0 B25R3.54736069 CC(C)CC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N 58dc9eaa1a719b649c06a723169ec158 [0,0,0,0,0,0|2,0,1]=3 1 B25R3.54736069 CC(C)NC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N c06f0db05147a75e95b7133460c70fd3 [0,0,0,0,0,0|3,0,1]=4 2 B25R3.54736069 CC(C)OC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N 9a5310b6a77b203894e8eaa79ff2aebe [0,0,0,0,0,0|3,0,1]=4 3 B25R3.54736069 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)C#N 83c6205664509973afae697b5e7f63c9 [0,0,0,0,0,0|0,0,0]=0 4 B25R3.54736069 COc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C 3bdcd8de112f1265f2a7061e71016fb3 [0,0,0,0,0,0|2,0,0]=2 5 B25R3.54736069 CSc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C 295eb3963db12333ddcdc1e49f320c55 [0,0,0,0,0,0|2,0,0]=2 6 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)Br 64d40695139d88101d5858302a57c390 [1,0,0,0,0,0|1,0,0]=2 7 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)Cl 9fd91d9eb5aef2ce67c67eebb4435d89 [1,0,0,0,0,0|1,0,0]=2 8 B24R3.15111216 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)F 7026352650d71b95ee75018c185bc7c4 [1,0,0,0,0,0|1,0,0]=2 9 B24R3.48064917 C=C(C)CCCN1c2ccccc2Sc3c1cc(cc3)C#N efcaca3b42b2f542d51e51ede1d730dc [1,0,0,0,0,0|1,0,1]=3 10 B24R3.48064917 CC(=CCCN1c2ccccc2Sc3c1cc(cc3)C#N)C 2a5fd505f30df14811907cded6abc709 [1,0,0,0,0,0|1,0,1]=3 11 B24R3.48064917 CC(=O)CCCN1c2ccccc2Sc3c1cc(cc3)C#N 28ad660170286f31afbb0a702f14bd1b [1,0,0,0,0,0|2,0,0]=3 12 B24R3.48064917 CC(=O)NCCN1c2ccccc2Sc3c1cc(cc3)C#N 72b1bc1feb27e7b2917828ae354d18a3 [1,0,0,0,0,0|3,0,0]=4 13 B24R3.48064917 CC(=O)OCCN1c2ccccc2Sc3c1cc(cc3)C#N 9fd9bc542d8740ff2855d07508c14109 [1,0,0,0,0,0|3,0,0]=4 14 B24R3.48064917 CC(=O)SCCN1c2ccccc2Sc3c1cc(cc3)C#N 342296d310e08e250e083db7c00c8f31 [1,0,0,0,0,0|3,0,0]=4 15 B24R3.48064917 CC(C)/C=C/CN1c2ccccc2Sc3c1cc(cc3)C#N 7dcad94d22fb4bde827972a7d6c33a6f [1,0,0,0,0,0|1,0,2]=4 16 B24R3.48064917 CC(C)CCCN1c2ccccc2Sc3c1cc(cc3)C#N c7a2200eaf716be186b1c8fd24772633 [1,0,0,0,0,0|1,0,0]=2 17 B24R3.48064917 CC(C)OCCN1c2ccccc2Sc3c1cc(cc3)C#N 2a8818b22ea52ad4788b4597795d4ad8 [1,0,0,0,0,0|2,0,0]=3 18 B24R3.48064917 CC(O)CCCN1c2ccccc2Sc3c1cc(cc3)C#N d378b84bfd567824274a9871ec5e2cb2 [1,0,0,0,0,0|2,0,0]=3 19 B24R3.48064917 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)C#N b1164f93e5c6b04a3bb6b7b5d2d7d5e0 [1,0,0,0,0,0|0,0,0]=1 20 B24R3.48064917 COc1ccc2c(c1)N(c3ccccc3S2)CCCC(C)C 