3.27352 Cc1ccccc1c2nc3n(n2)CCC3 720a1996ce0030f6b4906241add801fc [0,1,0,0,0,0|2,0,1]=4 43 B17R3.27352 Clc1ccccc1c2cn3c(n2)CCC3 b5224b00857c9e7255c1a0cdf6c109c9 [0,1,0,0,0,0|1,0,2]=4 44 B17R3.27352 Clc1ccccc1c2nc3n(n2)CCC3 f874c692665899c01400428950afc815 [0,1,0,0,0,0|2,0,1]=4 45 B17R3.27352 Fc1ccccc1c2cn3c(n2)CCC3 5b169114d5a221fc5aeb6fc34082401c [0,1,0,0,0,0|1,0,2]=4 46 B17R3.27352 Fc1ccccc1c2nc3n(n2)CCC3 a47d8bbe7fb7a8b39b68cabe42bf6d16 [0,1,0,0,0,0|2,0,1]=4 47 B17R3.27352 Ic1ccccc1c2cn3c(n2)CCC3 3e89767c7895cd01f3459ccdc8643684 [0,1,0,0,0,0|1,0,2]=4 48 B17R3.27352 Ic1ccccc1c2nc3n(n2)CCC3 8a99cc6578b50fb40461c95500c6611c [0,1,0,0,0,0|2,0,1]=4 49 B17R3.27352 Oc1ccccc1c2cn3c(n2)CCC3 92315a75bf56a61ceeb7d1220197c0d9 [0,1,0,0,0,0|1,0,2]=4 50 B17R3.27352 Oc1ccccc1c2nc3n(n2)CCC3 619607080f52e91694affcdc7dc3b144 [0,1,0,0,0,0|2,0,1]=4 51 B15R2.55 CC1CCCN1CCc2ccccc2 4c426ebd0811938ef9e4f7c6b3a40aa3 [0,0,1,0,0,0|2,0,1]=4 52 B15R2.55 CC1SCCN1CCc2ccccc2 20b3d318cfcbf6c5eba1ff4dd1b41c30 [0,0,1,0,0,0|1,0,1]=3 53 B15R2.55 CC1SCCN1CCc2ccccn2 38702175360c28355f29edec2b29b99a [0,0,1,0,0,0|2,0,1]=4 54 B15R2.55 CC1SCCN1CCc2cccnc2 ee8fed49616614a20fa46e2185d0269c [0,0,1,0,0,0|2,0,1]=4 55 B15R2.55 CC1SCCN1CCc2ccncc2 acfb04892770e8f6d0a507275abba3f0 [0,0,1,0,0,0|2,0,1]=4 56 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 e4ab94b0c277de6ade7f415ef0b1499a [0,0,1,0,0,0|2,0,1]=4 57 B15R2.55 C[C@H]1CCCN1CCc2ccccc2 119d58693540d96b827a1a4dcffeb498 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.55 O=C1CCCN1CNc2ccccc2 4dd832cc27709daaafdae29a614603a3 [0,0,1,0,0,0|3,0,0]=4 59 B15R2.55 O=C1SCCC1NCc2ccccc2 20237ec335a780c388b747f208d68022 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.55 OC1CCCN1CCc2ccccc2 77381d9fd48ef09a0d738f67539f0d27 [0,0,1,0,0,0|2,0,1]=4 61 B15R2.66 CCCN1CCC(C1)c2ccccc2 908897b71f846f3345594792b0d9c39b [0,0,1,0,0,0|2,0,1]=4 62 B15R2.66 CCCN1CC[C@@H](C1)c2ccccc2 9734db36e2c626dcf861d0304985f1de [0,0,1,0,0,0|2,0,1]=4 63 B15R2.66 CCCN1CC[C@H](C1)c2ccccc2 41475dfd8ce5ace01cd90b78737b81ae [0,0,1,0,0,0|2,0,1]=4 64 B15R2.66 CCCc1nc(n[nH]1)c2ccccc2 bd5ba44200d55d1108c4add7de7c7282 [0,0,1,0,0,0|2,0,1]=4 65 B15R2.66 CCCn1cnc(c1)c2ccccc2 8d30a9e0431d4183634e12e11fc04129 [0,0,1,0,0,0|1,0,2]=4 66 B15R2.66 CCSc1n[nH]c(n1)c2ccccc2 b36eb4df8b0d9bb58140dddfb5e81259 [0,0,1,0,0,0|1,0,2]=4 67 B15R2.66 FCCN1CCC(C1)c2ccccc2 d8b0c0f44ff8d0be754028c614cdb764 [0,0,1,0,0,0|2,0,1]=4 68 B15R2.66 FCCN1CC[C@@H](C1)c2ccccc2 7135f3df8bf75354430ea558430984ad [0,0,1,0,0,0|2,0,1]=4 69 B15R2.66 FCCN1CC[C@H](C1)c2ccccc2 