0 B23R3.3257663 COC(=O)C(c1ccccc1Cl)N2CCc3[nH]cnc3C2 0ec1e39e7d94c7a04dc52502201dc86a [0,0,0,0,0,0|2,0,0]=2 1 B23R3.3257663 COC(=O)C(c1ccccc1F)N2CCc3[nH]cnc3C2 811fc39a5a94db5dc5fbccc48c050e26 [0,0,0,0,0,0|2,1,0]=3 2 B23R3.3257663 COC(=O)C(c1ccccc1F)N2CCc3sccc3C2 b056b524d742fed4e8dcdc8078362d59 [0,0,0,0,0,0|0,1,0]=1 3 B22R3.600992 O=C(O)C(c1ccccc1Br)N2CCc3[nH]cnc3C2 5e35ee089d51b8ed2970dd1d9d9ff7c3 [1,0,0,0,0,0|2,1,0]=4 4 B22R3.600992 O=C(O)C(c1ccccc1Cl)N2CCc3[nH]cnc3C2 3dd4614c19cf6ba752ce3e7ecfeb7dfe [1,0,0,0,0,0|2,0,0]=3 5 B22R3.600992 O=C(O)C(c1ccccc1F)N2CCc3[nH]ccc3C2 9f9d8b30da4b58e0f034e13d65c1a24a [1,0,0,0,0,0|1,1,0]=3 6 B22R3.600992 O=C(O)C(c1ccccc1F)N2CCc3[nH]cnc3C2 6e54127ad9434320e6ddd9c2b4b66a72 [1,0,0,0,0,0|2,1,0]=4 7 B22R3.600992 O=C(O)C(c1ccccc1F)N2CCc3sccc3C2 09004f48cf8d4e5760f5566c051cb87d [1,0,0,0,0,0|0,1,0]=2 8 B22R3.1421408 COC(=O)C(c1ccccc1)N2CCc3[nH]cnc3C2 5167b31075dcda698477baf3fe366ec1 [1,0,0,0,0,0|2,0,0]=3 9 B22R3.1421408 COC(=O)C(c1ccccc1)N2CCc3c[nH]nc3C2 84bf8cc06c1bbd5748e19218c41bfd20 [1,0,0,0,0,0|3,0,0]=4 10 B22R3.1421408 COC(=O)C(c1ccccc1)N2CCc3sccc3C2 a05228f63541a23a25f52dbb16bcd474 [1,0,0,0,0,0|0,0,0]=1 11 B24R3.1330771 COC(=O)C(c1ccccc1C#N)N2CCc3[nH]cnc3C2 c5f9b2c18502a53e67f2df0b9536698b [0,1,0,0,0,0|3,0,0]=4 12 B24R3.1330771 COC(=O)C(c1ccccc1C#N)N2CCc3sccc3C2 654f00984414a89cc909a4def32b3065 [0,1,0,0,0,0|1,0,0]=2 13 B24R3.1330771 COC(=O)C(c1ccccc1OC)N2CCc3[nH]cnc3C2 919cc96f2b8d0c3186bd7136d4747261 [0,1,0,0,0,0|3,0,0]=4 14 B24R3.1330771 COC(=O)C(c1ccccc1OC)N2CCc3sccc3C2 4b83c81b3d1f1173c716aa2e55ebcb7d [0,1,0,0,0,0|1,0,0]=2 15 B24R3.4024229 COC(=O)C(c1cccc(c1Cl)Cl)N2CCc3[nH]cnc3C2 1c6521db29b39021b41a5aa0bd2a63a4 [0,1,0,0,0,0|2,0,0]=3 16 B24R3.4024229 COC(=O)C(c1cccc(c1Cl)Cl)N2CCc3sccc3C2 86a4905710c6158c4e77b6501b122072 [0,1,0,0,0,0|0,0,0]=1 17 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3[nH]ccc3C2 2f932631298b28fe53c0732d6704458c [0,1,0,0,0,0|2,0,0]=3 18 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3[nH]cnc3C2 7926dad8fe668846150807422b038d4a [0,1,0,0,0,0|3,0,0]=4 19 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3[nH]ncc3C2 b3ef177746c2afead35806107346a800 [0,1,0,0,0,0|3,0,0]=4 20 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3cc[nH]c3C2 d5149c20febf313fec8bab30c431ee17 [0,1,0,0,0,0|3,0,0]=4 21 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3ncsc3C2 4fd6cce4f1d68da1de5a191201cf1371 [0,1,0,0,0,0|3,0,0]=4 22 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3nocc3C2 de1bdcd714fb557c9800e6e0db56da47 [0,1,0,0,0,0|3,0,0]=4 23 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3occc3C2 1c92f4dcd97d97cb43854a8c57292337 [0,1,0,0,0,0|1,1,0]=3 24 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3sccc3C2 b05950fe023b9c356d3ad4b61bbe11b0 [0,1,0,0,0,0|1,0,0]=2 25 B24R3.30905383 CCOC(=O)C(c1ccccc1C)N2CCc3scnc3C2 719f444ff19856079a245601621e8f8a [0,1,0,0,0,0|2,0,0]=3 26 B24R3.30905383 CCOC(=O)C(c1ccccc1Cl)N2CCc3[nH]cnc3C2 fd88a08931e63ac8610c4280d6bad66c [0,1,0,0,0,0|2,0,0]=3 27 B24R3.30905383 CCOC(=O)C(c1ccccc1Cl)N2CCc3c[nH]nc3C2 af50d49f7ede34e7e3f2dd9f02ba829f [0,1,0,0,0,0|3,0,0]=4 28 B24R3.30905383 CCOC(=O)C(c1ccccc1Cl)N2CCc3sccc3C2 81710b520ba38a311053a2f5df3c66e6 [0,1,0,0,0,0|0,0,0]=1 29 B24R3.30905383 N#CNC(=O)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 4b61201ee9358ea6bfc19d3fad714157 [0,1,0,0,0,0|1,0,1]=3 30 B24R3.38451051 COC(=O)C(c1ccccc1F)N2Cc3ccnn3C(C2)C e66f6f9b07d3d537a5d6e23ef4bc496b [0,1,0,0,0,0|2,1,0]=4 31 B24R3.38451051 COC(=O)C(c1ccccc1F)N2Cc3ccnn3[C@@H](C2)C bae0fcd4fb756b1028cf18301ee0d79f [0,1,0,0,0,0|2,1,0]=4 32 B24R3.38451051 COC(=O)C(c1ccccc1F)N2Cc3ccnn3[C@H](C2)C 4981b77adfc8f806ac254643f2441366 [0,1,0,0,0,0|2,1,0]=4 33 B24R3.318258236 COC(=O)C(c1ccccc1F)N2CCc3[nH]nc(c3C2)C 74fcce3415bcf520f192bbed5d84ea9d [0,1,0,0,0,0|2,1,0]=4 34 B24R3.423431305 COC(=O)C(c1ccccc1Cl)N2CCc3sc(cc3C2)Br 8af5713546886a22f4271b20552e36e7 [0,1,0,0,0,0|0,0,0]=1 35 B24R3.423431305 COC(=O)C(c1ccccc1F)N2CCc3sc(cc3C2)Br 456bfd0eed0a5173f1c7de8db4a7376c [0,1,0,0,0,0|0,1,0]=2 36 B24R3.423446575 COC(=O)C(c1ccccc1Cl)N2CCc3[nH]cnc3C2C fe478d463266cd761e94e67ef1e9dd57 [0,1,0,0,0,0|2,0,0]=3 37 B24R3.423446575 COC(=O)C(c1ccccc1F)N2CCc3[nH]cnc3C2C 4f796bd172906ab3e51e5d098c342e6e [0,1,0,0,0,0|2,1,0]=4 38 B22R2.2478649 COC(=O)C(c1ccccc1F)N(C)Cc2ccnn2C e0a0d76e854e204e0644b5700954a234 [0,0,1,0,0,0|2,1,0]=4 39 B22R2.3960656 C=CCN1CCN(CC1)C(C(=O)OC)c2ccccc2Cl a67acb4465daeed04a4248f2606a7683 [0,0,1,0,0,0|2,0,1]=4 40 B22R2.44643373 COC(=O)C(NCCc1cccn1C)c2ccccc2F 2d151955c1d4ff3a33ad439cfe757390 [0,0,1,0,0,0|2,1,0]=4 41 B22R2.44643373 COC(=O)C(NCCc1ccnn1C)c2ccccc2Cl 2ea4a35a905a857c521e68ba0d5c4caf [0,0,1,0,0,0|3,0,0]=4 42 B22R2.44643373 COC(=O)C(NCCc1nccn1C)c2ccccc2Cl