57388401d47bd80b06e367a31ccb3b8a [1,0,0,0,0,0|3,0,0]=4 21 B24R3.48064917 COc1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C e884984dc00452f9c5669f5b82c677e1 [1,0,0,0,0,0|2,0,0]=3 22 B24R3.48064917 CSc1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C f8284bd89013360d6db395a5eeb81595 [1,0,0,0,0,0|2,0,0]=3 23 B24R3.48064917 N#Cc1ccc2c(c1)N(c3ccccc3S2)CCCC(=O)N 36f1977e7ec38fb8370b27073d3866fa [1,0,0,0,0,0|3,0,0]=4 24 B24R3.282839098 C=CCC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 05a937c42358433fd0b4360a72cf37e9 [1,0,0,0,0,0|1,0,1]=3 25 B24R3.282839098 CCCC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N d54a5b03ba22253389f0636b0d6ba05b [1,0,0,0,0,0|2,0,1]=4 26 B24R3.282839098 CCCC(C)CN1c2ccccc2Sc3c1cc(cc3)OC f8a23c2399c282a70cbb8ee7a0c688ad [1,0,0,0,0,0|3,0,0]=4 27 B24R3.282839098 N#CCC(O)CN1c2ccccc2Sc3c1cc(cc3)C#N 28edb4d882d3beb5cd574556bc00bfe2 [1,0,0,0,0,0|3,0,0]=4 28 B24R3.282839098 N#CC[C@@H](O)CN1c2ccccc2Sc3c1cc(cc3)C#N 62dc959d17fee3029ce98832a4c109de [1,0,0,0,0,0|3,0,0]=4 29 B24R3.282839098 N#CC[C@H](O)CN1c2ccccc2Sc3c1cc(cc3)C#N c7b0ba0f7923c822589c0119990274ee [1,0,0,0,0,0|3,0,0]=4 30 B26R3.25095230 CCSc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C 096e5f3da440a5f6d5452c611cd28a91 [0,1,0,0,0,0|1,0,1]=3 31 B26R3.67337794 CC(C)OC(C)C(=O)N1c2ccccc2Sc3c1cc(cc3)C#N 2bcc8ac5963001d1782df11d4a87bc8a [0,1,0,0,0,0|2,0,1]=4 32 B26R3.67337865 CC(C)CC(C#N)CN1c2ccccc2Sc3c1cc(cc3)C#N e8083e38b7e827041fb7a920f5da5e6b [0,1,0,0,0,0|1,0,1]=3 33 B26R3.67337871 CC(CN1c2ccccc2Sc3c1cc(cc3)C#N)CC(F)(F)F 3c17f0a9eb3c8ff881dcdcc00e6505a1 [0,1,0,0,0,0|3,0,0]=4 34 B26R3.67337872 COC(=O)CC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 03a5000c4aaa23bf72ccf3ad6d080b2a [0,1,0,0,0,0|2,0,0]=3 35 B26R3.1461914358 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C 4b4018af996a3e0a89760f4eec63855d [0,1,0,0,0,0|1,0,1]=3 36 B26R3.1461914358 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)[N+](=O)[O-] ebc2ffc26eaedd81339251275c9da1a2 [0,1,0,0,0,0|2,0,0]=3 37 B24R2.31 CC(CNc1ccccc1Oc2ccc(cc2)C#N)CN(C)C 8ee56ced9b8b5ec12518c05076c53607 [0,0,1,0,0,0|0,1,0]=2 38 B24R2.31 CC(CNc1ccccc1Oc2ccc(cc2)C=O)CN(C)C 65f43e5367b6440f40e8a269e0357344 [0,0,1,0,0,0|1,1,1]=4 39 B24R2.31 CC(CNc1ccccc1Sc2ccc(cc2)C=O)CN(C)C dfe0a6e60b4674591fd46c676a644e8d [0,0,1,0,0,0|1,0,1]=3 40 B24R2.31 CC(CNc1ccccc1Sc2ccc(cn2)C=O)CN(C)C d79d153684388acd7fc461008d2edeec [0,0,1,0,0,0|2,0,1]=4 41 B24R2.31 CN(C)CC(O)CNc1ccccc1Sc2ccc(cc2)C=O 1ee7bf94a068ad61574ba1a18d90d8f1 [0,0,1,0,0,0|2,0,1]=4 42 B24R2.31 COc1ccc(cc1)Oc2ccccc2NCC(C)CN(C)C c7cf1364fd7e8b523e432e72ca174836 [0,0,1,0,0,0|2,1,0]=4 43 B24R2.1201629 CC(C)CC(=O)CNc1cc(ccc1Sc2ccccc2)C#N 41d8452dda85e052faeeaf5c1675141e [0,0,1,0,0,0|2,0,1]=4 44 B24R2.1201629 CC(CNc1cc(ccc1Oc2ccccc2)C=O)CN(C)C b18e4b1d5ad65b6840f5334c47c82f34 [0,0,1,0,0,0|1,1,1]=4 45 B24R2.1201629 CC(CNc1cc(ccc1Oc2ccccc2)CO)CN(C)C 3ba2d87684aeab33b9f3d17e2ab75160 [0,0,1,0,0,0|1,1,1]=4 46 B24R2.1201629 CC(CNc1cc(ccc1Sc2ccccc2)C#N)CN(C)C 3ce015eb5aa9c797aec41087143cb107 [0,0,1,0,0,0|0,0,0]=1 47 B24R2.1201629 COc1ccc(c(c1)NCC(C)CN(C)C)Oc2ccccc2 333ebae4d5ef0961750e9ebe3c118d0a [0,0,1,0,0,0|2,1,0]=4 48 B26R4.1310343 COc1ccc2c(c1)N(c3ccccc3S2)CC4CCN(C4)C e52b062fe72bde6d733e5e853a0aeb6c [0,0,0,1,0,0|2,0,0]=3 49 B26R4.1310343 CSc1ccc2c(c1)N(c3ccccc3S2)CC4CCN(C4)C c0177aba0165386bb0aacdc4e167276a [0,0,0,1,0,0|2,0,0]=3 50 B26R4.1310343 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CCC(=O)N4 283556788c198326347568fa014045e2 [0,0,0,1,0,0|3,0,0]=4 51 B26R4.1310343 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CNC(=O)C4 1d686f43dee26e4e811dfbb4d603a437 [0,0,0,1,0,0|3,0,0]=4 52 B26R4.1310343 N#Cc1ccc2c(c1)N(c3ccccc3S2)C[C@@H]4CCC(=O)N4 d82adf9db6319329c197bcbe857b3109 [0,0,0,1,0,0|3,0,0]=4 53 B26R4.1310343 N#Cc1ccc2c(c1)N(c3ccccc3S2)C[C@H]4CCC(=O)N4 f1fe0efa9b8e9237fe1b2dbd8c9b2e7e [0,0,0,1,0,0|3,0,0]=4 54 B26R4.213809982 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CC4C(=O)O 37f0f3ca07ff49ff2a8c4c595c360170 [0,0,0,1,0,0|3,0,0]=4 55 B26R4.213809982 N#Cc1ccc2c(c1)N(c3ccccc3S2)C[C@@H]4C[C@H]4C(=O)O 44f6f52c014f290aee3ae7a0d0fa8067 [0,0,0,1,0,0|3,0,0]=4 56 B26R4.213813843 CC1(CC(C1)CN2c3ccccc3Sc4c2cc(cc4)C#N)C 3a4cf658d7508232e2d1e02a00b1d367 [0,0,0,1,0,0|1,0,0]=2 57 B26R4.213813843 COc1ccc2c(c1)N(c3ccccc3S2)CC4CC(C4)(C)C 817ea512df7c8f33c2045181404de269 [0,0,0,1,0,0|3,0,0]=4 58 B26R4.213813843 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CC(C4)(F)F b210d0de6e2944d3067590567c600edb [0,0,0,1,0,0|3,0,0]=4 59 B24R3.48067300 CC(C)CC(=O)N1c2ccccc2Sc3c1cc(cc3)C#N a733077910c084a6ead56ea0be47ae20 [0,0,0,0,1,0|2,0,1]=4 60 B24R3.48067300 CC(C)CC(C)N1c2ccccc2Sc3c1cc(cc3)C#N 9b31dc34c95244dcdf2ce0795afdd244 [0,0,0,0,1,0|1,0,0]=2 61 B24R3.48067300 CN(C)CC(=O)N1c2ccccc2Sc3c1cc(cc3)C#N 