9dcf4bb4b289413afc6f10f6d7602e28 [0,0,1,0,0,0|2,0,1]=4 70 B15R2.66 OCCN1CCC(C1)c2ccccc2 46953f7b39c72f6392b9874ecd90e66c [0,0,1,0,0,0|1,1,1]=4 71 B15R2.66 OCCN1CC[C@@H](C1)c2ccccc2 cb56041aeef34ee9553049a96782d9bb [0,0,1,0,0,0|1,1,1]=4 72 B15R2.66 OCCN1CC[C@H](C1)c2ccccc2 eb48eaefaa09d8fe7752011c6ceefdb3 [0,0,1,0,0,0|1,1,1]=4 73 B15R2.66 OCCn1cnc(n1)c2ccccc2 58344a13286901b05444390de6770d99 [0,0,1,0,0,0|1,1,1]=4 74 B15R2.66 SCCN1CCC(C1)c2ccccc2 598bfbd884a4dc2508118eb63eaa65b8 [0,0,1,0,0,0|1,0,1]=3 75 B15R2.66 SCCN1CCC(C1)c2ccccn2 e955a5fd8040f8aaec26e5cc26600e6a [0,0,1,0,0,0|2,0,1]=4 76 B15R2.66 SCCN1CCC(C1)c2cccnc2 e2e87066b675e61f381fbd9839f37f00 [0,0,1,0,0,0|2,0,1]=4 77 B15R2.66 SCCN1CCC(C1)c2ccncc2 e466241426bd3bf02f5c05d4654bb8a5 [0,0,1,0,0,0|2,0,1]=4 78 B15R2.66 SCCN1CC[C@@H](C1)c2ccccc2 026740ec9e80fd81988219b9fa28df52 [0,0,1,0,0,0|1,0,1]=3 79 B15R2.66 SCCN1CC[C@H](C1)c2ccccc2 dc4f1f891e6b093137b956bbc5f42bf5 [0,0,1,0,0,0|1,0,1]=3 80 B15R2.1259 C=C(CN1CCSC1)c2ccccc2 164ef4fd6dd92da86beaedf97eb34ae6 [0,0,1,0,0,0|1,0,2]=4 81 B15R2.1259 CC(CN1CCSC1)c2ccccc2 ef6cadfb6137b41810c6fa44a74421c4 [0,0,1,0,0,0|1,0,1]=3 82 B15R2.1259 C[C@H](CN1CCSC1)c2ccccc2 c4265084e341d151e5314dfc2655e2e2 [0,0,1,0,0,0|1,0,1]=3 83 B15R2.1259 FC(CN1CCSC1)c2ccccc2 72839392c25942916caf3cc516bdce20 [0,0,1,0,0,0|1,0,1]=3 84 B15R2.1259 O=C(CN1CCSC1)c2ccccc2 f3b7efea220eef27d44bb0cbf8d5f963 [0,0,1,0,0,0|1,0,2]=4 85 B15R2.1259 O=S(CN1CCSC1)c2ccccc2 cff4ac01c710d441829fc3e175dfdc6e [0,0,1,0,0,0|2,0,1]=4 86 B15R2.1259 OC(CN1CCSC1)c2ccccc2 83393f91b713efb9001bcdddca732055 [0,0,1,0,0,0|1,0,1]=3 87 B15R2.1259 O[C@@H](CN1CCSC1)c2ccccc2 7831d98a504842b8cdd28b6da0ceff54 [0,0,1,0,0,0|1,0,1]=3 88 B15R2.1259 O[C@H](CN1CCSC1)c2ccccc2 d7efbac09fcb403efb675c83d47a6d77 [0,0,1,0,0,0|1,0,1]=3 89 B15R2.2248 CCc1nc(nn1C)c2ccccc2 b5c9d3fc69b358c567ae462ede98d183 [0,0,1,0,0,0|2,0,1]=4 90 B15R2.2248 CCn1nc(nc1C)c2ccccc2 59e02361046ba9a4d89986bee9d99cac [0,0,1,0,0,0|2,0,1]=4 91 B15R2.2248 CNc1nc(nn1C)c2ccccc2 d4553681ed4f410e9f68a777605b554b [0,0,1,0,0,0|2,0,1]=4 92 B15R2.2248 COc1nc(nn1C)c2ccccc2 f9a8ade662a10353f0034d1906eaba03 [0,0,1,0,0,0|1,1,1]=4 93 B17R3.8708 c1ccc(cc1)c2cn3c(n2)CCCC3 b923722858a8a9ce95b8ee05c21589bc [0,0,0,0,0,1|1,0,2]=4 94 B17R3.8708 c1ccc(cc1)c2cn3c(n2)COCC3 a04c61c5c7b5fa2edaad934cad2d28dc [0,0,0,0,0,1|0,1,2]=4 95 B17R3.8708 c1ccc(cc1)c2nc3n(n2)CCCC3 ed53f361e6f496d870fc11120c762f68 [0,0,0,0,0,1|2,0,1]=4 96 B17R3.8708 c1ccc(cc1)c2nc3n(n2)CCNC3 6e8a1b39fbcc4c5d2a663d300585817f [0,0,0,0,0,1|2,0,1]=4 97 B14R2.101 