bb774c410bd9eb9cab2bb3369d6c5c0d [0,0,1,0,0,0|2,0,0]=3 43 B22R2.44643373 COC(=O)C(NCCc1nccn1C)c2ccccc2F 9316e04c3229bf257335f0a0e88abc24 [0,0,1,0,0,0|2,1,0]=4 44 B22R2.44643373 COC(=O)C(NCCc1scnc1C)c2ccccc2F 6808405904488f9f1e13bd48f7117320 [0,0,1,0,0,0|1,1,0]=3 45 B22R2.44643373 COC(=O)C(NCCn1nccc1C)c2ccccc2Cl e5419422c636061c7e3305b543839900 [0,0,1,0,0,0|2,0,0]=3 46 B22R2.44643373 COC(=O)C(OCCc1scnc1C)c2ccccc2F 42bd79ed410da5165043d4c09e75fec2 [0,0,1,0,0,0|2,1,0]=4 47 B22R2.44643373 COC(=O)[C@@H](NCCn1nccc1C)c2ccccc2Cl 71aae0ba0bc716b4b438dbdbfdf07a46 [0,0,1,0,0,0|2,0,0]=3 48 B24R3.4024924 COC(=O)C(c1ccccc1Cl)N2CCc3ncccc3C2 a423289c261f08b07fee29c648b07744 [0,0,0,0,0,1|1,0,0]=2 49 B24R3.4024924 COC(=O)C(c1ccccc1F)N2CCc3cnccc3C2 8a957b49f172938aaa95687fc71673f4 [0,0,0,0,0,1|1,1,0]=3 50 B24R3.4024924 COC(=O)C(c1ccccc1F)N2CCc3ncccc3C2 b99078a805ed7fa16e63f90fa018c0f0 [0,0,0,0,0,1|1,1,0]=3 51 B21R2.3149887 COC(=O)C(NCc1cccn1C)c2ccccc2Cl e825d2ba929ad9182f619b906b3a2341 [1,0,1,0,0,0|2,0,0]=4 52 B21R2.3149887 COC(=O)C(NCc1ccnn1C)c2ccccc2Cl b624d1f5c1ff8bb24a329c6c6e690ffc [1,0,1,0,0,0|2,0,0]=4 53 B21R2.3149887 COC(=O)C(NCc1ccsc1Br)c2ccccc2Cl 46ab11605e2be954f1d05e6be1164597 [1,0,1,0,0,0|1,0,0]=3 54 B21R2.3149887 COC(=O)C(NCc1ccsc1Cl)c2ccccc2Br 28c866dd227f866ac68ea9720a4d4a09 [1,0,1,0,0,0|1,1,0]=4 55 B21R2.3149887 COC(=O)C(NCc1ccsc1Cl)c2ccccc2Cl 452bcb50d978e7ff303ef03d7315e49b [1,0,1,0,0,0|1,0,0]=3 56 B21R2.3149887 COC(=O)C(NCc1ncoc1C)c2ccccc2Cl 606bba1837424d4df3e675584e6aca66 [1,0,1,0,0,0|1,1,0]=4 57 B21R2.3149887 COC(=O)C(NCc1scnc1C)c2ccccc2Cl d356d7dafbfc51b79211d2fba9fe07f5 [1,0,1,0,0,0|2,0,0]=4 58 B21R2.3149887 COC(=O)C(OCc1ccsc1Br)c2ccccc2Cl 9fc0885b0234e4c8007f2799f2c37147 [1,0,1,0,0,0|2,0,0]=4 59 B21R2.3149887 COC(=O)C(OCc1ccsc1Cl)c2ccccc2Cl 6e83f01ae4a2a53f1f51ac84f8ebce2e [1,0,1,0,0,0|2,0,0]=4 60 B21R2.3149887 COC(=O)[C@@H](NCc1ccnn1C)c2ccccc2Cl de1e1944362154ebd71e01682434f287 [1,0,1,0,0,0|2,0,0]=4 61 B21R2.3149887 COC(=O)[C@@H](NCc1ccsc1Br)c2ccccc2Cl 2291ef8719c16a5fac0b14255cfe6da7 [1,0,1,0,0,0|1,0,0]=3 62 B21R2.3149887 COC(=O)[C@@H](NCc1ccsc1Cl)c2ccccc2Cl 25b1186442751299e6607a44b25704ed [1,0,1,0,0,0|1,0,0]=3 63 B21R2.3149887 COC(=O)[C@@H](NCc1ncoc1C)c2ccccc2Cl 4d14a36e03df259e14226c96220eed8a [1,0,1,0,0,0|1,1,0]=4 64 B21R2.3149887 COC(=O)[C@@H](NCc1scnc1C)c2ccccc2Cl e846c39d946413da744f8c0b7fe84f08 [1,0,1,0,0,0|2,0,0]=4 65 B21R2.3149887 COC(=O)[C@@H](OCc1ccsc1Br)c2ccccc2Cl 4c06ab7fa5f2784cddbe7e4aecbeee2e [1,0,1,0,0,0|2,0,0]=4 66 B21R2.3149887 COC(=O)[C@@H](OCc1ccsc1Cl)c2ccccc2Cl aff711872fa58a6c2dad0acf77c12aa3 [1,0,1,0,0,0|2,0,0]=4 67 B21R2.3149887 COC(=O)[C@H](OCc1ccsc1Br)c2ccccc2Cl 573a44ad5d1c0cd1d5cb207d2d3b39a6 [1,0,1,0,0,0|2,0,0]=4 68 B21R2.3149887 COC(=O)[C@H](OCc1ccsc1Cl)c2ccccc2Cl fcc5a564ad67455a6d3c1c404b60f98a [1,0,1,0,0,0|2,0,0]=4 69 B21R2.513085 COC(=O)C(c1ccccc1)N(C)CCc2c[nH]cn2 18d44edd933659d9febb9fe77ce93d70 [1,0,1,0,0,0|2,0,0]=4 70 B21R2.513085 COC(=O)C(c1ccccc1)N(C)CCc2cccs2 c5817a9f64a65e10544998cd7f157c06 [1,0,1,0,0,0|0,0,0]=2 71 B21R2.513085 COC(=O)C(c1ccccc1)N(C)CCc2ccsc2 aacc874699c29957709679f99280466c [1,0,1,0,0,0|2,0,0]=4 72 B21R2.513085 COC(=O)C(c1ccccc1)N(C)CCc2cscn2 a3e4f1977011cde7a51be840ecd8dc46 [1,0,1,0,0,0|2,0,0]=4 73 B21R2.513085 COC(=O)C(c1ccccc1)N(C)CCn2cccc2 fdf473643274c8bd53a640edea5c4a2d [1,0,1,0,0,0|2,0,0]=4 74 B21R2.24625278 COC(=O)C(NCCc1c[nH]cn1)c2ccccc2Cl 9f5fa168b90a04f9b12e813daecd7013 [1,0,1,0,0,0|2,0,0]=4 75 B21R2.24625278 COC(=O)C(NCCc1ccc[nH]1)c2ccccc2Cl 9c3ab74c184871f6392765e0e468d05f [1,0,1,0,0,0|1,0,0]=3 76 B21R2.24625278 COC(=O)C(NCCc1ccc[nH]1)c2ccccc2F f19f497b4d4ebce25f020397ebe9fde6 [1,0,1,0,0,0|1,1,0]=4 77 B21R2.24625278 COC(=O)C(NCCc1cccs1)c2ccccc2Br 727114225706910f9ae528275c7e190b [1,0,1,0,0,0|0,1,0]=3 78 B21R2.24625278 COC(=O)C(NCCc1cccs1)c2ccccc2Cl 671b54b5d374de314fc46e1752c951cf [1,0,1,0,0,0|0,0,0]=2 79 B21R2.24625278 COC(=O)C(NCCc1ccn[nH]1)c2ccccc2Cl 2e09483d75e7869239a7e2526b442064 [1,0,1,0,0,0|2,0,0]=4 80 B21R2.24625278 COC(=O)C(NCCc1ccsc1)c2ccccc2Cl 55ca548f0e2e4cb96a29eb205bf206fc [1,0,1,0,0,0|2,0,0]=4 81 B21R2.24625278 COC(=O)C(NCCc1cscn1)c2ccccc2Cl 1981c364336e37f9ed263412bc7cba43 [1,0,1,0,0,0|2,0,0]=4 82 B21R2.24625278 COC(=O)C(NCCc1nccs1)c2ccccc2F 4eeebc17b0e6b7da53cbffa9a9eb94a5 [1,0,1,0,0,0|1,1,0]=4 83 B21R2.24625278 COC(=O)C(NCCn1cccc1)c2ccccc2Cl b877cc2c6662e074841a85b51ded8c8a [1,0,1,0,0,0|2,0,0]=4 84 B21R2.24625278 COC(=O)C(NCCn1cccn1)c2ccccc2Cl 26a6ee26d1ea2b3886d1ac7d59a50404 [1,0,1,0,0,0|2,0,0]=4 85 B21R2.24625278 COC(=O)C(OCCc1cccs1)c2ccccc2Cl 6fe544b1222b6e2a80b5be67a011b783 [1,0,1,0,0,0|1,0,0]=3 86 B21R2.24625278 COC(=O)C(OCCc1cccs1)c2ccccc2F 8cf8f293e07182d7dcf35fc5b203fd9a [1,0,1,0,0,0|1,1,0]=4 87 B21R2.24625278 COC(=O)[C@@H](NCCc1c[nH]cn1)c2ccccc2Cl