0 B25R3.449448972 CC(C)CC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 96561c01a7f737e2f8f1a5906be6c884 [0,0,0,0,0,0|2,0,1]=3 1 B25R3.449448972 CC(C)NC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 58f3cf70a4e04ab84325753dbd9f8706 [0,0,0,0,0,0|3,0,1]=4 2 B25R3.449448972 CC(C)OC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 9a447dc77dad14325c780d9452b162cb [0,0,0,0,0,0|3,0,1]=4 3 B25R3.449448972 CC(CN(C)C)CN1c2ccccc2C(c3c1cccc3)(C)C 7cf1411797236dda80bcc9b2b77fdaba [0,0,0,0,0,0|3,0,0]=3 4 B25R3.449448972 CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 88bcf7cfb8345a31b5fdb8155ccfd1a4 [0,0,0,0,0,0|0,0,0]=0 5 B24R3.153141235 CC(CN(C)C)CN1c2ccccc2S(=O)c3c1cccc3 ebd8d23eb66ad611af2a2ba67eccc6cc [1,0,0,0,0,0|0,0,1]=2 6 B24R3.282841226 C=CCC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 b8ca28eaa2f0598555f4f7fabf89c3d8 [1,0,0,0,0,0|1,0,1]=3 7 B24R3.282841226 CCCC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 4aefb86dbefa1bebaa224c85709dc9ce [1,0,0,0,0,0|2,0,1]=4 8 B24R3.333667243 C=C(C)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 21c4f84f7d4a27de97f8376814b05437 [1,0,0,0,0,0|1,0,1]=3 9 B24R3.333667243 CC(=CCCN1c2ccccc2S(=O)(=O)c3c1cccc3)C 4e8c365ce48d91e12a441fab22451c00 [1,0,0,0,0,0|1,0,1]=3 10 B24R3.333667243 CC(=O)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 a022fb51f978d927c32a86a2c6b4022a [1,0,0,0,0,0|2,0,0]=3 11 B24R3.333667243 CC(=O)NCCN1c2ccccc2S(=O)(=O)c3c1cccc3 6dd21b5ba12c3e91dcbfdbe7fe5a657b [1,0,0,0,0,0|3,0,0]=4 12 B24R3.333667243 CC(=O)OCCN1c2ccccc2S(=O)(=O)c3c1cccc3 0682a83e85398c241b0cb0022862c678 [1,0,0,0,0,0|3,0,0]=4 13 B24R3.333667243 CC(C)/C=C/CN1c2ccccc2S(=O)(=O)c3c1cccc3 1a0d2e0bfa0c6324e422cd3a4bbfbf44 [1,0,0,0,0,0|1,0,2]=4 14 B24R3.333667243 CC(C)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 7bf177e5ffa923df666ecd4c0813f941 [1,0,0,0,0,0|1,0,0]=2 15 B24R3.333667243 CC(O)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 0f640c843434c291e420a2f6e09bf98e [1,0,0,0,0,0|2,0,0]=3 16 B24R3.333667243 CN(C)CCCN1c2ccccc2C(c3c1cccc3)(C)C b6a174c0ad0d358863eba66731198a8b [1,0,0,0,0,0|3,0,0]=4 17 B24R3.333667243 CN(C)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 05264623ef52479719c01101ab94a76b [1,0,0,0,0,0|0,0,0]=1 18 B26R3.18098917 CC(CN(C)C)CN1c2ccccc2C(c3c1ccc(c3)Br)(C)C c7fc53090e7a49e5f757861687ed77c3 [0,1,0,0,0,0|3,0,0]=4 19 B26R3.312823318 COC(=O)CC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 6f0ad7403c0607b96c0744b303df89c2 [0,1,0,0,0,0|2,0,0]=3 20 B26R3.737236102 CC(CN1c2ccccc2S(=O)(=O)c3c1cccc3)CC(F)(F)F c9da74c9505330e56a26f1ccf33a7089 [0,1,0,0,0,0|3,0,0]=4 21 B26R3.1216495672 CC(C)CC(C#N)CN1c2ccccc2S(=O)(=O)c3c1cccc3 b6ed058a074230bbd6a1a1080ccabd36 [0,1,0,0,0,0|1,0,1]=3 22 B24R2.1085203 CC(C)CC(=O)CNc1ccccc1S(=O)(=O)c2ccccc2 3453981552fe3ed7f31952ef690b9ca5 [0,0,1,0,0,0|2,0,1]=4 23 B24R2.1085203 CC(CNc1ccccc1S(=O)(=O)c2ccccc2)CN(C)C ebb5525c03188ddba6aa354b24275de1 [0,0,1,0,0,0|0,0,0]=1 24 B24R2.1085203 CC(CNc1cccnc1S(=O)(=O)c2ccccc2)CN(C)C 56453a1c257ca7134eb06489c682500b [0,0,1,0,0,0|1,0,0]=2 25 B24R2.6167896 CC(CN(C)C)CN(c1ccccc1)c2ccccc2C(=O)N 6b7d0e6fdf2db53858458bf831f43e8f [0,0,1,0,0,0|2,0,0]=3 26 B24R2.6167896 CC(CN(C)C)CN(c1ccccc1)c2ccccc2C(=O)O 20e88c04aa52cadc2fe3dad971ab9091 [0,0,1,0,0,0|1,0,1]=3 27 B24R2.6167896 CC(CN(C)C)CN(c1ccccc1)c2ccccc2[N+](=O)[O-] 41484ed998ba84023ba742015b3b6030 [0,0,1,0,0,0|1,0,1]=3 28 B24R2.6167896 CC(CN(C)C)CN(c1ccccc1)c2ncccc2C(=O)O 72061589e9039e702d95e9895a13377f [0,0,1,0,0,0|2,0,1]=4 29 B24R2.6167896 CC(CN(C)C)CN(c1ccccc1)c2ncccc2[N+](=O)[O-] 0f96081e57045f8db3fd770590540748 [0,0,1,0,0,0|2,0,1]=4 30 B24R2.6167896 CC(CN(C)C)CN(c1ccccn1)c2ccccc2C(=O)O 12a661c1773a04d9e9062a66bffbe51d [0,0,1,0,0,0|2,0,1]=4 31 B24R2.6167896 CC(CN(C)C)CN(c1cccnc1)c2ccccc2[N+](=O)[O-] 4b407fc985c6b47ef7d54ad638360ed9 [0,0,1,0,0,0|2,0,1]=4 32 B24R2.6167896 CC(CN(C)C)CN(c1ccncc1)c2ccccc2[N+](=O)[O-] 2d7d5aeaa6fbd692947720fd1e1f3e73 [0,0,1,0,0,0|2,0,1]=4 33 B26R4.81017840 O=C1CC(CN1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 5b9fd96fa26fd7341a8b4f70426a199d [0,0,0,1,0,0|3,0,0]=4 34 B26R4.341206106 CC1(CC(C1)CN2c3ccccc3S(=O)(=O)c4c2cccc4)C a1af417ac0aaa137ce7731de4c7f295c [0,0,0,1,0,0|1,0,0]=2 35 B26R4.341206106 O=S1(=O)c2ccccc2N(c3c1cccc3)CC4CC(C4)(F)F 784a3fab27a9515027ba1e332218a411 [0,0,0,1,0,0|3,0,0]=4 36 B26R4.469784342 O=C(O)C1CC1CN2c3ccccc3S(=O)(=O)c4c2cccc4 fab0f63e409ec75314b74af10fe8715e [0,0,0,1,0,0|3,0,0]=4 37 B26R4.469784342 O=C(O)[C@@H]1C[C@H]1CN2c3ccccc3S(=O)(=O)c4c2cccc4 4d49cce136e9bccc7988078f644ed0a3 [0,0,0,1,0,0|3,0,0]=4 38 B24R3.1237232283 C=C(I)[C@H](C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 ad198ddd9d34899cd5fe8f52822994b3 [0,0,0,0,1,0|2,0,1]=4 39 B24R3.1237232283 CC(C)C(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 dbedcc4383abd74bd901813e6b754af9 [0,0,0,0,1,0|1,0,0]=2 40 B24R3.1237232283 CN(C)C(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 1fdaed2687f72f4ec71a363f77adf2b3 [0,0,0,0,1,0|1,0,1]=3 41 B24R3.1482065878 CC(C)CC(C)N1c2ccccc2S(=O)(=O)c3c1cccc3 898ad6d02ccaef895b31b4cb7ebf2949 [0,0,0,0,1,0|1,0,0]=2 42 B26R3.1289827505 CC(=O)OCC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 014635756d38428e3fcfb94bf231567e [0,0,0,0,0,1|2,0,0]=3 43 B26R3.1289827505 CC(=O)OCC(O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 efc0e122f80437843ad26e825042694a [0,0,0,0,0,1|3,0,0]=4 44 B26R3.1289827505 