c1cc(ccn1)CCN2CCSC2 cb369713f9e14ebf52327c27ad7761b8 [1,0,1,0,0,0|1,0,1]=4 98 B14R2.101 c1ccc(cc1)CCN2CCSC2 2630cb61a487ede3a130c32d2a11f610 [1,0,1,0,0,0|0,0,1]=3 99 B14R2.101 c1ccc(cc1)SCN2CCSC2 6668363ddf6d3b9eafc051c6276c013f [1,0,1,0,0,0|1,0,1]=4 100 B14R2.101 c1ccc(nc1)CCN2CCSC2 40df18e6bc5daf0f1202558fe085ea8d [1,0,1,0,0,0|1,0,1]=4 101 B14R2.101 c1cncc(c1)CCN2CCSC2 d7e187861a67cf27b16c3dc85f00f353 [1,0,1,0,0,0|1,0,1]=4 102 B14R2.8 CCN1CCC(C1)c2ccccc2 606e44703daaee4bdef4e99638b65314 [1,0,1,0,0,0|1,0,1]=4 103 B14R2.8 CCN1CC[C@@H](C1)c2ccccc2 37c93a7a994535b2f71d11cf85fd6214 [1,0,1,0,0,0|1,0,1]=4 104 B14R2.8 CCN1CC[C@H](C1)c2ccccc2 4da1ac37bacd62311a7b31bb9681d50d [1,0,1,0,0,0|1,0,1]=4 105 B14R2.8 CCc1nc(c[nH]1)c2ccccc2 4deeeb1475243ee5707d9b62f7249063 [1,0,1,0,0,0|0,0,2]=4 106 B14R2.8 CCc1nc(n[nH]1)c2ccccc2 442fb1bc2276581776b451ce65f14ccb [1,0,1,0,0,0|1,0,1]=4 107 B14R2.8 CCn1cnc(c1)c2ccccc2 84b80d021c6e20ec10c5c958a72dfb6c [1,0,1,0,0,0|0,0,2]=4 108 B14R2.260 Cc1nc(cn1C)c2ccccc2 f19c85265a4c14940f26cd18b9ff16ec [1,0,1,0,0,0|0,0,2]=4 109 B14R2.260 Cc1nc(nn1C)c2ccccc2 d39fbd631091d34721e80c5598b27ee5 [1,0,1,0,0,0|1,0,1]=4 110 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Cl c336f7b64fe8c5518d1bfa9e4658c39a [0,1,1,0,0,0|1,0,1]=4 111 B16R2.1067 CC1SCCN1CCc2ccc(cc2)F bcfe60f95b0efd1132b7637ce2e985e0 [0,1,1,0,0,0|1,0,1]=4 112 B16R2.1067 CC1SCCN1CCc2ccc(cc2)I 914180e7a528f73148104fcfed3e5b55 [0,1,1,0,0,0|1,0,1]=4 113 B16R2.1067 Cc1ccc(cc1)CCN2CCSC2C 74ddd76bf0c40aa647615059e453288a [0,1,1,0,0,0|1,0,1]=4 114 B16R2.2910 CC1SCCN1CCc2cccc(c2)Cl a77feaa08ab5060990dff18d62e36ae0 [0,1,1,0,0,0|1,0,1]=4 115 B16R2.2910 CC1SCCN1CCc2cccc(c2)F dba9dd58fbe7b0c0fadda7e2220d9aa2 [0,1,1,0,0,0|1,0,1]=4 116 B16R2.2910 Cc1cccc(c1)CCN2CCSC2C 2e23ec51f9ea6eef04a1cbd19c4891da [0,1,1,0,0,0|1,0,1]=4 117 B16R2.2966 CC1SCCN1CCc2ccccc2F 20d110fc40e9c66c31bf8276e1b84960 [0,1,1,0,0,0|1,0,1]=4 118 B16R2.2966 CC1SCCN1CCc2ccccc2I 49b7f23f6626fa338218fcaa4d6fed9e [0,1,1,0,0,0|1,0,1]=4 119 B16R2.3014 CC1SCCN1CC(O)c2ccccc2 b7aeb10c4f7113a7e0a91848391d369b [0,1,1,0,0,0|1,0,1]=4 120 B16R2.13396 CC1(SCCN1CCc2ccccc2)C 7d94f4607fbc0c7cd3af0ddfeec76bab [0,1,1,0,0,0|1,0,1]=4 121 B16R2.63 Cc1ccc(cc1)C2CCN(C2)CCS 2cba329392ba485c9be1f4dc9eccb850 [0,1,1,0,0,0|1,0,1]=4 122 B16R2.63 Fc1ccc(cc1)C2CCN(C2)CCS 7018db865f2a6760228be47b8dde5529 [0,1,1,0,0,0|1,0,1]=4 123 B16R2.63 Fc1ccc(cc1)[C@@H]2CCN(C2)CCS 92595d647b3749351e85f651183f8193 [0,1,1,0,0,0|1,0,1]=4 124 B16R2.63 Fc1ccc(cc1)[C@H]2CCN(C2)CCS 7a480c20a484e631555f871e33de447e [0,1,1,0,0,0|1,0,1]=4 