eec4b16bacefc6345de5a5ad49ff6b1e [1,0,1,0,0,0|2,0,0]=4 88 B21R2.24625278 COC(=O)[C@@H](NCCc1cccs1)c2ccccc2Cl 09a9af1c7dd61565c414e131831a5be9 [1,0,1,0,0,0|0,0,0]=2 89 B21R2.24625278 COC(=O)[C@@H](NCCc1ccn[nH]1)c2ccccc2Cl e9ca4aec88c7512c481d90a96a55ccec [1,0,1,0,0,0|2,0,0]=4 90 B21R2.24625278 COC(=O)[C@@H](NCCc1ccsc1)c2ccccc2Cl dd69df895291f9ad6f681ef902b32ad4 [1,0,1,0,0,0|2,0,0]=4 91 B21R2.24625278 COC(=O)[C@@H](NCCc1cscn1)c2ccccc2Cl 3f85bb71931c5b6fe2ba88b5fa700a89 [1,0,1,0,0,0|2,0,0]=4 92 B21R2.24625278 COC(=O)[C@@H](NCCn1cccc1)c2ccccc2Cl 9a9463e417a73d6a096c3b64f31de29a [1,0,1,0,0,0|2,0,0]=4 93 B21R2.24625278 COC(=O)[C@@H](NCCn1cccn1)c2ccccc2Cl 892e0cf9c0dbcc1a076c00c3919b2a4d [1,0,1,0,0,0|2,0,0]=4 94 B21R2.24625278 COC(=O)[C@@H](OCCc1cccs1)c2ccccc2Cl 66fc138098d85538febef9f0c989e5ac [1,0,1,0,0,0|1,0,0]=3 95 B21R2.24625278 COC(=O)[C@H](OCCc1cccs1)c2ccccc2Cl cc83f66dcb627843032951e01fb5b9cd [1,0,1,0,0,0|1,0,0]=3 96 B21R2.205977 Cc1occc1CN(C)C(C(=O)O)c2ccccc2F d01c3d805ba2fc30de67894b8ad23145 [1,0,1,0,0,0|0,2,0]=4 97 B21R2.2306773 COC(=O)C(c1ccccc1)N(C)Cc2ccnn2C a06257377ea3eb93e157a64872056293 [1,0,1,0,0,0|2,0,0]=4 98 B21R2.2306773 COC(=O)C(c1ccccc1)N(C)Cc2ccsc2Br f3380e0e8dc16397e07587025d7161ee [1,0,1,0,0,0|1,0,0]=3 99 B21R2.2306773 COC(=O)C(c1ccccc1)N(C)Cc2ccsc2Cl 3dbd486d572db991e41daaba6db2534f [1,0,1,0,0,0|1,0,0]=3 100 B21R2.205906 Cc1ccnn1CCNC(C(=O)O)c2ccccc2Cl 6070df6d5dc22cf97e9c20a8ee610397 [1,0,1,0,0,0|2,0,0]=4 101 B21R2.205906 Cc1ccnn1CCN[C@@H](C(=O)O)c2ccccc2Cl 2b0c914803986e6662cf96c7bbad9807 [1,0,1,0,0,0|2,0,0]=4 102 B21R2.205906 Cc1ccnn1CCN[C@H](C(=O)O)c2ccccc2Cl 19b6a4fd58e912c1b518070b8cb27ee8 [1,0,1,0,0,0|2,0,0]=4 103 B21R2.205906 Cc1ccsc1CCNC(C(=O)O)c2ccccc2F d11c6e585f19ef65089bec95f991f988 [1,0,1,0,0,0|0,1,0]=3 104 B21R2.205906 Cc1ncsc1CCNC(C(=O)O)c2ccccc2Cl 81c90502a7c83f81effd9173c6c661f2 [1,0,1,0,0,0|1,0,0]=3 105 B21R2.205906 Cc1ncsc1CCNC(C(=O)O)c2ccccc2F 54e2f006f057bdb86c9e058536313d97 [1,0,1,0,0,0|1,1,0]=4 106 B21R2.205906 Cc1ncsc1CCN[C@@H](C(=O)O)c2ccccc2Cl 12c174f2d49562d60e778743561cadfc [1,0,1,0,0,0|1,0,0]=3 107 B21R2.205906 Cc1ncsc1CCN[C@@H](C(=O)O)c2ccccc2F 8bdac1b99257ea9d9708ec684052a158 [1,0,1,0,0,0|1,1,0]=4 108 B21R2.205906 Cc1ncsc1CCN[C@H](C(=O)O)c2ccccc2Cl 14b8921ce5b4ef3c4211d3774db45f9a [1,0,1,0,0,0|1,0,0]=3 109 B21R2.205906 Cc1ncsc1CCN[C@H](C(=O)O)c2ccccc2F 2321c75241e96f77fc3e6f0f0255ace6 [1,0,1,0,0,0|1,1,0]=4 110 B21R2.205906 Cn1ccnc1CCNC(C(=O)O)c2ccccc2Cl 47baf710bfe197bc80c0ae560104ca2e [1,0,1,0,0,0|2,0,0]=4 111 B21R2.2801988 CNC(=O)C(NCCc1scnc1C)c2ccccc2 71dcb8a284f934b3e4ca06683fdd482f [1,0,1,0,0,0|2,0,0]=4 112 B21R2.2801988 CNC(=O)[C@@H](NCCc1scnc1C)c2ccccc2 bb9efdbb50add8c968202006c0f0461d [1,0,1,0,0,0|2,0,0]=4 113 B21R2.2801988 CNC(=O)[C@H](NCCc1scnc1C)c2ccccc2 1b5e681da3d51868053cf20943081161 [1,0,1,0,0,0|2,0,0]=4 114 B21R2.2801988 COC(=O)C(COCc1sccc1C)c2ccccc2 402daaa056442fa92ec7868b83537203 [1,0,1,0,0,0|2,0,0]=4 115 B21R2.2801988 COC(=O)C(NCCc1cccn1C)c2ccccc2 2b2f9029b92e4cfb8e6310272373c5b3 [1,0,1,0,0,0|2,0,0]=4 116 B21R2.2801988 COC(=O)C(NCCc1nccn1C)c2ccccc2 7239aaf6b7c68d6189537b9f20270468 [1,0,1,0,0,0|2,0,0]=4 117 B21R2.2801988 COC(=O)C(NCCc1scnc1C)c2ccccc2 2ac699fd1979150512e2ed046e1d8ac1 [1,0,1,0,0,0|1,0,0]=3 118 B21R2.2801988 COC(=O)[C@@H](NCCc1scnc1C)c2ccccc2 e606a2b2816b6d3c66fb1480538df4b8 [1,0,1,0,0,0|1,0,0]=3 119 B21R3.520029 CC(=O)C(c1ccccc1)N2CCc3[nH]cnc3C2 442ad013bc96c1a85f60ebdf06e42b95 [2,0,0,0,0,0|2,0,0]=4 120 B21R3.520029 CC(=O)C(c1ccccc1)N2CCc3cc[nH]c3C2 6458064ebb4e94cb89b6f41ec906e9d2 [2,0,0,0,0,0|2,0,0]=4 121 B21R3.520029 CC(=O)C(c1ccccc1)N2CCc3nocc3C2 301fa7725fc906910731566b1b3e079a [2,0,0,0,0,0|2,0,0]=4 122 B21R3.520029 CC(=O)C(c1ccccc1)N2CCc3sccc3C2 16477bc04f606ca29969c7917f73c8e6 [2,0,0,0,0,0|0,0,0]=2 123 B21R3.520029 NC(=O)C(c1ccccc1)N2CCc3sccc3C2 1844922322f0cdd10f638ea7b7a26204 [2,0,0,0,0,0|1,0,0]=3 124 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3[nH]ccc3C2 3ff12b488dfb41a61aad4d82a007800b [2,0,0,0,0,0|1,0,0]=3 125 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3[nH]cnc3C2 98d90beac340fef95bd20ecbcd8c98d0 [2,0,0,0,0,0|2,0,0]=4 126 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3[nH]ncc3C2 885ba7ffae9baae821075fdf7d67cb41 [2,0,0,0,0,0|2,0,0]=4 127 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3cc[nH]c3C2 8d3a994fa01559bb10b8372e2cee37d4 [2,0,0,0,0,0|2,0,0]=4 128 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3nocc3C2 7c44d5c6437c7a698a1a186f67a03ae4 [2,0,0,0,0,0|2,0,0]=4 129 B21R3.520029 O=C(O)C(c1ccccc1)N2CCc3sccc3C2 5aa5ceb4bfa583b1d1c60c2ac8a54072 [2,0,0,0,0,0|0,0,0]=2 130 B21R3.903826 CCC(c1ccccc1F)N2CCc3sccc3C2 123451c290c8e6e69a28e0248dcbda77 [2,0,0,0,0,0|0,1,1]=4 131 B23R2.4823220 COC(=O)C(NCc1ccnn1C(C)C)c2ccccc2Cl