CC(C)CCC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 0412df7b7c04d8bf305921f555f413b4 [0,0,0,0,0,1|1,0,0]=2 45 B26R3.1289827505 CC(C)CNC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 c8944cca08e4c46cb5ae519b964fff35 [0,0,0,0,0,1|2,0,1]=4 46 B26R3.1461363425 CC(C)CC(=O)OCN1c2ccccc2S(=O)(=O)c3c1cccc3 32d592ccb266e8b69b4eabbf8a10e948 [0,0,0,0,0,1|2,0,1]=4 47 B26R3.1461363425 CC(CCN1c2ccccc2S(=O)(=O)c3c1cccc3)CC(=O)O b9b891e0c4f39809724da5faef4fd1ad [0,0,0,0,0,1|3,0,0]=4 48 B23R2.58087 C=CCC(C)CNc1ccccc1S(=O)(=O)c2ccccc2 91cc52d281cb764afc5d84a9c11ac238 [1,0,1,0,0,0|1,0,1]=4 49 B23R2.58087 CCCC(C)CNc1cccnc1S(=O)(=O)c2ccccc2 8938996399797cfd5359cc690f6fe8fe [1,0,1,0,0,0|2,0,0]=4 50 B23R2.58087 COCC(O)CNc1ccccc1S(=O)(=O)c2ccccc2 f48b4db57c8fddda4bbce8d391d1ddd9 [1,0,1,0,0,0|2,0,0]=4 51 B23R2.470023 CC(=CCCNc1ccccc1S(=O)(=O)c2ccccc2)C 5beb1fb47afbe8592f2f514fe991ad5a [1,0,1,0,0,0|1,0,1]=4 52 B23R2.470023 CC(=O)CCCNc1ccccc1S(=O)(=O)c2ccccc2 85687a0c56c6e801e0203f66b8a4ff4f [1,0,1,0,0,0|2,0,0]=4 53 B23R2.470023 CC(C)CCCNc1ccccc1S(=O)(=O)c2ccccc2 13bdb3d6f49a33a0dd6bba1f03da2510 [1,0,1,0,0,0|1,0,0]=3 54 B23R2.470023 CC(C)CCCNc1cccnc1S(=O)(=O)c2ccccc2 33ffdc71e8aeb993d4273ed86125777f [1,0,1,0,0,0|2,0,0]=4 55 B23R2.470023 CC(C)OCCNc1ccccc1S(=O)(=O)c2ccccc2 a9dace0d52a83cbe45cf5d2035e921dd [1,0,1,0,0,0|2,0,0]=4 56 B23R2.470023 CC(C)SCCNc1ccccc1S(=O)(=O)c2ccccc2 ef2e1a376d7cece8331b60325b9d62f4 [1,0,1,0,0,0|2,0,0]=4 57 B23R2.470023 CC(O)CCCNc1ccccc1S(=O)(=O)c2ccccc2 7232aea4c7d677536c3c29015a456205 [1,0,1,0,0,0|2,0,0]=4 58 B23R2.470023 CN(C)CCCNc1ccccc1S(=O)(=O)c2ccccc2 ac07fda2c1013758448fa1c3062eee52 [1,0,1,0,0,0|0,0,0]=2 59 B23R2.470023 CN(C)CCCNc1cccnc1S(=O)(=O)c2ccccc2 91b52374d7f9ad9e66905cb538d059bb [1,0,1,0,0,0|1,0,0]=3 60 B23R2.815797 CC(CNc1ccccc1C(=O)c2ccccc2)CN(C)C 189d682e90dfdd0955c672183cbb3508 [1,0,1,0,0,0|1,0,0]=3 61 B23R2.815797 CC(CNc1ccccc1C(=O)c2ccccn2)CN(C)C 38a87150a65d924c991306571a16cff0 [1,0,1,0,0,0|2,0,0]=4 62 B23R2.815797 CC(CNc1ccccc1C(=O)c2ccncc2)CN(C)C 690b7193bcafa68942dd01c20acba940 [1,0,1,0,0,0|2,0,0]=4 63 B23R2.815797 CC(CNc1ccccc1C(O)c2ccccc2)CN(C)C 335a6d015fdc7b0a283cba9d983d628b [1,0,1,0,0,0|1,0,1]=4 64 B23R2.815797 CC(CNc1cccnc1C(=O)c2ccccc2)CN(C)C a527b1c9989badc1885fadecf9cca0e0 [1,0,1,0,0,0|2,0,0]=4 65 B23R2.815797 CC(CNc1ncccc1C(=O)c2ccccc2)CN(C)C 0a04a9b6c179e3682128a091eeaaf796 [1,0,1,0,0,0|2,0,0]=4 66 B23R2.815797 CC(COc1ccccc1C(=O)c2ccccc2)CN(C)C 05f7b54f3b4c2e42f5cd58141ecec592 [1,0,1,0,0,0|2,0,0]=4 67 B23R2.476963 CN(C)CCCN(c1ccccc1)c2ccccc2C(=O)N 42785a40021c2c7c848dd3a6bdd5946f [1,0,1,0,0,0|2,0,0]=4 68 B23R2.476963 CN(C)CCCN(c1ccccc1)c2ccccc2C(=O)O f02a722673da45cc396ababd14feb888 [1,0,1,0,0,0|1,0,1]=4 