125 B16R2.63 SCCN1CCC(C1)c2ccc(cc2)Br 4d0d91150879b3f31c4dbbf330814244 [0,1,1,0,0,0|1,0,1]=4 126 B16R2.63 SCCN1CCC(C1)c2ccc(cc2)Cl 3b997c4007f85bca2674a7f2a6fe826a [0,1,1,0,0,0|1,0,1]=4 127 B16R2.63 SCCN1CC[C@@H](C1)c2ccc(cc2)Cl c698e57db8a4d255429773237b49bbc6 [0,1,1,0,0,0|1,0,1]=4 128 B16R2.63 SCCN1CC[C@H](C1)c2ccc(cc2)Cl ae136806361e3a6caea0e712883f73d2 [0,1,1,0,0,0|1,0,1]=4 129 B16R2.91 Cc1cccc(c1)C2CCN(C2)CCS d01348d2caf0d9ab04ad1dab9a9a4421 [0,1,1,0,0,0|1,0,1]=4 130 B16R2.91 SCCN1CCC(C1)c2cccc(c2)Br 006cf64be95485ab5804f30e83b9ae5f [0,1,1,0,0,0|1,0,1]=4 131 B16R2.91 SCCN1CCC(C1)c2cccc(c2)Cl c84b6a57634015be4fa89603f79f1b26 [0,1,1,0,0,0|1,0,1]=4 132 B16R2.150 CSCCN1CCC(C1)c2ccccc2 73f3a80cc1dac5ca19ae892eda33202d [0,1,1,0,0,0|1,0,1]=4 133 B16R2.150 CSCCN1CC[C@@H](C1)c2ccccc2 d1869d29cb90f977bd21a1d59446676c [0,1,1,0,0,0|1,0,1]=4 134 B16R2.150 CSCCN1CC[C@H](C1)c2ccccc2 2d560517bf3a35328f25a9c0ae15f456 [0,1,1,0,0,0|1,0,1]=4 135 B16R2.150 SCCCN1CCC(C1)c2ccccc2 44d18798a7669807246c70052078ee80 [0,1,1,0,0,0|1,0,1]=4 136 B16R2.150 SCCCN1CC[C@@H](C1)c2ccccc2 82b454499b62eb4e99e2aa8484bf6100 [0,1,1,0,0,0|1,0,1]=4 137 B16R2.150 SCCCN1CC[C@H](C1)c2ccccc2 3352af1cf741f08d384943424f9c376b [0,1,1,0,0,0|1,0,1]=4 138 B16R2.546 Cc1ccccc1C2CCN(C2)CCS 1db4f047232b02f88f2c38acdf263753 [0,1,1,0,0,0|1,0,1]=4 139 B16R2.546 Fc1ccccc1C2CCN(C2)CCS 1452d61363c546f1c1b7521a196879da [0,1,1,0,0,0|1,0,1]=4 140 B16R2.546 Fc1ccccc1[C@@H]2CCN(C2)CCS 0b18637bbafc835e8ddce9cd2848e3f3 [0,1,1,0,0,0|1,0,1]=4 141 B16R2.546 Fc1ccccc1[C@H]2CCN(C2)CCS 98e91204fc9f840426cdfe1e8444a984 [0,1,1,0,0,0|1,0,1]=4 142 B16R2.546 SCCN1CCC(C1)c2ccccc2Br 7b6b117d95757ae66730565993ad4c51 [0,1,1,0,0,0|1,0,1]=4 143 B16R2.546 SCCN1CCC(C1)c2ccccc2Cl 213eb000b14bf4397401640d50b4ba10 [0,1,1,0,0,0|1,0,1]=4 144 B16R2.3711 CC1(CCN(C1)CCS)c2ccccc2 c3fab89e87c490d8390acbdf910eb215 [0,1,1,0,0,0|1,0,1]=4 145 B16R2.3711 OC1(CCN(C1)CCS)c2ccccc2 2137f281183af49e81dea4d963c13559 [0,1,1,0,0,0|1,0,1]=4 146 B16R2.3711 O[C@@]1(CCN(C1)CCS)c2ccccc2 a98fd7e0588625b6fe8c78f8eb1dfb95 [0,1,1,0,0,0|1,0,1]=4 147 B16R2.3806 CC1CN(CC1c2ccccc2)CCS f7b955205ebea6d7c7293ec4341124d0 [0,1,1,0,0,0|1,0,1]=4 148 B16R2.125 Cc1ccc(cc1)[C@H](O)CN2CCSC2 000446a4a64c0816daad8daae081869c [0,1,1,0,0,0|1,0,1]=4 149 B16R2.125 FC(CN1CCSC1)c2ccc(cc2)Br 2d1d31fb54c78854ed85823d3c422189 [0,1,1,0,0,0|1,0,1]=4 150 B16R2.125 OC(CN1CCSC1)c2ccc(cc2)Br 13d6acbd1921a9a6741626f40fb1a455 [0,1,1,0,0,0|1,0,1]=4 151 B16R2.125 OC(CN1CCSC1)c2ccc(cc2)Cl 262267f8c34f56679fbe1405420b678c [0,1,1,0,0,0|1,0,1]=4 