d65fead72cf25c9e0629bc1e573c9b22 [0,1,1,0,0,0|2,0,0]=4 132 B23R2.4823220 COC(=O)[C@@H](NCc1ccnn1C(C)C)c2ccccc2Cl 6d80b54250734e3787d5dc0983e28d71 [0,1,1,0,0,0|2,0,0]=4 133 B23R2.13916622 CCc1nc(sc1CNC(C(=O)OC)c2ccccc2Cl)C 70d5e887b12fb486857d7cd00f9f6a22 [0,1,1,0,0,0|2,0,0]=4 134 B23R2.13916622 CCc1nc(sc1CN[C@H](C(=O)OC)c2ccccc2Cl)C 40dd92318b583ea4e8e13fca0bc8ffee [0,1,1,0,0,0|2,0,0]=4 135 B23R2.24164561 COC(=O)C(NC(=O)c1ccsc1SC)c2ccccc2Cl eb32111cd55150862ac272fa39615957 [0,1,1,0,0,0|1,0,1]=4 136 B23R2.24164561 COC(=O)[C@@H](NC(=O)c1ccsc1SC)c2ccccc2Cl 1ec6fbccce4c2d51adbfd4be8db5bf48 [0,1,1,0,0,0|1,0,1]=4 137 B23R2.756318 CCN(CCc1ccsc1)[C@H](C(=O)OC)c2ccccc2Cl c38ecca13234086e1d2a9cf9643f7ba6 [0,1,1,0,0,0|2,0,0]=4 138 B23R2.756318 COC(=O)[C@H](c1ccccc1Cl)N(CF)CCc2ccsc2 0dc193757237c0704cfbccc510419aa9 [0,1,1,0,0,0|2,0,0]=4 139 B23R2.756318 COC(=O)[C@H](c1ccccc1Cl)N(CO)CCc2ccsc2 6bbb6770b42978200a34c87d33380089 [0,1,1,0,0,0|2,0,0]=4 140 B23R2.2655460 COC(=O)C(c1cccc(c1Cl)Cl)N(C)Cc2cccn2C 004c1e4d9077e9c77842382348385991 [0,1,1,0,0,0|2,0,0]=4 141 B23R2.2655460 COC(=O)C(c1cccc(c1Cl)Cl)N(C)Cc2ccnn2C 62bc91745ea80826016601c3d03d804e [0,1,1,0,0,0|2,0,0]=4 142 B23R2.839101 COC(=O)C(NCCc1scnc1C)c2ccccc2C#N 2bae48494b4e1f739612b31eab65204c [0,1,1,0,0,0|2,0,0]=4 143 B23R2.839101 COC(=O)C(NCCc1scnc1C)c2ccccc2OC 74b9758b8cae4d26e2bf1562a66b3dfe [0,1,1,0,0,0|2,0,0]=4 144 B23R2.68383970 CCOC(=O)C(NCCc1cccn1C)c2ccccc2Cl 8e7652515453519c238c551ba566e6c9 [0,1,1,0,0,0|2,0,0]=4 145 B23R2.68383970 CCOC(=O)C(NCCc1nccn1C)c2ccccc2Cl 4605f13d8755b8c3767f4292fa154c95 [0,1,1,0,0,0|2,0,0]=4 146 B23R2.68383970 CCOC(=O)C(NCCc1sccc1C)c2ccccc2C 3d98107ecfae2f181ab6b489d5b651db [0,1,1,0,0,0|1,0,0]=3 147 B23R2.68383970 CCOC(=O)C(NCCc1sccc1C)c2ccccc2Cl cd0c285f47af8b9ce41cedfcb4047020 [0,1,1,0,0,0|0,0,0]=2 148 B23R2.68383970 CCOC(=O)C(NCCc1scnc1C)c2ccccc2C ee5db5af9592802a2305626fdcf7da6a [0,1,1,0,0,0|2,0,0]=4 149 B23R2.68383970 CCOC(=O)C(NCCc1scnc1C)c2ccccc2Cl 310c3a873386f204edc9f35a136d04d2 [0,1,1,0,0,0|1,0,0]=3 150 B23R2.77983973 COC(=O)C(NCCn1nc(cc1C)C)c2ccccc2Cl ec18012fb45623373e30da6424c92fc0 [0,1,1,0,0,0|2,0,0]=4 151 B23R2.77983973 COC(=O)[C@@H](NCCn1nc(cc1C)C)c2ccccc2Cl 2cfee69fbfdc4a64aa1a3cf2ae98d05c [0,1,1,0,0,0|2,0,0]=4 152 B23R2.77984480 COC(=O)C(NCCc1scnc1C)c2ccc(cc2Cl)Cl 3e14c25d78ce6bd824453cca2897a9d7 [0,1,1,0,0,0|1,0,0]=3 153 B23R2.77984480 COC(=O)C(NCCn1nccc1C)c2ccc(cc2Cl)Cl 9b73371118b3bbef647ef9ed4642ef9d [0,1,1,0,0,0|2,0,0]=4 154 B23R2.77984492 COC(=O)C(NCCc1cccn1C)c2cccc(c2Cl)Cl 1a576fcd391c1d234be0cfcea8745274 [0,1,1,0,0,0|2,0,0]=4 155 B23R2.77984492 COC(=O)C(NCCc1nccn1C)c2cccc(c2Cl)Cl 3db8ef1ff69775d5eba67412a2b8b184 [0,1,1,0,0,0|2,0,0]=4 156 B23R2.77990902 COC(=O)C(NCC(=O)c1sccc1Cl)c2ccccc2Cl 6d4fb1074e6e3c75c006404d4f05a7d2 [0,1,1,0,0,0|1,0,1]=4 157 B23R2.77990902 COC(=O)[C@@H](NCC(=O)c1sccc1Cl)c2ccccc2Cl 8e6d063cc14ae5eadfcac731855b4db9 [0,1,1,0,0,0|1,0,1]=4 158 B23R2.77991721 COC(=O)C(NC(=O)Cc1sccc1Cl)c2ccccc2Cl a06b43b395d4ab41e36f4bbdac5af1ad [0,1,1,0,0,0|1,0,1]=4 159 B23R2.77991721 COC(=O)C(NC(=O)Cc1scnc1C)c2ccccc2Cl e4664d81e581c4832b66e293229caf08 [0,1,1,0,0,0|1,0,1]=4 160 B23R2.77991721 COC(=O)[C@@H](NC(=O)Cc1sccc1Cl)c2ccccc2Cl 658740fc13c60a99ec95e0751413502e [0,1,1,0,0,0|1,0,1]=4 161 B23R2.77991721 COC(=O)[C@@H](NC(=O)Cc1scnc1C)c2ccccc2Cl 6480f8301274591f940275dca0cf9c02 [0,1,1,0,0,0|1,0,1]=4 162 B23R2.147427543 COC(=O)C(NCCc1scnc1C)c2c(cccc2C)C 82ab6c67451e5726c52a46d9dcf64337 [0,1,1,0,0,0|2,0,0]=4 163 B23R3.665765 O=C(O)C(c1ccccc1F)N2CCc3sc(cc3C2)Br 3913b3412ecc7e757c38ac5b6b49c95f [1,1,0,0,0,0|0,1,0]=3 164 B23R3.665767 CC1c2ccsc2CCN1C(C(=O)O)c3ccccc3F 93bbfcf1ea547eb445d13efafd5148e2 [1,1,0,0,0,0|0,1,0]=3 165 B23R3.665767 CC1c2nc[nH]c2CCN1C(C(=O)O)c3ccccc3Cl 764ae8d84299fd29cde326e300ef2921 [1,1,0,0,0,0|2,0,0]=4 166 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3[nH]ccc3C2 f2c41a6a02a769b2f6832722051887e2 [1,1,0,0,0,0|1,0,0]=3 167 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3[nH]cnc3C2 6390e0923246cafdc087ebbc4fe5dcae [1,1,0,0,0,0|2,0,0]=4 168 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3[nH]ncc3C2 8ca241fbca2a1d521cb63940e42ef200 [1,1,0,0,0,0|2,0,0]=4 169 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3cc[nH]c3C2 4da9ce1383b9a860c0c23c1f9d1fe5ef [1,1,0,0,0,0|2,0,0]=4 170 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3nocc3C2 631c292157cececcb5c9fc3142e6db70 [1,1,0,0,0,0|2,0,0]=4 171 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCc3sccc3C2 543aae1c5521ddfe5450d9f5b9861080 [1,1,0,0,0,0|0,0,0]=2 172 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCn3cccc3C2 35fc038f2371c088d124a0b440c7d98e [1,1,0,0,0,0|2,0,0]=4 173 B23R3.1017814 CCOC(=O)C(c1ccccc1)N2CCn3nccc3C2 c5d8f944ccb488b5e5bd4bb8f0f6fa1d [1,1,0,0,0,0|2,0,0]=4 174 B23R3.1017814 CCOC(=O)C(c1ccccn1)N2CCc3[nH]ccc3C2 74e396b7971efb02d46e3508c647d525 [1,1,0,0,0,0|2,0,0]=4 175 B23R3.1017814 CCOC(=O)C(c1ccccn1)N2CCc3occc3C2 5cb36536f1bc738fe1499a1c0b276a00 [1,1,0,0,0,0|1,1,0]=4 176 B23R3.1017814 CCOC(=O)C(c1ccccn1)N2CCc3sccc3C2 1f4e5f6cf292f222bd5c9b14a9dcfedf [1,1,0,0,0,0|1,0,0]=3 177 B23R3.1017814 CCOC(=O)C(c1ccccn1)N2CCc3scnc3C2 866680f7d10fb4f586a6df76719c76eb [1,1,0,0,0,0|2,0,0]=4 178 B23R3.3256153 COC(=O)C(c1ccccc1)N2CCc3[nH]cnc3C2C 4f1acdffdb9d86df98809e289a5d272d [1,1,0,0,0,0|2,0,0]=4 179 B23R3.3256154 COC(=O)C(c1ccccc1)N2CCc3[nH]nc(c3C2)C 99d585d2d72b022abbbb3af64672c2e4 [1,1,0,0,0,0|2,0,0]=4 180 B23R3.3256417 COC(=O)C(c1ccccc1)N2CCc3nn(cc3C2)C 8a020ddb76d351e72ccf126dda01de5e [1,1,0,0,0,0|2,0,0]=4 181 B23R3.3256417 COC(=O)C(c1ccccc1)N2CCc3sc(cc3C2)Br 20d89f18d7eba032687f1f1fef507bc9 [1,1,0,0,0,0|0,0,0]=2 182 B23R3.3256823 COC(=O)C(c1ccc(cc1)Br)N2CCc3[nH]cnc3C2 fc84d96c8b69b5fff219c38a7eaa3449 [1,1,0,0,0,0|2,0,0]=4 183 B23R3.3256823 COC(=O)C(c1ccc(cc1)Cl)N2CCc3[nH]cnc3C2 af6c6d4fefbe4569d6ee3d8fb9e91a6c [1,1,0,0,0,0|2,0,0]=4 184 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3[nH]ccc3C2 e2c6c6db7198ebababef0311f7be5960 [1,1,0,0,0,0|1,0,0]=3 185 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3[nH]cnc3C2 baa8dbdf88c359fc1c6ba72064855e8d [1,1,0,0,0,0|2,0,0]=4 186 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3[nH]ncc3C2 4d133ea790476c9c443a116f5bbbac85 [1,1,0,0,0,0|2,0,0]=4 187 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3cc[nH]c3C2 49116d2f79ce93705e90f51f3fa4aa9c [1,1,0,0,0,0|2,0,0]=4 188 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3ncsc3C2 ed3bca91cfa6dc2930f940c602934450 [1,1,0,0,0,0|2,0,0]=4 189 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3nocc3C2 2db78c206961c8e11f207865eb612680 [1,1,0,0,0,0|2,0,0]=4 190 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3occc3C2 deb096503b2eecef680443dbe048251f [1,1,0,0,0,0|0,1,0]=3 191 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3sccc3C2 e134297337e26f7097b240e34cebe1ba [1,1,0,0,0,0|0,0,0]=2 192 B23R3.3256823 COC(=O)C(c1ccc(cc1)F)N2CCc3scnc3C2 86faf45ce372c1b5c51130230c5f96f7 [1,1,0,0,0,0|1,0,0]=3 193 B23R3.3257546 COC(=O)C(c1cccc(c1)C)N2CCc3[nH]ccc3C2 b8993a7a471ede565071bd5d417ae90e [1,1,0,0,0,0|1,0,0]=3 194 B23R3.3257546 COC(=O)C(c1cccc(c1)C)N2CCc3[nH]cnc3C2 cb4b655516cb7b8ebfc91a72ff00bd01 [1,1,0,0,0,0|2,0,0]=4 195 B23R3.3257546 COC(=O)C(c1cccc(c1)C)N2CCc3nocc3C2 054a56aa4a638abd6738ba464b7f4f4d [1,1,0,0,0,0|2,0,0]=4 196 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3[nH]cnc3C2 f2dfca8de135ab83c635dd48f3ac2f4f [1,1,0,0,0,0|2,0,0]=4 197 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3cc[nH]c3C2 0b5a9fbc40e871bf9c6b8d4a1697fb7f [1,1,0,0,0,0|2,0,0]=4 198 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3ncsc3C2 b5deaebc0658139fd270397d5ca06f9e [1,1,0,0,0,0|2,0,0]=4 199 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3nocc3C2 48db5db0dc61c657605f55cb043394d3 [1,1,0,0,0,0|2,0,0]=4 200 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3sccc3C2 478b1d81c16ce6458866c2d953b70cb7 [1,1,0,0,0,0|0,0,0]=2 201 B23R3.3257546 COC(=O)C(c1cccc(c1)Cl)N2CCc3scnc3C2 f7fc12a655ea3d4b9f5bbe959b27d5aa [1,1,0,0,0,0|1,0,0]=3 202 B23R3.161453441 CCOC(=O)C(c1ccccc1Cl)N2Cc3cn[nH]c3C2 da14cbc64a63e30a185996a625b9692d [0,1,0,0,1,0|2,0,0]=4 203 B25R3.1195738 COC(=O)C(c1ccccc1C#N)N2CCc3ncccc3C2 20bd573b697f4c7fdce6d661501fd82a [0,1,0,0,0,1|2,0,0]=4 204 B25R3.1195738 COC(=O)C(c1ccccc1OC)N2CCc3ncccc3C2 c891a93dfeb9e8f5902cf1cf79c2e788 [0,1,0,0,0,1|2,0,0]=4 205 B25R3.4752130 COC(=O)C(c1cccc(c1Cl)Cl)N2CCc3ncccc3C2 c6fc8497fcd7927b4d7c89fef12af2b6 [0,1,0,0,0,1|1,0,0]=3 206 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3ccccc3C2 5ea2545c73ad8f0d3f112e9afd4501fa [0,1,0,0,0,1|2,0,0]=4 207 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3cccnc3C2 384a6d8447d33005d6c6a6dac958c339 [0,1,0,0,0,1|2,0,0]=4 208 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3ccncc3C2 f5a8006b80560d5edf740077007a026b [0,1,0,0,0,1|2,0,0]=4 209 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3cnccc3C2 dca12570b3f4e99f531b1740050211e7 [0,1,0,0,0,1|2,0,0]=4 210 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3ncccc3C2 46a6a65bc0366516b984a935a3f7de24 [0,1,0,0,0,1|2,0,0]=4 211 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3nccnc3C2 6a8157ce859d117b1274a1544628701d [0,1,0,0,0,1|2,0,0]=4 212 B25R3.35445158 CCOC(=O)C(c1ccccc1C)N2CCc3ncncc3C2 4e5df10ee5f368a2e948519940a2f142 [0,1,0,0,0,1|2,0,0]=4 213 B25R3.35445158 CCOC(=O)C(c1ccccc1Cl)N2CCc3cccnc3C2 0e9b144cc2008a4aa2542cc036ee6716 [0,1,0,0,0,1|1,0,0]=3 214 B25R3.35445158 CCOC(=O)C(c1ccccc1Cl)N2CCc3ncccc3C2 5bd5a69b9e06d730483209955561e69b [0,1,0,0,0,1|1,0,0]=3 215 B25R3.35445158 CCOC(=O)C(c1ccccc1Cl)N2CCc3nccnc3C2 9e0e4f18e2e75cbff4cb79b636b05977 [0,1,0,0,0,1|1,0,0]=3 216 B25R3.35445158 CCOC(=O)C(c1ccccc1Cl)N2CCc3ncncc3C2 d8bb0e3c9b0ebe83ce1f17f17c883a85 [0,1,0,0,0,1|1,0,0]=3 217 B25R3.44339684 COC(=O)C(c1ccccc1Cl)N2Cc3ccccc3C(C2)C 566f929db4d8e4131fecf8283970c077 [0,1,0,0,0,1|1,0,0]=3 218 B25R3.44339684 COC(=O)C(c1ccccc1Cl)N2Cc3ccccc3C(C2)O 1b755564c783d3c7136977b7ac33a623 [0,1,0,0,0,1|1,0,0]=3 219 B25R3.44339684 COC(=O)C(c1ccccc1Cl)N2Cc3ccccc3[C@H](C2)C af0bc48fd9a7237d5c4d38f302fd3892 [0,1,0,0,0,1|1,0,0]=3 220 B25R3.44339684 COC(=O)C(c1ccccc1F)N2Cc3ccccc3C(C2)C e6316431d50d623100bdd1bd133ca9e9 [0,1,0,0,0,1|1,1,0]=4 221 B25R3.44339684 COC(=O)C(c1ccccc1F)N2Cc3ccccc3C(C2)O b8b6c044bd59fb30df6bb7804cd8e5e7 [0,1,0,0,0,1|1,1,0]=4 222 B25R3.44339684 COC(=O)C(c1ccccc1F)N2Cc3ccccc3[C@H](C2)C 64b2dd68ac03faf1650aee7c2b5d1677 [0,1,0,0,0,1|1,1,0]=4 223 B25R3.393822009 COC(=O)C(c1ccccc1Cl)N2CCc3ccc(cc3C2)F 8450057cf127e13ae41473fb7961be38 [0,1,0,0,0,1|1,0,0]=3 224 B25R3.393822009 COC(=O)C(c1ccccc1Cl)N2CCc3ncc(cc3C2)Cl 4c9851435093b2583331394f580e4852 [0,1,0,0,0,1|1,0,0]=3 225 B25R3.393822009 COC(=O)C(c1ccccc1Cl)N2CCc3nnc(cc3C2)Cl 5fb47890b10e41badab8dc5fe33e25d1 [0,1,0,0,0,1|1,0,0]=3 226 B25R3.393822009 COC(=O)C(c1ccccc1F)N2CCc3ncc(cc3C2)Cl 866dfa08312dc01bf1a9ca8c7bef419a [0,1,0,0,0,1|1,1,0]=4 227 B25R3.393822009 COC(=O)C(c1ccccc1F)N2CCc3nnc(cc3C2)Cl 6d3fd972d0c127e09a8a608a4d484d4b [0,1,0,0,0,1|1,1,0]=4 228 B25R3.393822274 COC(=O)C(c1ccccc1Cl)N2CCc3cc(ncc3C2)Cl c1dc6aff59ba1d7e71d80a13f90a3c15 [0,1,0,0,0,1|1,0,0]=3 229 B25R3.393822274 COC(=O)C(c1ccccc1F)N2CCc3[nH]c(=O)ccc3C2 dded53f4946383f00edb6b916fb1cc1f [0,1,0,0,0,1|1,1,0]=4 230 B25R3.393822274 COC(=O)C(c1ccccc1F)N2CCc3cc(ncc3C2)Cl ba9a3227a6755535920c4a8ece610930 [0,1,0,0,0,1|1,1,0]=4 231 B25R3.1141340693 COC(=O)C(c1ccccc1F)N2CCc3c(cccc3C2)F e067d961f49fbdffbe26c818a9504aaa [0,1,0,0,0,1|1,1,0]=4 232 B25R3.1141340693 COC(=O)C(c1ccccc1F)N2CCc3c(ccnc3Cl)C2 f38124e5e18dd9c693cac9cc1b228dfb [0,1,0,0,0,1|1,1,0]=4 233 B25R3.94891030 COC(=O)C(NC1CCc2sccc2C1=O)c3ccccc3Cl 056870da3832dc2738055dc5f1bb18dc [0,1,0,0,0,1|1,0,1]=4 234 B25R3.94891030 COC(=O)C(OC1CCc2sccc2C1=O)c3ccccc3Cl 88da9e8b20d7a0d4d86a49cbb1ca6460 [0,1,0,0,0,1|1,0,1]=4 235 B25R3.94891030 COC(=O)[C@@H](NC1CCc2sccc2C1=O)c3ccccc3Cl 7ba31da1a52ecddd6ca482d95c214658 [0,1,0,0,0,1|1,0,1]=4 236 B25R3.94891030 COC(=O)[C@@H](OC1CCc2sccc2C1=O)c3ccccc3Cl 73783040e3a8de885d07f7b3a7c113a4 [0,1,0,0,0,1|1,0,1]=4 237 B25R3.94891030 COC(=O)[C@H](OC1CCc2sccc2C1=O)c3ccccc3Cl 8a60257d6b83b83391a5e4d7395341af [0,1,0,0,0,1|1,0,1]=4 238 B25R3.48514174 COC(=O)C(c1ccccc1C#N)N2CCc3sc(cc3C2)Br 0b2bfddb029e2f1f9254264ddb01fa9b [0,2,0,0,0,0|1,0,0]=3 239 B25R3.345283593 COC(=O)C(c1cc(ccc1OC)F)N2CCc3sccc3C2 e617e18c5457fb625759d93de0a91609 [0,2,0,0,0,0|1,0,0]=3 240 B25R3.393820722 COC(=O)C(c1cccc(c1Cl)Cl)N2CCc3[nH]cnc3C2C aa927f3e1dc4dd67632838d02996abb1 [0,2,0,0,0,0|2,0,0]=4 241 B25R3.15056103 C#CCNC(=O)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 9a98ae684429a12bd03e0d5e5910ac7c [0,2,0,0,0,0|1,0,0]=3 242 B25R3.15056103 CCCNC(=O)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 124cdc1e336767eda0ef208c9b1e9eac [0,2,0,0,0,0|1,0,0]=3 243 B25R3.15056103 N#CCNC(=O)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 c05d31ab772621ce229eac9f26524e6a [0,2,0,0,0,0|1,0,0]=3 244 B25R3.15056103 O=C(NCCF)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 1ce82fe15f43552f4cf1af47c2c2db15 [0,2,0,0,0,0|1,0,0]=3 245 B25R3.15056103 O=C(NCCI)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 b8409b2d574556b3cb40142cb7289517 [0,2,0,0,0,0|1,0,0]=3 246 B25R3.15056103 O=C(NCCO)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 564f18c361407caa3772e4a9ce01c6f5 [0,2,0,0,0,0|1,0,0]=3 247 B25R3.15056103 O=C(NCCS)[C@H](c1ccccc1Cl)N2CCc3sccc3C2 c6455000bd2a87e6cfc2fb3b165f6462 [0,2,0,0,0,0|1,0,0]=3 248 B25R3.254481358 CCOC(=O)C(c1ccccc1C)N2CCc3sc(cc3C2)Br 85790087af9ba68efd10f90a3c00272e [0,2,0,0,0,0|1,0,0]=3 249 B25R3.254481358 CCOC(=O)C(c1ccccc1Cl)N2CCc3nn(cc3C2)C 5291cde6ddc9623924031fc1347d21ad [0,2,0,0,0,0|2,0,0]=4 250 B25R3.254481358 CCOC(=O)C(c1ccccc1Cl)N2CCc3sc(cc3C2)Br 0a6eb174139afd064288b3c7af836e1f [0,2,0,0,0,0|0,0,0]=2 251 B25R3.254498043 CCOC(=O)C(c1ccccc1C)N2CCc3sccc3C2C a245959542582a6aa37d6f414809b55f [0,2,0,0,0,0|1,0,0]=3 252 B25R3.254498043 CCOC(=O)C(c1ccccc1Cl)N2CCc3[nH]cnc3C2C 0e7db4ce819099cf07fb66b54d7301ec [0,2,0,0,0,0|2,0,0]=4 253 B25R3.254498043 CCOC(=O)C(c1ccccc1Cl)N2CCc3sccc3C2C 80686e8a8169c88d5b5f5cc0cfbc6d39 [0,2,0,0,0,0|0,0,0]=2 254 B25R3.254498043 CCOC(=O)C(c1ccccc1Cl)N2CCn3cccc3C2C 4cf2c13e0fc51e39fa0805ac2fb39d55 [0,2,0,0,0,0|2,0,0]=4 255 B25R3.266161088 