4a1d71600c16e99f995b4b58c7b77d50 [0,0,0,0,1,0|1,0,1]=3 62 B24R3.48067300 COc1ccc2c(c1)N(c3ccccc3S2)C(C)CC(C)C 6dac57cb4ac631ff99507606c13a032b [0,0,0,0,1,0|3,0,0]=4 63 B24R3.48067301 CC(C)C(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N 25c7c639181d9ab63d042ef2b5b46cc4 [0,0,0,0,1,0|2,0,1]=4 64 B24R3.48067301 CC(C)C(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 82deca3051317d0b62575cd926de4bea [0,0,0,0,1,0|1,0,0]=2 65 B24R3.48067301 CN(C)C(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N bce5738dc5f68fbd4aa558de45f2e0b2 [0,0,0,0,1,0|1,0,1]=3 66 B24R3.48067301 COc1ccc2c(c1)N(c3ccccc3S2)CC(C)C(C)C 5f4093a7f07c45bb6a73d49d90007ee1 [0,0,0,0,1,0|3,0,0]=4 67 B26R3.67337778 CC(C)CC(=O)OCN1c2ccccc2Sc3c1cc(cc3)C#N 5e894b7389f3f26c6924c3263e5c9f1b [0,0,0,0,0,1|2,0,1]=4 68 B26R3.67341162 CC(=O)OCC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N cdb5952f5af49650d8ced29faddcd8d9 [0,0,0,0,0,1|2,0,0]=3 69 B26R3.67341162 CC(=O)OCC(O)CN1c2ccccc2Sc3c1cc(cc3)C#N 3312f23947ae0d4f99c05fd0503545ce [0,0,0,0,0,1|3,0,0]=4 70 B26R3.67341162 CC(C)CNC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N 0369989b71be2f915cdfd10a1d6e8b34 [0,0,0,0,0,1|2,0,1]=4 71 B23R2.67 CC(C)CCCNc1ccccc1Oc2ccc(cc2)C#N 990d49a86f38b34b6ce35d50c5a33222 [1,0,1,0,0,0|1,1,0]=4 72 B23R2.67 CN(C)CCCNc1ccccc1Oc2ccc(cc2)C#N 90d7deb6071924e287affd14c30ef70d [1,0,1,0,0,0|0,1,0]=3 73 B23R2.67 CN(C)CCCNc1ccccc1Sc2ccc(cc2)C=O 93403765837145b6a77a6af3e843aa4f [1,0,1,0,0,0|1,0,1]=4 74 B23R2.4041 CC(CNc1ccccc1Oc2ccc(cc2)Br)CN(C)C 3416561bf1822c7b8990450503c03489 [1,0,1,0,0,0|1,1,0]=4 75 B23R2.4041 CC(CNc1ccccc1Oc2ccc(cc2)Cl)CN(C)C 736d90fb94d2cbcc396d1ff010759ec3 [1,0,1,0,0,0|1,1,0]=4 76 B23R2.4041 CC(CNc1ccccc1Oc2ccc(cc2)F)CN(C)C f5c779e59118aab8694fec1337b639e5 [1,0,1,0,0,0|1,1,0]=4 77 B23R2.4041 CC(CNc1ccccc1Oc2ccc(cc2)I)CN(C)C fc835150a8473f3ff045f8c8a097965c [1,0,1,0,0,0|1,1,0]=4 78 B23R2.4041 CC(CNc1ccccc1Sc2ccc(cc2)Br)CN(C)C dcafb68f790be841a21b99291a3dbc9f [1,0,1,0,0,0|1,0,0]=3 79 B23R2.4041 CC(CNc1ccccc1Sc2ccc(cc2)Cl)CN(C)C 937d34123a57048353a36824f7122b11 [1,0,1,0,0,0|1,0,0]=3 80 B23R2.4041 CC(CNc1ccccc1Sc2ccc(cc2)F)CN(C)C 07534ca5cfb67452c8349b94ed0d1bdf [1,0,1,0,0,0|1,0,0]=3 81 B23R2.4041 CC(CNc1cccnc1Sc2ccc(cc2)Cl)CN(C)C 0d332df383d1365ee52e91c85fdcc808 [1,0,1,0,0,0|2,0,0]=4 82 B23R2.4041 Cc1ccc(cc1)Oc2ccccc2NCC(C)CN(C)C 12ddc4e21a5c0f91979388d775cf25b2 [1,0,1,0,0,0|0,1,1]=4 83 B23R2.4041 