152 B16R2.125 O[C@@H](CN1CCSC1)c2ccc(cc2)Br 0f5aeedb32eb581866d8abeb46e7008b [0,1,1,0,0,0|1,0,1]=4 153 B16R2.125 O[C@@H](CN1CCSC1)c2ccc(cc2)Cl 8515f6115380bd423796435a058949dd [0,1,1,0,0,0|1,0,1]=4 154 B16R2.125 O[C@@H](CN1CCSC1)c2ccc(cc2)F c13c0e774dfd9dc129f0e3c6f1751147 [0,1,1,0,0,0|1,0,1]=4 155 B16R2.125 O[C@H](CN1CCSC1)c2ccc(cc2)Br 2000ac9feafe9fcdfcd5dff2ea1df8de [0,1,1,0,0,0|1,0,1]=4 156 B16R2.125 O[C@H](CN1CCSC1)c2ccc(cc2)Cl b4927803b3dc5c3ecb232cf9ea715428 [0,1,1,0,0,0|1,0,1]=4 157 B16R2.125 O[C@H](CN1CCSC1)c2ccc(cc2)F a3ad9ea847b8d38818b33c820968f0bc [0,1,1,0,0,0|1,0,1]=4 158 B16R2.243 OC(CN1CCSC1)c2cccc(c2)Cl cdf8b42b526c8f5c63b4ef0116b6632e [0,1,1,0,0,0|1,0,1]=4 159 B16R2.243 O[C@@H](CN1CCSC1)c2cccc(c2)Cl 91cb48a7b2d930a8f0c764a91b56a583 [0,1,1,0,0,0|1,0,1]=4 160 B16R2.243 O[C@H](CN1CCSC1)c2cccc(c2)Br f59e958759260af66ff2c5c2f82acd03 [0,1,1,0,0,0|1,0,1]=4 161 B16R2.2965 OC(CN1CCSC1)c2ccccc2Cl 363dc0c2cabb91e9dd59f6d1c1c5682c [0,1,1,0,0,0|1,0,1]=4 162 B16R2.82795 CC(C)(CN1CCSC1)c2ccccc2 0733266ede6fcc20315f943b5814a327 [0,1,1,0,0,0|1,0,1]=4 163 B16R2.82795 FC(F)(CN1CCSC1)c2ccccc2 30bf5930a568ca30e216255c08791f3f [0,1,1,0,0,0|1,0,1]=4 164 B14R1.123 C=CCCCNCCc1ccccc1 505bd6214bebf676eae027c7fb4c8b81 [0,0,2,0,0,0|2,0,0]=4 165 B14R1.123 C=COCCNCCc1ccccc1 c32e847ed775a46a5581dfca1a1df185 [0,0,2,0,0,0|1,1,0]=4 166 B14R1.123 CCSCCNCCc1ccccc1 eeda52298ef859be2eb3a1e1ae115ef5 [0,0,2,0,0,0|1,0,1]=4 167 B14R1.123 O=CCCCNCCc1ccccc1 51619b0eb5115ae2da7aa1605a5f7dff [0,0,2,0,0,0|2,0,0]=4 168 B14R1.520 CCCC(=O)NCCc1ccccc1 3b49c6736ed706ab8af13c2f9a5509d4 [0,0,2,0,0,0|2,0,0]=4 169 B14R1.756 CCC(=O)N(C)CCc1ccccc1 e376a44f102640b224898ef84d72ea3c [0,0,2,0,0,0|2,0,0]=4 170 B14R1.756 CCN(C)C(=O)CCc1ccccc1 390baff31d6ea5a5c7dbb0598d9ca63e [0,0,2,0,0,0|1,1,0]=4 171 B14R1.756 CCN(C)C(=O)NCc1ccccc1 630b8359cd6a92938184ef60080675ed [0,0,2,0,0,0|0,1,1]=4 172 B14R1.756 CCN(C)C(=S)NCc1ccccc1 3535ed38d50dc426bc9735f457907d00 [0,0,2,0,0,0|0,0,2]=4 173 B14R1.979 CCCN(C=O)CCc1ccccc1 f6f9ec57568dbdb1adbb23995edf42be [0,0,2,0,0,0|2,0,0]=4 174 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 6ff3d60073bb8ab96e9f641ced3cdd63 [0,0,2,0,0,0|1,1,0]=4 175 B14R1.29 CN(CCS)CC(O)c1ccccc1 e2fe0ddabe77e6c0b0e38231f0cff7d1 [0,0,2,0,0,0|1,0,1]=4 176 B14R1.29 CN(CCS)C[C@H](O)c1ccccc1 444592d55a70f458ddd1dd7244684192 [0,0,2,0,0,0|1,0,1]=4 177 B14R1.29 CSCN(C)CC(O)c1ccccc1 2472e6fa11640fc109662fb6c179d5ab [0,0,2,0,0,0|1,0,1]=4 178 B14R1.29 CSCN(C)C[C@H](O)c1ccccc1 157e52ad634b0a0eb14f252e900a7aa4 [0,0,2,0,0,0|1,0,1]=4 179 