CCOC(=O)C(c1ccccc1Cl)N2CCc3[nH]nc(c3C2)C aa8e1c9721d9b15d1f327fc33735ddff [0,2,0,0,0,0|2,0,0]=4 256 B25R3.829759146 CCOC(=O)C(c1ccccc1C)N2CCc3c(ccn3C)C2 824c2cbe41f96545c7be15dde2bfdae7 [0,2,0,0,0,0|2,0,0]=4 257 B23R3.2084798 COC(=O)C(Cc1ccccc1)N2CCc3sccc3C2 97ea5ba54e59c6489fec5535cce242ac [0,0,1,1,0,0|1,0,1]=4 258 B23R3.24791582 COC(=O)[C@H]1c2ccccc2CN1CCc3scnc3C 30161e7436d4677fff8255f02f9d6838 [0,0,1,1,0,0|2,0,0]=4 259 B25R4.42617492 O=C(C1CC1)C(c2ccccc2F)N3CCc4sccc4C3 7254c54d73a1a6a32465ff5142e7a2f3 [0,1,0,1,0,0|1,1,0]=4 260 B21R3.2210427 COC(=O)C(c1ccccc1)N2Cc3cn[nH]c3C2 f2f6621035f8d2fdb9b1be50927eee4d [1,0,0,0,1,0|2,0,0]=4 261 B23R2.756319 CCN(Cc1cccnc1)C(C(=O)OC)c2ccccc2F 173c22ddbc0d653a2ba9645d934b8374 [0,0,1,0,0,1|1,1,0]=4 262 B23R2.3682449 CCc1cccc(c1)CNC(C(=O)OC)c2ccccc2Br 5d0b5eaf3f413d158d02ac1137d3cd04 [0,0,1,0,0,1|1,1,0]=4 263 B23R2.3682449 CCc1cccc(c1)CNC(C(=O)OC)c2ccccc2Cl deebdf27969afd8aa42ae076a1ab2c79 [0,0,1,0,0,1|1,0,0]=3 264 B23R2.3682449 CCc1cccc(c1)CNC(C(=O)OC)c2ccccc2F ffe88376cd9891458aac5562d7f13ed9 [0,0,1,0,0,1|1,1,0]=4 265 B23R2.3682449 CCc1cccc(c1)CN[C@H](C(=O)OC)c2ccccc2Cl efa5df329439bf06d60c10b02d6f710c [0,0,1,0,0,1|1,0,0]=3 266 B23R2.3682449 CCc1cccc(c1)COC(C(=O)OC)c2ccccc2Cl 436422279e11d0fcba501a2414a96db0 [0,0,1,0,0,1|2,0,0]=4 267 B23R2.3682449 CCc1cccc(c1)CO[C@@H](C(=O)OC)c2ccccc2Cl c05c24483e19e7cf562dcc2e70d2381f [0,0,1,0,0,1|2,0,0]=4 268 B23R2.3682449 CCc1cccc(c1)CO[C@H](C(=O)OC)c2ccccc2Cl dc43df8188cb5cbea22288a1aa60c01d [0,0,1,0,0,1|2,0,0]=4 269 B23R2.3682449 COC(=O)C(NCc1cccc(c1)CO)c2ccccc2Cl 4bef61becd80e5734fc43f05199c2beb [0,0,1,0,0,1|2,0,0]=4 270 B23R2.3682449 COC(=O)C(NCc1cccc(c1)OC)c2ccccc2Cl 9260325fdc7f87a5df6946d216dc58ac [0,0,1,0,0,1|2,0,0]=4 271 B23R2.3682449 COC(=O)C(NCc1cccc(n1)CO)c2ccccc2Cl 6ed0ce418f48c7c2ff42feeab0ad6477 [0,0,1,0,0,1|2,0,0]=4 272 B23R2.3682449 COC(=O)C(NCc1cccc(n1)OC)c2ccccc2Cl 76086f388babae22a2d44dd683fa2761 [0,0,1,0,0,1|2,0,0]=4 273 B23R2.3682449 COC(=O)C(NCc1ccnc(c1)OC)c2ccccc2Cl 90f122ea055e18fa18e9f12b047234ac [0,0,1,0,0,1|2,0,0]=4 274 B23R2.3682449 COC(=O)C(NCc1ccnc(n1)OC)c2ccccc2Cl c4033e8d65b492ff865f39f4fe8160fc [0,0,1,0,0,1|2,0,0]=4 275 B23R2.3682449 COC(=O)C(NCc1ccnc(n1)SC)c2ccccc2Cl 317f39f5cfb9acde8a8569d4ed80ad82 [0,0,1,0,0,1|2,0,0]=4 276 B23R2.3682449 COC(=O)[C@@H](NCc1cccc(c1)CO)c2ccccc2Cl e3e0d9ff7b4d3d145e0fc16073253ec5 [0,0,1,0,0,1|2,0,0]=4 277 B23R2.3682449 COC(=O)[C@@H](NCc1cccc(c1)OC)c2ccccc2Cl 47ec57ae8b6bf5c22661bbe24f7cf15d [0,0,1,0,0,1|2,0,0]=4 278 B23R2.3682449 COC(=O)[C@@H](NCc1cccc(n1)CO)c2ccccc2Cl 5098e05e9a2224c3d57a4e5f4a612358 [0,0,1,0,0,1|2,0,0]=4 279 B23R2.3682449 COC(=O)[C@@H](NCc1cccc(n1)OC)c2ccccc2Cl 6d5959da114fa2460335be7839b601d4 [0,0,1,0,0,1|2,0,0]=4 280 B23R2.3682449 COC(=O)[C@@H](NCc1ccnc(c1)OC)c2ccccc2Cl faf7c9900745c86a0ac3a9e40c19b92e [0,0,1,0,0,1|2,0,0]=4 281 B23R2.3682449 COC(=O)[C@@H](NCc1ccnc(n1)OC)c2ccccc2Cl 68d74d1f7d11b5eae881c5165ad77e15 [0,0,1,0,0,1|2,0,0]=4 282 B23R2.3682449 COC(=O)[C@@H](NCc1ccnc(n1)SC)c2ccccc2Cl d39b7f9cf1e32a64be22a72fc798a893 [0,0,1,0,0,1|2,0,0]=4 283 B23R2.13114033 CCc1ccccc1CNC(C(=O)OC)c2ccccc2Br e4789510d11dc982edb3687fa762a931 [0,0,1,0,0,1|1,1,0]=4 284 B23R2.13114033 CCc1ccccc1CNC(C(=O)OC)c2ccccc2Cl afc1a31100d75d8e36f0b122d591da1e [0,0,1,0,0,1|1,0,0]=3 285 B23R2.13114033 CCc1ccccc1CN[C@H](C(=O)OC)c2ccccc2Cl 7d7cab029bd794315b044e8e71453edb [0,0,1,0,0,1|1,0,0]=3 286 B23R2.13114033 CCc1ccccc1COC(C(=O)OC)c2ccccc2Cl 23799f76f37dea897b07f49c2588830d [0,0,1,0,0,1|2,0,0]=4 287 B23R2.13114033 CCc1ccccc1CO[C@@H](C(=O)OC)c2ccccc2Cl 421ef4e7871346926c8c8428918b95a1 [0,0,1,0,0,1|2,0,0]=4 288 B23R2.13114033 CCc1ccccc1CO[C@H](C(=O)OC)c2ccccc2Cl 46d2685804ba56c0d1403b629d1f0ac8 [0,0,1,0,0,1|2,0,0]=4 289 B23R2.13114033 COC(=O)C(NCc1ccccc1CO)c2ccccc2Cl c4cbcb9b34f45e371ffcef2aa9c6a131 [0,0,1,0,0,1|2,0,0]=4 290 B23R2.13114033 COC(=O)C(NCc1ccccc1OC)c2ccccc2Cl 3edefacc1d7167576654cae6da52fdd3 [0,0,1,0,0,1|2,0,0]=4 291 B23R2.13114033 COC(=O)C(NCc1ccccc1SC)c2ccccc2Cl 4ba6891997272e4a2dc22fa541ba2a9f [0,0,1,0,0,1|2,0,0]=4 292 B23R2.13114033 COC(=O)C(NCc1cccnc1OC)c2ccccc2Cl 19bf04e8104eae72909a2f2f66975d16 [0,0,1,0,0,1|2,0,0]=4 293 B23R2.13114033 COC(=O)C(NCc1ccncc1OC)c2ccccc2Cl 775e64c64b97a36b7d1e377739d08221 [0,0,1,0,0,1|2,0,0]=4 294 B23R2.13114033 COC(=O)C(NCc1ncccc1OC)c2ccccc2Cl c2fdc399b759b00b2dd84781fada7740 [0,0,1,0,0,1|2,0,0]=4 295 B23R2.13114033 COC(=O)C(NCc1nccnc1OC)c2ccccc2Cl 58f777f9e36b7e55e90db5a95209c6a9 [0,0,1,0,0,1|2,0,0]=4 296 B23R2.13114033 COC(=O)[C@@H](NCc1ccccc1CO)c2ccccc2Cl 3c5bd002a74b69afc088f66e39a22430 [0,0,1,0,0,1|2,0,0]=4 297 B23R2.13114033 COC(=O)[C@@H](NCc1ccccc1OC)c2ccccc2Cl 5fea5c691a19cc91b432037e68eb0615 [0,0,1,0,0,1|2,0,0]=4 298 B23R2.13114033 COC(=O)[C@@H](NCc1ccccc1SC)c2ccccc2Cl