69 B23R2.476963 CN(C)CCCN(c1ccccc1)c2ccccc2[N+](=O)[O-] 5005a54da34a412e941caa372a1234ae [1,0,1,0,0,0|1,0,1]=4 70 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Cc3c1cccc3 258852c39a97886a4d9901cab9bcb21b [2,0,0,0,0,0|1,0,0]=3 71 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1cccc3 9c35ac4937b9217807bc5e450d5bdb75 [2,0,0,0,0,0|0,1,0]=3 72 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1ccnc3 26e696f978c70985af3ccced2d21f030 [2,0,0,0,0,0|1,1,0]=4 73 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1cccc3 f2886af30220a042c240b6e04e3138af [2,0,0,0,0,0|0,0,1]=3 74 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1nccc3 179efac4647371c955b31dc134cff9fa [2,0,0,0,0,0|1,0,1]=4 75 B23R3.153683659 C=CCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 d47ce931aac5a88553273f76b6f588a9 [2,0,0,0,0,0|1,0,1]=4 76 B23R3.153683659 COCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 46e4dfdabe19a40099245a1fa23ded55 [2,0,0,0,0,0|1,0,0]=3 77 B23R3.153683659 CSCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 dea57dcd829f8976be7b83980a865f15 [2,0,0,0,0,0|1,0,0]=3 78 B23R3.153683659 N#CCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 94a66e51fce11a784cbdd46720f3b513 [2,0,0,0,0,0|2,0,0]=4 79 B23R3.153683659 O=CCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 902875b6bc6b5c3ac740130d0d8e7a61 [2,0,0,0,0,0|2,0,0]=4 80 B23R3.193116317 CC(CO)CN1c2ccccc2S(=O)(=O)c3c1cccc3 eb00c14843ecf63f22a47a1c4b0165d3 [2,0,0,0,0,0|1,0,0]=3 81 B23R3.193116317 CCC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 9a06ef70f64c40b30da27bd734fdc79a [2,0,0,0,0,0|1,0,1]=4 82 B23R3.193116317 CNC(=O)CN1c2ccccc2S(=O)(=O)c3c1cccc3 3d6e6ae5778f47d8ad348376d810ecd0 [2,0,0,0,0,0|1,0,1]=4 83 B23R3.193116317 COC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 cbe57b4b92f27d8532df46332be3ad65 [2,0,0,0,0,0|1,0,0]=3 84 B23R3.193116317 CO[C@@H](C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 922db284db7f379f7e38dac53134e464 [2,0,0,0,0,0|1,0,0]=3 85 B23R3.193116317 CO[C@H](C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 e432430ca79b8cd18bea486d9f686b4b [2,0,0,0,0,0|1,0,0]=3 86 B23R3.193116317 C[C@@H](CO)CN1c2ccccc2S(=O)(=O)c3c1cccc3 8bebde1a93d49cc36293f310760a089a [2,0,0,0,0,0|1,0,0]=3 87 B23R3.193116317 C[C@H](CO)CN1c2ccccc2S(=O)(=O)c3c1cccc3 06e2023ecd6db9af85d2d15279aa6e3c [2,0,0,0,0,0|1,0,0]=3 88 B23R3.193116317 O=S1(=O)c2ccccc2N(c3c1cccc3)CC(O)CF 9245c428181bc804170bbb31853310aa [2,0,0,0,0,0|2,0,0]=4 89 B25R2.24675 Cc1ccc(cc1)S(=O)(=O)c2ccccc2NCC(C)CN(C)C 7674537e508181bd7a719903ab42cd3e [0,1,1,0,0,0|0,0,0]=2 90 B25R2.24675 Cc1ccc(cc1)S(=O)(=O)c2ncccc2NCC(C)CN(C)C 64bec45f42417fd460a1af2f7022c47a [0,1,1,0,0,0|1,0,0]=3 91 