B14R1.38 C=CCCNCC(C)c1ccccc1 e12165873fefebd77e3002329b7085bf [0,0,2,0,0,0|2,0,0]=4 180 B14R1.38 C=CCCNCC(F)c1ccccc1 92c4aa03930b5d603dc365f979d14275 [0,0,2,0,0,0|2,0,0]=4 181 B14R1.38 C=CCCNCC(O)c1ccccc1 0de005ebf9ca4975328e157899a7c2c0 [0,0,2,0,0,0|2,0,0]=4 182 B14R1.38 C=CCCNC[C@@H](C)c1ccccc1 d676ab8278a53fa6ee0bb1baca345b00 [0,0,2,0,0,0|2,0,0]=4 183 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 a94feb1157c410b02174ea22ebc89f8d [0,0,2,0,0,0|2,0,0]=4 184 B14R1.38 C=CCCNC[C@H](C)c1ccccc1 4a0aadfb302904bcf8a7ae1db10b72ca [0,0,2,0,0,0|2,0,0]=4 185 B14R1.38 C=CCCNC[C@H](O)c1ccccc1 a91a21e75df13cab028ed2a180f80d0f [0,0,2,0,0,0|2,0,0]=4 186 B14R1.38 CC(CCNCCS)c1ccccc1 c3747bb1e2fbdcfcf583c1eb680cf567 [0,0,2,0,0,0|1,0,1]=4 187 B14R1.38 CSCCNCC(C)c1ccccc1 b759ce7087540733e07649eae2f70201 [0,0,2,0,0,0|1,0,1]=4 188 B14R1.38 CSCCNCC(F)c1ccccc1 da17dbf5b210feaa3670d1f3683908a8 [0,0,2,0,0,0|1,0,1]=4 189 B14R1.38 CSCCNCC(O)c1ccccc1 f1834abf2ffe72cb6b99a8ff404d64f5 [0,0,2,0,0,0|1,0,1]=4 190 B14R1.38 CSCCNC[C@@H](C)c1ccccc1 ff46c27f2c4e6bfb56aebdc7279946f7 [0,0,2,0,0,0|1,0,1]=4 191 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 e607a112810f60804947b15d1d6bfd95 [0,0,2,0,0,0|1,0,1]=4 192 B14R1.38 CSCCNC[C@H](C)c1ccccc1 5da853a12710e64c65ac012f136f36cf [0,0,2,0,0,0|1,0,1]=4 193 B14R1.38 CSCCNC[C@H](O)c1ccccc1 bfcb241d7361499d7e6f9f205536c894 [0,0,2,0,0,0|1,0,1]=4 194 B14R1.121 OCC(CNCCS)c1ccccc1 f1b812a3e83ea30408cf84713e9d6256 [0,0,2,0,0,0|2,0,0]=4 195 B14R2.30 CC1SCCN1Cc2ccccc2 01ac986c2142d8bd44fa1478b76a2f20 [0,0,1,0,1,0|1,0,1]=4 196 B14R2.35 SCCN1CCC1c2ccccc2 ea27c16ed23bf0fa00eb267f29fb78f7 [0,0,1,0,1,0|1,0,1]=4 197 B14R2.41 CCCN1CC(C1)c2ccccc2 3b675b32ffcdacbac520ebf6e0e9e314 [0,0,1,0,1,0|1,0,1]=4 198 B14R2.41 FCCN1CC(C1)c2ccccc2 d8619ef849fe4c71c85e3fbfba4cc5fe [0,0,1,0,1,0|1,0,1]=4 199 B14R2.41 OCCN1CC(C1)c2ccccc2 1db2626791f11c806faee1e44e359efe [0,0,1,0,1,0|0,1,1]=4 200 B14R2.41 SCCN1CC(C1)c2ccccc2 b5eae6e5660ba36346305a50cc265d6a [0,0,1,0,1,0|0,0,1]=3 201 B14R2.41 SCCN1CC(C1)c2ccccn2 a33f877035b1f260b6aecda1692b52f7 [0,0,1,0,1,0|1,0,1]=4 202 B14R2.41 SCCN1CC(C1)c2cccnc2 b3ad44a8a923b4acbb9209c78b6925aa [0,0,1,0,1,0|1,0,1]=4 203 B14R2.41 SCCN1CC(C1)c2ccncc2 44ef3b30f80a15350d78ae855f354619 [0,0,1,0,1,0|1,0,1]=4 204 B14R2.114 CC(c1ccccc1)N2CCSC2 f06fab00ab9711bc498a021cdc0df97f [0,0,1,0,1,0|1,0,1]=4 205 B14R2.114 C[C@@H](c1ccccc1)N2CCSC2 21d4bb1e708dabba588fda9d6659062b [0,0,1,0,1,0|1,0,1]=4 206 B14R2.114 C[C@H](c1ccccc1)N2CCSC2 f05e98a166ec8434a222b5800f7230b4 [0,0,1,0,1,0|1,0,1]=4 207 