ebb1515990ee9a2e238938e126a0b1b8 [0,0,1,0,0,1|2,0,0]=4 299 B23R2.13114033 COC(=O)[C@@H](NCc1cccnc1OC)c2ccccc2Cl d93691009a1ac8f55ec472780304f597 [0,0,1,0,0,1|2,0,0]=4 300 B23R2.13114033 COC(=O)[C@@H](NCc1ncccc1OC)c2ccccc2Cl b8662c66b4fc2560c11413f85c7922b5 [0,0,1,0,0,1|2,0,0]=4 301 B23R2.13114033 COC(=O)[C@@H](NCc1nccnc1OC)c2ccccc2Cl e4fc2eb17fc8f1da8e7fe598f5b050d4 [0,0,1,0,0,1|2,0,0]=4 302 B23R2.24387634 COC(=O)C(NC(=O)CCc1cccs1)c2ccccc2Cl 1a75404494a8e9dc1a81c15f7c54fe38 [0,0,1,0,0,1|2,0,0]=4 303 B23R2.24387634 COC(=O)[C@@H](NC(=O)CCc1cccs1)c2ccccc2Cl 85b64d24c1c39a36dbcb952a8dd78837 [0,0,1,0,0,1|2,0,0]=4 304 B23R2.77984247 COC(=O)C(NCCc1ccccc1F)c2ccccc2Cl 81c75cfca376f841dd3c8085e8904102 [0,0,1,0,0,1|2,0,0]=4 305 B23R2.77984247 COC(=O)C(NCCc1ccccc1I)c2ccccc2Cl acadc537a117d53b1bee44491d6dc524 [0,0,1,0,0,1|2,0,0]=4 306 B23R2.77984247 COC(=O)C(NCCc1ncccc1C)c2ccccc2F c7ceebeab0a5ea7cfcd2779ff69f6b92 [0,0,1,0,0,1|1,1,0]=4 307 B23R2.77984247 COC(=O)[C@@H](NCCc1ccccc1F)c2ccccc2Cl 817015cbaad7ef80ef6cb7da352a9465 [0,0,1,0,0,1|2,0,0]=4 308 B23R2.77984247 COC(=O)[C@@H](NCCc1ccccc1I)c2ccccc2Cl 4790956e82d5899ed864ed9cb7536b5a [0,0,1,0,0,1|2,0,0]=4 309 B23R2.77991329 COC(=O)C(NCCCc1nccn1C)c2ccccc2Cl 7581482312407cec87a77741903e6b9b [0,0,1,0,0,1|2,0,0]=4 310 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)Br)c2ccccc2Cl a5517914ee3805027720c9b9ae25fff7 [0,0,1,0,0,1|2,0,0]=4 311 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)C)c2ccccc2Br 2cf3d2005090bc5eef181e8662d8fb05 [0,0,1,0,0,1|1,1,0]=4 312 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)C)c2ccccc2Cl 39f38c4b0b41026e2b5dd57dbf66b799 [0,0,1,0,0,1|1,0,0]=3 313 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)C)c2ccccc2F 5b07bc3ddf39e052a03873c9798312c5 [0,0,1,0,0,1|1,1,0]=4 314 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)Cl)c2ccccc2Cl b5d85feadd0dfc54f4d1411ea23994a2 [0,0,1,0,0,1|2,0,0]=4 315 B23R2.106339779 COC(=O)C(NCCc1cccc(c1)F)c2ccccc2Cl 0e5d0878a38cb92fb2d4ffcdce60ea4d [0,0,1,0,0,1|2,0,0]=4 316 B23R2.106339779 COC(=O)C(OCCc1cccc(c1)C)c2ccccc2Cl 57cbb4fbc6162e1315438e02a57ad907 [0,0,1,0,0,1|2,0,0]=4 317 B23R2.106339779 COC(=O)[C@@H](NCCc1cccc(c1)Br)c2ccccc2Cl 9302f47e9ace93086093a210c23f171b [0,0,1,0,0,1|2,0,0]=4 318 B23R2.106339779 COC(=O)[C@@H](NCCc1cccc(c1)C)c2ccccc2Cl 177fbdb9e9caefd3063aee2d88db62dc [0,0,1,0,0,1|1,0,0]=3 319 B23R2.106339779 COC(=O)[C@@H](NCCc1cccc(c1)Cl)c2ccccc2Cl 7a58673ddf15351b1a71eb9a0441bced [0,0,1,0,0,1|2,0,0]=4 320 B23R2.106339779 COC(=O)[C@@H](NCCc1cccc(c1)F)c2ccccc2Cl 86a6fd6474e784bbbc0c6257b5993588 [0,0,1,0,0,1|2,0,0]=4 321 B23R2.106339779 COC(=O)[C@@H](OCCc1cccc(c1)C)c2ccccc2Cl 8e2ee0354a7d03622c52eb16f32e5dd4 [0,0,1,0,0,1|2,0,0]=4 322 B23R2.106339779 COC(=O)[C@H](OCCc1cccc(c1)C)c2ccccc2Cl 8f383e8bbf7d6f833753981359b3af63 [0,0,1,0,0,1|2,0,0]=4 323 B23R3.665781 O=C(O)C(c1ccccc1F)N2CCc3ncccc3C2 c2f3edd570ef45758d525754b83f7c4c [1,0,0,0,0,1|1,1,0]=4 324 B23R3.1939282 COC(=O)C(c1ccccc1)N2CCc3ncccc3C2 5056aaf4b2a5a49f36e6b61e670ab0d6 [1,0,0,0,0,1|1,0,0]=3 325 B23R3.1939282 COC(=O)C(c1ccccc1)N2CCc3ncncc3C2 7255d5ebc9d0c6599392072e4612a2a0 [1,0,0,0,0,1|1,0,0]=3 326 B23R3.2084832 COC(=O)C(CN1CCc2[nH]ccc2C1)c3ccccc3 0eba2803fd0246d61096a1e514fe6b69 [1,0,0,0,0,1|1,0,0]=3 327 B23R3.2084832 COC(=O)C(CN1CCc2[nH]cnc2C1)c3ccccc3 278101206601af2c523e516d4c2d087b [1,0,0,0,0,1|2,0,0]=4 328 B23R3.2084832 COC(=O)C(CN1CCc2[nH]ncc2C1)c3ccccc3 b5bab2f9f8e0355539f3dad555cbcb7d [1,0,0,0,0,1|2,0,0]=4 329 B23R3.2084832 COC(=O)C(CN1CCc2cc[nH]c2C1)c3ccccc3 ac339e1d49dcf8474a65f3c8fb648a07 [1,0,0,0,0,1|2,0,0]=4 330 B23R3.2084832 COC(=O)C(CN1CCc2ncsc2C1)c3ccccc3 976fd2ebf9c0069f1cb2be8c24a332e0 [1,0,0,0,0,1|2,0,0]=4 331 B23R3.2084832 COC(=O)C(CN1CCc2nocc2C1)c3ccccc3 8e4c2c382093426954c7bf4e4f7ff879 [1,0,0,0,0,1|2,0,0]=4 332 B23R3.2084832 COC(=O)C(CN1CCc2occc2C1)c3ccccc3 31361ccdae365b6490841081026601cb [1,0,0,0,0,1|0,1,0]=3 333 B23R3.2084832 COC(=O)C(CN1CCc2sccc2C1)c3ccccc3 03898fd687eb0c75364adc55495f10ec [1,0,0,0,0,1|0,0,0]=2 334 B23R3.2084832 COC(=O)C(CN1CCc2scnc2C1)c3ccccc3 dd53828f711abbd61c98b5a3f6f54f83 [1,0,0,0,0,1|1,0,0]=3 335 B23R3.2084832 COC(=O)C(CN1CCn2cccc2C1)c3ccccc3 d59d918e73b69c9f72e63be5dc513eea [1,0,0,0,0,1|2,0,0]=4 336 B23R3.2084832 COC(=O)C(CN1CCn2nccc2C1)c3ccccc3 3cce60fb8a3d833571c2c452bbdfe1b3 [1,0,0,0,0,1|2,0,0]=4 337 B25R3.4751155 COC(=O)C(c1ccccc1F)N2CCCc3ccccc3C2 f318385517c65b6a911028259ddc82dd [0,0,0,0,0,2|1,1,0]=4 338 B25R3.4751155 COC(=O)C(c1ccccc1F)N2CCOc3ccccc3C2 eaf2a60bc584607a1a3643888d1f95e1 [0,0,0,0,0,2|1,1,0]=4 339 B25R3.4751155 COC(=O)C(c1ccccc1F)N2CCOc3ncccc3C2 2ac3b4acefe2bb882bdfcc10eee8e40d [0,0,0,0,0,2|1,1,0]=4 340 B25R3.4751155 COC(=O)C(c1ccccc1F)N2CCSc3ccccc3C2 7c428c15180848381a31ac2b50cf9ff5 [0,0,0,0,0,2|1,1,0]=4