B25R2.1009774 COC(=O)CC(C)CNc1ccccc1S(=O)(=O)c2ccccc2 7e14c6a6d1d8cdee810cf83740b830c9 [0,1,1,0,0,0|2,0,0]=4 92 B25R2.7403056 CC(C)CC(C#N)CNc1ccccc1S(=O)(=O)c2ccccc2 cc17f24b5c30f34f8046b118078c4931 [0,1,1,0,0,0|1,0,1]=4 93 B25R2.25602367 CN(C)CC(C)(C)CNc1cccnc1S(=O)(=O)c2ccccc2 3eb9c675789281ea2f5c8c7aabdc5e00 [0,1,1,0,0,0|1,0,0]=3 94 B25R2.7740642 CC(CN(C)C)CN(c1ccc(cc1)Br)c2ccccc2C(=O)O 23139e6ab8fe79af8ea52284199e5a90 [0,1,1,0,0,0|1,0,1]=4 95 B25R2.7740642 CC(CN(C)C)CN(c1ccc(cc1)Br)c2ccccc2[N+](=O)[O-] 518df0f6936d6beef2fc59eaf3d0dadb [0,1,1,0,0,0|1,0,1]=4 96 B25R2.7740642 CC(CN(C)C)CN(c1ccc(cc1)Cl)c2ccccc2C(=O)O 51b44e1efd7ffd885d371ff692a4310f [0,1,1,0,0,0|1,0,1]=4 97 B25R2.7740642 CC(CN(C)C)CN(c1ccc(cc1)Cl)c2ccccc2[N+](=O)[O-] a94749fd5172ba385211f85acc611049 [0,1,1,0,0,0|1,0,1]=4 98 B25R2.7740642 CC(CN(C)C)CN(c1ccc(cc1)F)c2ccccc2C(=O)O 24e836c792f1e4103a3ad1b756712f99 [0,1,1,0,0,0|1,0,1]=4 99 B25R2.7740642 Cc1ccc(cc1)N(CC(C)CN(C)C)c2ccccc2C(=O)O 76c8b6cdb29b0caace115275991db9ad [0,1,1,0,0,0|1,0,1]=4 100 B25R2.7760594 CC(CN(C)C)CN(c1ccccc1)c2ncccc2S(=O)(=O)N 8c7697ed233db566ebd90ea6112082dd [0,1,1,0,0,0|1,0,0]=3 101 B25R2.8085201 CC(CN(C)C)CN(c1cccc(c1)Br)c2ccccc2C(=O)O 1a3958cec58684660c3ea046fc7fd449 [0,1,1,0,0,0|1,0,1]=4 102 B25R2.8085201 CC(CN(C)C)CN(c1cccc(c1)Br)c2ccccc2[N+](=O)[O-] 046f0fb6ca61b11d7ecd9ea9050a434c [0,1,1,0,0,0|1,0,1]=4 103 B25R2.8085201 CC(CN(C)C)CN(c1cccc(c1)Cl)c2ccccc2C(=O)O b45e9e52f107aff217e2628b6e338c53 [0,1,1,0,0,0|1,0,1]=4 104 B25R2.8085201 CC(CN(C)C)CN(c1cccc(c1)F)c2ccccc2C(=O)O 999e138381d93e3a61429261b8ccd0d6 [0,1,1,0,0,0|1,0,1]=4 105 B25R2.8085201 Cc1cccc(c1)N(CC(C)CN(C)C)c2ccccc2C(=O)O f92d65ae94026bdb563d668c0f118fea [0,1,1,0,0,0|1,0,1]=4 106 B25R2.8331499 CC(CN(C)C)CN(c1ccccc1)c2cc(ccc2C(=O)O)Cl 8a1d9561ceba9977b51b0c077c6c1511 [0,1,1,0,0,0|1,0,1]=4 107 B25R2.8331499 CC(CN(C)C)CN(c1ccccc1)c2cc(ccc2[N+](=O)[O-])Br 0069c1bb4f15191f23675c6e84263314 [0,1,1,0,0,0|1,0,1]=4 108 B25R2.8331499 CC(CN(C)C)CN(c1ccccc1)c2cc(ccc2[N+](=O)[O-])Cl 8466c5d72c742badfcf52a53f4cae4d0 [0,1,1,0,0,0|1,0,1]=4 109 B25R2.8331499 CC(CN(C)C)CN(c1ccccc1)c2cc(ccc2[N+](=O)[O-])F 933b5abe01d9666a84f3e1c5f1656850 [0,1,1,0,0,0|1,0,1]=4 110 B25R2.10588155 CC(CN(C)C)CN(c1ccccc1Cl)c2ccccc2C(=O)O 1d6dc5447b8f207a9b0437985b7732c4 [0,1,1,0,0,0|1,0,1]=4 111 B25R2.10588155 CC(CN(C)C)CN(c1ccccc1F)c2ccccc2C(=O)O 2774f3cac5596dd1e9a0206ecf73ccd8 [0,1,1,0,0,0|1,0,1]=4 112 B25R2.10588155 CC(CN(C)C)CN(c1ccccc1F)c2ccccc2[N+](=O)[O-] 1c8c9aecae8b3cb32f98452d1da50cbb [0,1,1,0,0,0|1,0,1]=4 113 B25R2.10588155 Cc1ccccc1N(CC(C)CN(C)C)c2ccccc2C(=O)O bff8011b12552288da866378938d1700 [0,1,1,0,0,0|1,0,1]=4 114 B25R2.14711136 CC(CN(C)C)CN(c1ccccc1)c2ccc(cc2[N+](=O)[O-])Br 