B14R2.794 CC(CN1CCC1)c2ccccc2 fd412b6acb020e01397a963496a0f912 [0,0,1,0,1,0|1,0,1]=4 208 B14R2.794 C[C@H](CN1CCC1)c2ccccc2 1905a3deafc3c9f6c7a806e23d0e22c2 [0,0,1,0,1,0|1,0,1]=4 209 B14R2.794 FC(CN1CCC1)c2ccccc2 5ea8fdd500fab8f30b2df29c67470157 [0,0,1,0,1,0|1,0,1]=4 210 B14R2.794 OC(CN1CCC1)c2ccccc2 df77ccedc11cc74413904e4ea85d5da2 [0,0,1,0,1,0|1,0,1]=4 211 B14R2.794 O[C@@H](CN1CCC1)c2ccccc2 b18fbb887016a6770e5d7b3c9fcba10e [0,0,1,0,1,0|1,0,1]=4 212 B14R2.794 O[C@H](CN1CCC1)c2ccccc2 de024415af69b90d21a9ef5ced1855f1 [0,0,1,0,1,0|1,0,1]=4 213 B16R2.252 O=C1CCCN(C1)CCc2ccccc2 5c2a72da86f425d7ee786eec2dfb6d94 [0,0,1,0,0,1|2,0,0]=4 214 B16R2.252 O=C1CN(CCN1)CCc2ccccc2 5b85c9e0ed7f6614378c1dc0d2ed1fc5 [0,0,1,0,0,1|2,0,0]=4 215 B16R2.252 O=C1CN(CCO1)CCc2ccccc2 ea850d801a4213bb7e817b0ba4943c81 [0,0,1,0,0,1|1,1,0]=4 216 B16R2.3250 CC1SCCN1CCCc2ccccc2 72b07a3b97c1d25e21e84cf2e9b47535 [0,0,1,0,0,1|1,0,1]=4 217 B16R2.3250 CC1SCCN1CCOc2ccccc2 e9f165d6a599643e67193bb79d47520a [0,0,1,0,0,1|1,0,1]=4 218 B16R2.3250 CC1SCCN1CCSc2ccccc2 f53fd4538655e7b76b732bca380cd6bf [0,0,1,0,0,1|1,0,1]=4 219 B16R2.3250 CC1SCCN1CSCc2ccccc2 d1a58039ab09d7542becf96485487f33 [0,0,1,0,0,1|1,0,1]=4 220 B16R2.3250 O=C1CCCN1CCNc2ccccc2 f8e1e75d4e413e6c97495741f394fe35 [0,0,1,0,0,1|2,0,0]=4 221 B16R2.3250 O=C1CCCN1CNCc2ccccc2 3b44945f4c0bf5faaae239adc7e7a6f8 [0,0,1,0,0,1|2,0,0]=4 222 B16R2.3250 O=C1CCCN1COCc2ccccc2 e54f9817f9ad75baeca6f4a24c911224 [0,0,1,0,0,1|2,0,0]=4 223 B16R2.3250 O=C1NCCN1CCNc2ccccc2 320568fba544c47242f9c1fd8d6d0cd0 [0,0,1,0,0,1|2,0,0]=4 224 B16R2.3250 O=C1SCCC1NCCc2ccccc2 2e10005c7765368e930a8d39573128be [0,0,1,0,0,1|2,0,0]=4 225 B16R2.7 SCCN1CCC(CC1)c2ccccc2 4cfb5f188fa996af5ca8716d5b4d75b2 [0,0,1,0,0,1|1,0,1]=4 226 B16R2.92 SCCN1CCC(C1)Cc2ccccc2 febe0889a86e6065068d0349e93a5293 [0,0,1,0,0,1|1,0,1]=4 227 B16R2.92 SCCN1CCC(C1)Oc2ccccc2 091b5007459e65998feba195d0468a41 [0,0,1,0,0,1|1,0,1]=4 228 B16R2.92 SCCN1CC[C@@H](C1)Oc2ccccc2 7e50f9e0d4f0b72b1eda746979393390 [0,0,1,0,0,1|1,0,1]=4 229 B16R2.92 SCCN1CC[C@H](C1)Oc2ccccc2 8a79c6a511a0ef51b1d210206a792b77 [0,0,1,0,0,1|1,0,1]=4 230 B16R2.94 SCCN1CCCC(C1)c2ccccc2 b9f9fb35e75288b2b5360d1f8dc3eecd [0,0,1,0,0,1|1,0,1]=4 231 B16R2.94 SCCN1CCC[C@@H](C1)c2ccccc2 681447cc13dcb59999d101d1b18e5668 [0,0,1,0,0,1|1,0,1]=4 232 B16R2.94 SCCN1CCC[C@H](C1)c2ccccc2 784b47c81e6c0fd2b4cb3a9a51131392 [0,0,1,0,0,1|1,0,1]=4 233 B16R2.94 SCCN1CCOC(C1)c2ccccc2 1eb091afc6b57e189be1e28668d1baa8 [0,0,1,0,0,1|1,0,1]=4 234 B16R2.94 SCCN1CCO[C@@H](C1)c2ccccc2 4e5ddac505e287f715448093a8a0b68f [0,0,1,0,0,1|1,0,1]=4 235 B16R2.94 SCCN1CCO[C@H](C1)c2ccccc2 423ce3ac899d04204ce150b159685d27 [0,0,1,0,0,1|1,0,1]=4 236 B16R2.94 SCCN1CCSC(C1)c2ccccc2 a74c254438656324a3bc6d0bcc5ae00e [0,0,1,0,0,1|1,0,1]=4 237 B16R2.88 CC(CN1CC=CCC1)c2ccccc2 4c9b3a135238de9e009632cac8f91d43 [0,0,1,0,0,1|2,0,0]=4 238 B16R2.88 CC(CN1CCCSC1)c2ccccc2 c8fdc15929f392af3db647c67700bae1 [0,0,1,0,0,1|1,0,1]=4 239 B16R2.88 CC(CN1CCSCC1)c2ccccc2 35e255559a2288cfb3c921777ab363fc [0,0,1,0,0,1|1,0,1]=4 240 B16R2.88 C[C@H](CN1CC=CCC1)c2ccccc2 40912776f37a0aceed34b40fb8ca741b [0,0,1,0,0,1|2,0,0]=4 241 B16R2.88 C[C@H](CN1CCCSC1)c2ccccc2 bcd47042576d901842001dd8db789d30 [0,0,1,0,0,1|1,0,1]=4 242 B16R2.88 C[C@H](CN1CCSCC1)c2ccccc2 de3f778b287a98f2516e1f322d49874b [0,0,1,0,0,1|1,0,1]=4 243 B16R2.88 FC(CN1CC=CCC1)c2ccccc2 a61dda48420cf1fd9a509097e5d1d970 [0,0,1,0,0,1|2,0,0]=4 244 B16R2.88 FC(CN1CCCSC1)c2ccccc2 c8cf2ec045d7ad2fda159ca39ff8dc10 [0,0,1,0,0,1|1,0,1]=4 245 B16R2.88 FC(CN1CCSCC1)c2ccccc2 963b2e46f1da48200ad8da96eee52ce9 [0,0,1,0,0,1|1,0,1]=4 246 B16R2.88 OC(CN1CC=CCC1)c2ccccc2 fbf8e180b5779740660db74b97a02069 [0,0,1,0,0,1|2,0,0]=4 247 B16R2.88 OC(CN1CCCSC1)c2ccccc2 8182423dae257143ea0419e2870d6b57 [0,0,1,0,0,1|1,0,1]=4 248 B16R2.88 OC(CN1CCSCC1)c2ccccc2 f1ecee44ad93f81c6f2c2b46ac9ea0b8 [0,0,1,0,0,1|1,0,1]=4 249 B16R2.88 O[C@@H](CN1CC=CCC1)c2ccccc2 750271efcbc8eb2b085679e2511d54c9 [0,0,1,0,0,1|2,0,0]=4 250 B16R2.88 O[C@@H](CN1CCCSC1)c2ccccc2 825038fa5a82cd60c3e5cb1e6cdce72f [0,0,1,0,0,1|1,0,1]=4 251 B16R2.88 O[C@@H](CN1CCSCC1)c2ccccc2 6cddde862c35c15a14a4901727ce44ef [0,0,1,0,0,1|1,0,1]=4 252 B16R2.88 O[C@H](CN1CC=CCC1)c2ccccc2 4babb94cdd87aabcadd02abd99da1433 [0,0,1,0,0,1|2,0,0]=4 253 B16R2.88 O[C@H](CN1CCCSC1)c2ccccc2 7a45ab27346f21e5eefeb9c8b2706cb6 [0,0,1,0,0,1|1,0,1]=4 254 B16R2.88 O[C@H](CN1CCSCC1)c2ccccc2 31b28658bc7291e2ac6ee0793b222602 [0,0,1,0,0,1|1,0,1]=4 255 B16R2.524 OC(Cc1ccccc1)CN2CCSC2 7e93a06887ebebaedd8ee81dbdaa2d16 [0,0,1,0,0,1|1,0,1]=4 256 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCSC2 5de983f78a4d3a9ff4d73b352749a614 [0,0,1,0,0,1|1,0,1]=4 257 B16R2.5767 CC(CCN1CCSC1)c2ccccc2 892de51dd10dda9adf2f1bd890df4f1f [0,0,1,0,0,1|1,0,1]=4 258 B16R2.5767 OC(CCN1CCSC1)c2ccccc2 97513e19cacec3e5b689c187bdf1229b [0,0,1,0,0,1|1,0,1]=4 259 B16R2.5767 O[C@@H](CCN1CCSC1)c2ccccc2 7b320d793abc7de44b9c7afbd91e1738 [0,0,1,0,0,1|1,0,1]=4 260 B16R2.5767 O[C@H](CCN1CCSC1)c2ccccc2 8f5ca2728d30ec9639695b9e242a2994 [0,0,1,0,0,1|1,0,1]=4 261 B16R2.2374 CSc1nc(nn1C)Nc2ccccc2 933b7ae985df6b34b214e0ce518e1b85 [0,0,1,0,0,1|1,0,1]=4