Cc1ccc(cc1)Sc2ccccc2NCC(C)CN(C)C 4a790f3f499afd586ab9b03761ce6d13 [1,0,1,0,0,0|0,0,1]=3 84 B23R2.622757 CCCC(C)CNc1ccccc1Oc2ccc(cc2)C#N 4b0165642f542d7c69caf49baf564b38 [1,0,1,0,0,0|1,1,0]=4 85 B23R2.93497 CC(CN(C)C)CN(c1ccccc1)c2cccc(c2)C=O 7d304ea642f03bc714b7a206e412a0e4 [1,0,1,0,0,0|1,0,1]=4 86 B23R2.93497 CC(CN(C)C)CN(c1ccccc1)c2cccc(c2)CO 5c87165a51991670e8b8a4aae27e3ded [1,0,1,0,0,0|1,0,1]=4 87 B23R2.93497 COc1cccc(c1)N(CC(C)CN(C)C)c2ccccc2 e41de09724af84b2b6145396313ee5fa [1,0,1,0,0,0|2,0,0]=4 88 B23R2.57697 C=CCC(C)CNc1cc(ccc1Sc2ccccc2)C#N 8e1e52d758164e93c392144ae936ceff [1,0,1,0,0,0|1,0,1]=4 89 B23R2.57697 CCCC(C)CNc1cc(ccc1Sc2ccccc2)C#N 4aa22acbb05967147268abd0dc5606b1 [1,0,1,0,0,0|1,0,0]=3 90 B23R2.57697 COCC(O)CNc1cc(ccc1Sc2ccccc2)C#N 5c8e02de6fcffeae165a549c7006827c [1,0,1,0,0,0|2,0,0]=4 91 B23R2.396942 CC(CNc1cc(ccc1Oc2ccccc2)Br)CN(C)C ed18ec93d930146659226a8193ae3861 [1,0,1,0,0,0|1,1,0]=4 92 B23R2.396942 CC(CNc1cc(ccc1Oc2ccccc2)Cl)CN(C)C 192f6f125bc02c3146391ab5269db8b1 [1,0,1,0,0,0|1,1,0]=4 93 B23R2.396942 CC(CNc1cc(ccc1Oc2ccccc2)F)CN(C)C 52b64596b01569a87b977fc574c5e3cc [1,0,1,0,0,0|1,1,0]=4 94 B23R2.396942 Cc1ccc(c(c1)NCC(C)CN(C)C)Oc2ccccc2 8aa10026af29a4fbc62996856d1a327e [1,0,1,0,0,0|0,1,1]=4 95 B23R2.921357 C=C(C)CCCNc1cc(ccc1Sc2ccccc2)C#N 22bd2f9fdfbb86df05864d94c55aff0b [1,0,1,0,0,0|1,0,1]=4 96 B23R2.921357 CC(=CCCNc1cc(ccc1Sc2ccccc2)C#N)C af7d144dbc1682d75b287e654fa6c95c [1,0,1,0,0,0|1,0,1]=4 97 B23R2.921357 CC(=O)CCCNc1cc(ccc1Sc2ccccc2)C#N 31239f58ca0040cd8225bf36c0f53761 [1,0,1,0,0,0|2,0,0]=4 98 B23R2.921357 CC(C)CCCNc1cc(ccc1Sc2ccccc2)C#N 96fb6ace53980e712bbbb4ec4db94200 [1,0,1,0,0,0|1,0,0]=3 99 B23R2.921357 CC(C)OCCNc1cc(ccc1Sc2ccccc2)C#N 7abda79a55ead8f5cc7bad7e7457ba9a [1,0,1,0,0,0|2,0,0]=4 100 B23R2.921357 CC(C)SCCNc1cc(ccc1Sc2ccccc2)C#N 3ffe80d70cffc34606fb736c5d17f6c2 [1,0,1,0,0,0|2,0,0]=4 101 B23R2.921357 CC(O)CCCNc1cc(ccc1Sc2ccccc2)C#N 6fcc9bf7c43503d9582adefa9a029188 [1,0,1,0,0,0|2,0,0]=4 102 B23R2.921357 CN(C)CCCNc1cc(ccc1Sc2ccccc2)C#N 0adbd251eed8dc14d0e6e22cc99af616 [1,0,1,0,0,0|0,0,0]=2 103 B23R2.5030442 Cc1cccc(c1)N(CC(C)CN(C)C)c2ccccc2C 218423246db74f917f17b22633fa7165 [1,0,1,0,0,0|1,0,1]=4 104 B23R3.10324912 CC(C)CCCN1c2ccccc2Sc3c1cc(cc3)F b9420809cb5b3e312dc3532d425f843b [2,0,0,0,0,0|2,0,0]=4 105 B23R3.10324912 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl 8c0fb030f1b8652e71153979801a3a7f [2,0,0,0,0,0|1,0,0]=3 