282b74bb25434b22a2af7e218f77c15c [0,1,1,0,0,0|1,0,1]=4 115 B25R2.24280055 COC(=O)c1ccccc1N(CC(C)CN(C)C)c2ccccc2 dd70d157ac88b8a5e7dd9f8cc23a9a17 [0,1,1,0,0,0|1,0,1]=4 116 B25R3.389108599 COC(=O)C(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 d812aecd7cc25a6b3ca69c111baa6c04 [1,1,0,0,0,0|1,0,1]=4 117 B25R3.389108599 COC(=O)[C@@H](C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 0204ca15934c18f296d2dc6944e8e354 [1,1,0,0,0,0|1,0,1]=4 118 B25R3.389108599 COC(=O)[C@H](C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 9f1e4c1ba4dcc0f347ebc3f4154d199e [1,1,0,0,0,0|1,0,1]=4 119 B25R3.322883706 CNC(=O)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 6d41a06959899fd0abb62bc2c7d32e2d [1,1,0,0,0,0|2,0,0]=4 120 B25R3.512005006 CC(C)(C)SCCN1c2ccccc2S(=O)(=O)c3c1cccc3 a9965b8597f10a077fb4707b2a4fa1d3 [1,1,0,0,0,0|2,0,0]=4 121 B25R3.512005006 CC(C)(O)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 cbac01e904675c35233264ac7f788d98 [1,1,0,0,0,0|1,0,0]=3 122 B25R3.512005006 CC(F)(F)CCCN1c2ccccc2S(=O)(=O)c3c1cccc3 4bc247a6b9835adf032f73af86fef150 [1,1,0,0,0,0|2,0,0]=4 123 B25R3.1188667537 CN(C)C(=O)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 ab03316dbb9de8d0d21adba13cfdbf26 [1,1,0,0,0,0|0,0,1]=3 124 B25R3.1144569222 CC(C)C(CO)CN1c2ccccc2S(=O)(=O)c3c1cccc3 fdb51d64fbf0b71953a2fee108082b44 [0,1,0,0,1,0|1,0,0]=3 125 B27R3.534771426 COC(=O)CCC(C)CN1c2ccccc2S(=O)(=O)c3c1cccc3 c0fb545fad915cc7877247a335eef553 [0,1,0,0,0,1|2,0,0]=4 126 B27R3.330305576 COC(=O)C[C@H](C)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 6b6a618f9538f9907bc3f84157b05dce [0,1,0,0,0,1|2,0,0]=4 127 B25R3.2521927 CN1CCC(C1)CNc2cccnc2S(=O)(=O)c3ccccc3 3953b67504c7a9caabfb04ba389c83f2 [0,0,1,1,0,0|1,0,0]=3 128 B25R3.17017446 CC1(CC(C1)CNc2ccccc2S(=O)(=O)c3ccccc3)C 153e7215f263f2fb308a2005b56900a1 [0,0,1,1,0,0|1,0,0]=3 129 B25R3.17017446 CC1(CC(C1)CNc2cccnc2S(=O)(=O)c3ccccc3)C d0dd5913379854a4ab912e67a4c86f8b [0,0,1,1,0,0|2,0,0]=4 130 B25R3.208361773 CC(CN(C)C)CN1c2ccccc2CC(=O)c3c1cccc3 d7630c589e040c8ba8811c75890c94cb [0,0,1,1,0,0|2,0,0]=4 131 B25R3.208361773 CC(CN(C)C)CN1c2ccccc2NC(=O)c3c1cccc3 b8f2242efbe4aaf5c7f0f0cff6bf2629 [0,0,1,1,0,0|2,0,0]=4 132 B25R4.1979384713 CC1(CC(C1)CN2c3ccccc3S(=O)c4c2cccc4)C e8c1230280415a3a10b4aed532d485b9 [1,0,0,1,0,0|1,0,1]=4 133 B25R4.411842405 CC1CC(C1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 b3a93781d264c6e2c24d917da0493abd [1,0,0,1,0,0|1,0,0]=3 134 B25R4.2540701844 O=S1(=O)c2ccccc2N(c3c1cccc3)CC(O)C4CC4 016e7ecb8e74f14287a50cb420434cb2 [1,0,0,1,0,0|2,0,0]=4 135 B25R4.4529854286 CC1(CCC1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 a140a53971417a755008b22497fee0c4 [1,0,0,1,0,0|1,0,0]=3 136 B25R4.4529854286 CC1(COC1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 c15986c67df6ceeab49a10d68497dcbb [1,0,0,1,0,0|1,0,0]=3 137 B25R4.4529854286 O=S1(=O)c2ccccc2N(c3c1cccc3)CC4(COC4)F f9f91bffa16d1b21f18fc0ea2a93e1f9 [1,0,0,1,0,0|2,0,0]=4 138 B25R4.4529854284 O=S1(=O)c2ccccc2N(c3c1cccc3)CCOC4CC4 98b9d8879162363e858d557ba84f2413 [1,0,0,1,0,0|2,0,0]=4 139 B27R4.178163313 CC1CCC(CC1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 ab480c08caeb1c33722243e55488c0ae [0,0,0,1,0,1|1,0,0]=3 140 B27R4.448902201 CC(=O)N1CC(C1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 88c9a09a843e06bd9d4e158a3554db81 [0,0,0,1,0,1|2,0,0]=4 141 B27R4.86980350 O=C1CC(CCN1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 dd7083be705d9e9c93f276bd850bace5 [0,1,0,1,0,0|2,0,0]=4 142 B27R4.508074735 COC(=O)[C@@H]1C[C@H]1CN2c3ccccc3S(=O)(=O)c4c2cccc4 1f388e173c3c5589f7980d17f402546f [0,1,0,1,0,0|2,0,0]=4 143 B27R4.715888345 CC1(CS(=O)(=O)C1)CN2c3ccccc3S(=O)(=O)c4c2cccc4 2ea6d9de023509a19a7a259fc7d8c907 [0,1,0,1,0,0|2,0,0]=4 144 B27R5.312799316 O=S1(=O)c2ccccc2N(c3c1cccc3)CC45CC(C4)(C5)F 525b6324d7f871a713507d2159f9e3c2 [0,0,0,2,0,0|2,0,0]=4 145 B27R5.312799316 O=S1(=O)c2ccccc2N(c3c1cccc3)CC45CC(C4)(C5)O 235b77df0ffdb4670ae27b35ad2b02f5 [0,0,0,2,0,0|2,0,0]=4 146 B23R2.474628 CC(C)CC(C)Nc1ccccc1S(=O)(=O)c2ccccc2 42dfc2e6c09b07e4d282fdd5ede2e0a6 [0,0,1,0,1,0|1,0,0]=3 147 B23R2.474628 CC(C)CC(C)Nc1cccnc1S(=O)(=O)c2ccccc2 8371fe1d22e8e034e45c4db59120deef [0,0,1,0,1,0|2,0,0]=4 148 B23R2.477328 CC(C)C(C)CNc1ccccc1S(=O)(=O)c2ccccc2 efcd2e3aa129b0acf8b1160a553013a2 [0,0,1,0,1,0|1,0,0]=3 149 B23R2.477328 CC(C)C(C)CNc1cccnc1S(=O)(=O)c2ccccc2 3521fa7b8927d73bf75c3b10eddd6f78 [0,0,1,0,1,0|2,0,0]=4 150 B23R2.477328 CN(C)C(=O)CNc1ccccc1S(=O)(=O)c2ccccc2 1c87bce7f2b658e45506be9eafb8bfa0 [0,0,1,0,1,0|1,0,1]=4 151 B23R2.815839 CC(CNc1[nH]ncc1S(=O)(=O)c2ccccc2)CN(C)C a1f9159038ee4dc1b34be1af2cef2750 [0,0,1,0,1,0|2,0,0]=4 152 B23R2.815839 CC(CNc1cscc1S(=O)(=O)c2ccccc2)CN(C)C e7c6dcbac5617ca65f3ba9052fbb9696 [0,0,1,0,1,0|1,0,0]=3 153 B23R3.165695865 CC(CC#N)N1c2ccccc2S(=O)(=O)c3c1cccc3 599aec562d1b9c2a761a0afb545cf0e8 [1,0,0,0,1,0|2,0,0]=4 154 B23R3.149537494 C=C(C)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 8d7474c2f0147a0f6cbf6e07c7f9c2c9 [1,0,0,0,1,0|1,0,1]=4 155 B23R3.149537494 CC(=CCN1c2ccccc2S(=O)(=O)c3c1cccc3)C b68e3ba9145cd3cb94871cd1aef8cfe4 [1,0,0,0,1,0|1,0,1]=4 156 B23R3.149537494 CC(C)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 2614bbb4ad2227b6ab0542c10414e573 [1,0,0,0,1,0|1,0,0]=3 157 B23R3.149537494 CC(O)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 83d4669f22226dbd004d85ac5e096308 [1,0,0,0,1,0|2,0,0]=4 158 B23R3.149537494 