106 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Cc3c1cccc3 258852c39a97886a4d9901cab9bcb21b [2,0,0,0,0,0|1,0,0]=3 107 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1cccc3 9c35ac4937b9217807bc5e450d5bdb75 [2,0,0,0,0,0|0,1,0]=3 108 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Oc3c1ccnc3 26e696f978c70985af3ccced2d21f030 [2,0,0,0,0,0|1,1,0]=4 109 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1cccc3 f2886af30220a042c240b6e04e3138af [2,0,0,0,0,0|0,0,0]=2 110 B23R3.71886310 CC(CN(C)C)CN1c2ccccc2Sc3c1nccc3 179efac4647371c955b31dc134cff9fa [2,0,0,0,0,0|1,0,0]=3 111 B23R3.153680852 C=CCCCN1c2ccccc2Sc3c1cc(cc3)C#N c35a9bdeb090c86704ef69d86e582d59 [2,0,0,0,0,0|1,0,1]=4 112 B23R3.153680852 COCCCN1c2ccccc2Sc3c1cc(cc3)C#N 35a2b8e0ade805bc9407b3065d9e2e2d [2,0,0,0,0,0|1,0,0]=3 113 B23R3.153680852 CSCCCN1c2ccccc2Sc3c1cc(cc3)C#N 1bbfc0e1b23ef16ba9926f00abfde76f [2,0,0,0,0,0|1,0,0]=3 114 B23R3.153680852 N#CCCCN1c2ccccc2Sc3c1cc(cc3)C#N 7fd3bf6cf4865d09101b604d6bef740a [2,0,0,0,0,0|2,0,0]=4 115 B23R3.153680852 N#Cc1ccc2c(c1)N(c3ccccc3S2)CCCC=O 6c0b997233da19a6c987f30b89022a3a [2,0,0,0,0,0|2,0,0]=4 116 B23R3.153680852 N#Cc1ccc2c(c1)N(c3ccccc3S2)CCCCO 5214e3db758f934e4a4342dad1a694a1 [2,0,0,0,0,0|2,0,0]=4 117 B23R3.31148176 CC(CO)CN1c2ccccc2Sc3c1cc(cc3)C#N cd5f79d743e9b3532645f7dfc02ecc3f [2,0,0,0,0,0|1,0,0]=3 118 B23R3.31148176 CCC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N d6fc4dd0ee1d79c476fd0d45ff695030 [2,0,0,0,0,0|1,0,1]=4 119 B23R3.31148176 CCC(C)CN1c2ccccc2Sc3c1cc(cc3)OC 761f0edf1bcd036bf4c7040ae9cdc3c8 [2,0,0,0,0,0|2,0,0]=4 120 B23R3.31148176 CC[C@@H](C)CN1c2ccccc2Sc3c1cc(cc3)OC ba9cea11207924d2655738f4926a6665 [2,0,0,0,0,0|2,0,0]=4 121 B23R3.31148176 CC[C@H](C)CN1c2ccccc2Sc3c1cc(cc3)OC 249e8781833f336ddd33d4fd953848c4 [2,0,0,0,0,0|2,0,0]=4 122 B23R3.31148176 CNC(=O)CN1c2ccccc2Sc3c1cc(cc3)C#N 689e2d4e3ab1d10e565c333ad856dc70 [2,0,0,0,0,0|1,0,1]=4 123 B23R3.31148176 COC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 88c01dad4e6ac168bd28c7ab4ef9a96f [2,0,0,0,0,0|1,0,0]=3 124 B23R3.31148176 CO[C@@H](C)CN1c2ccccc2Sc3c1cc(cc3)C#N 49b431939b4836c3fe848a70e9361d46 [2,0,0,0,0,0|1,0,0]=3 125 B23R3.31148176 CO[C@H](C)CN1c2ccccc2Sc3c1cc(cc3)C#N c4f8ed9954b2e5c93df8d35ed5223855 [2,0,0,0,0,0|1,0,0]=3 126 B23R3.31148176 C[C@@H](CO)CN1c2ccccc2Sc3c1cc(cc3)C#N 96e0357b6da6e8368c27a0bf56e83473 [2,0,0,0,0,0|1,0,0]=3 127 B23R3.31148176 