CS(=O)CCN1c2ccccc2S(=O)(=O)c3c1cccc3 a33835f5f089911863627f4bfdb7d233 [1,0,0,0,1,0|2,0,0]=4 159 B25R2.1381622 CC(CNc1ccccc1S(=O)(=O)Nc2ccccc2)CN(C)C 4eb723164a5cdebe5df5172f84fb6c21 [0,0,1,0,0,1|0,0,0]=2 160 B25R2.1381622 CC(CNc1ccccc1S(=O)(=O)Oc2ccccc2)CN(C)C 47158f66dc568ee750b6e105448e3b4d [0,0,1,0,0,1|0,0,0]=2 161 B25R2.1381622 CC(CNc1ncccc1S(=O)(=O)Nc2cccnc2)CN(C)C a8b6792eb21af4fb7c13ec74901d11ca [0,0,1,0,0,1|2,0,0]=4 162 B25R2.7754174 CC(CN(C)C)NCc1ccccc1CS(=O)(=O)c2ccccc2 7a4ccdab548401968d7021e064afda39 [0,0,1,0,0,1|2,0,0]=4 163 B25R2.7754174 CC(CN(C)C)OCc1ccccc1CS(=O)(=O)c2ccccc2 f2dde48b4b39fee9784e924909d5073b [0,0,1,0,0,1|2,0,0]=4 164 B25R2.7754174 CC(CNc1ccccc1NS(=O)(=O)c2ccccc2)CN(C)C 2adae4237b09519cf20a8684ee2a4532 [0,0,1,0,0,1|0,0,0]=2 165 B25R2.7754174 C[C@@H](CN(C)C)NCc1ccccc1CS(=O)(=O)c2ccccc2 2887f71ccba4d3a35491f400d0c9465e [0,0,1,0,0,1|2,0,0]=4 166 B25R2.7754174 C[C@@H](CN(C)C)OCc1ccccc1CS(=O)(=O)c2ccccc2 2e23f9e21ece09b187e31e90eb51cd09 [0,0,1,0,0,1|2,0,0]=4 167 B25R2.7754174 C[C@H](CN(C)C)NCc1ccccc1CS(=O)(=O)c2ccccc2 7feee76dba06784a68e88e5b88f20de2 [0,0,1,0,0,1|2,0,0]=4 168 B25R2.7754174 C[C@H](CN(C)C)OCc1ccccc1CS(=O)(=O)c2ccccc2 73de409be8e1b7d997964ee641bb399d [0,0,1,0,0,1|2,0,0]=4 169 B25R2.8463317 CC(=O)OCC(C)CNc1ccccc1S(=O)(=O)c2ccccc2 b605a29e1b892cd9acb09efbde4ea99d [0,0,1,0,0,1|2,0,0]=4 170 B25R2.8463317 CC(C)CCC(C)CNc1ccccc1S(=O)(=O)c2ccccc2 23e5f3d1224b3aa818f75c1853d3c0dc [0,0,1,0,0,1|1,0,0]=3 171 B25R2.8463317 CC(C)CCC(C)CNc1cccnc1S(=O)(=O)c2ccccc2 47bd43b5370f366e518ed4f26f01a9bf [0,0,1,0,0,1|2,0,0]=4 172 B25R2.725772 CC(CN(C)C)CN(Cc1ccccc1)c2ccccc2C(=O)O f8018c03843cb43a2456530846ac7779 [0,0,1,0,0,1|1,0,1]=4 173 B25R2.725772 CC(CN(C)C)CN(Cc1ccccc1)c2ccccc2[N+](=O)[O-] 66dd6c50df4edb18eb012c3277a7661b [0,0,1,0,0,1|1,0,1]=4 174 B25R2.25626166 CC(CN(C)C)CN(c1ccccc1)c2ccccc2CC(=O)O 3d694758445f83783b1e2d37746000a9 [0,0,1,0,0,1|1,0,1]=4 175 B25R3.230114443 CC(=O)CCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 9b4cd0505c4672ec76d4571eefde7a10 [1,0,0,0,0,1|2,0,0]=4 176 B25R3.230114443 CC(=O)NCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 90e2d316883dde48c0a810e2f9cffd56 [1,0,0,0,0,1|2,0,0]=4 177 B25R3.230114443 CC(=O)OCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 97f7262f85371e9efb612a0ce3ddf19a [1,0,0,0,0,1|2,0,0]=4 178 B25R3.230114443 CC(=O)SCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 08c6a09d24423d0a55d93c867b5280b1 [1,0,0,0,0,1|2,0,0]=4 179 B25R3.230114443 CC(=S)OCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 19b13e89a25e9f27116d491168b81344 [1,0,0,0,0,1|2,0,0]=4 180 B25R3.230114443 CC(C)CCCCN1c2ccccc2S(=O)(=O)c3c1cccc3 b74bd28415f6814a4539dc0ee805f297 [1,0,0,0,0,1|1,0,0]=3