C[C@H](CO)CN1c2ccccc2Sc3c1cc(cc3)C#N 369f82387401a9b961017c7bdda2f7a9 [2,0,0,0,0,0|1,0,0]=3 128 B23R3.31148176 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC(O)CF 4ca3e39449c6aa19b74cb8896b6d1194 [2,0,0,0,0,0|2,0,0]=4 129 B25R2.10290 CC(C)CC(CO)CNc1ccccc1Oc2ccc(cc2)C#N 081bb55d45920c722e5aa868a8a271fe [0,1,1,0,0,0|1,1,0]=4 130 B25R2.58529 CC(CNc1ccccc1Sc2ccc(c(c2)O)C=O)CN(C)C 7d2653eb95ea9fa2409eabd31240841c [0,1,1,0,0,0|1,0,1]=4 131 B25R2.140111 CC(C)(O)CC(O)CNc1cc(ccc1Sc2ccccc2)C#N 0657e4616442050e2525287d396704f7 [0,1,1,0,0,0|2,0,0]=4 132 B25R2.1504918 CC(CNc1cc(ccc1Sc2ccc(cc2)Cl)C#N)CN(C)C a479afc7945b1b097490078f32e07483 [0,1,1,0,0,0|0,0,0]=2 133 B25R2.1504918 Cc1ccc(cc1)Sc2ccc(cc2NCC(C)CN(C)C)C#N 2d353d1b6eb2b8b9cc33c116e33d10a3 [0,1,1,0,0,0|0,0,0]=2 134 B25R2.28926851 CN(C)CC(C)(C)CNc1cc(ccc1Sc2ccccc2)C#N 804b85406ec8cde7be68780458432c3b [0,1,1,0,0,0|0,0,0]=2 135 B25R2.28926893 CC(C)CC(C#N)CNc1cc(ccc1Sc2ccccc2)C#N b2722c8e0c305edb18d89c42f807ae0c [0,1,1,0,0,0|1,0,1]=4 136 B25R2.28970095 COC(=O)CC(C)CNc1cc(ccc1Sc2ccccc2)C#N 528be7a40b461ddc9d65b79bce69b4f9 [0,1,1,0,0,0|2,0,0]=4 137 B25R3.19874373 CCOc1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C 88e651988f1296f8bcb770991fa2fec4 [1,1,0,0,0,0|1,0,1]=4 138 B25R3.19874373 CCSc1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C d6b21d8b4d91a74e21c388039169841a [1,1,0,0,0,0|1,0,1]=4 139 B25R3.19874373 CN(C)CC/C=C\1/c2ccccc2Sc3c1cc(cc3)NC#N 8fa2476bc67c69f02f22eefd9021c7b7 [1,1,0,0,0,0|1,0,1]=4 140 B25R3.19874373 CN(C)CCC=C1c2ccccc2Sc3c1cc(cc3)NC#N 9bf46e07536852889b650764e6c7dd64 [1,1,0,0,0,0|1,0,1]=4 141 B25R3.19874373 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)OCF 53ed42306149a72884bb0a9e55acad93 [1,1,0,0,0,0|1,0,1]=4 142 B25R3.54736021 CNC(=O)CCCN1c2ccccc2Sc3c1cc(cc3)C#N dffc7d0b03ae0ee99f290868b684f149 [1,1,0,0,0,0|2,0,0]=4 143 B25R3.54736021 COC(=O)CCCN1c2ccccc2Sc3c1cc(cc3)C#N 7814cf943a58fc800aca01945871f0b6 [1,1,0,0,0,0|2,0,0]=4 144 B25R3.54736023 CN(C)C(=O)CCN1c2ccccc2Sc3c1cc(cc3)C#N e000ae7f256165edc41f49efebca6058 [1,1,0,0,0,0|0,0,1]=3 145 B25R3.54738851 CC(C)(C)OCCN1c2ccccc2Sc3c1cc(cc3)C#N ebe5502b74909cf464b1afdfd356c67c [1,1,0,0,0,0|2,0,0]=4 146 B25R3.54738851 CC(C)(C)SCCN1c2ccccc2Sc3c1cc(cc3)C#N 38faa49af0c2157c3836c99468bc1b4f [1,1,0,0,0,0|2,0,0]=4 147 B25R3.54738851 CC(C)(O)CCCN1c2ccccc2Sc3c1cc(cc3)C#N bb180e21293e794d4e595b63b510db70 [1,1,0,0,0,0|1,0,0]=3 148 B25R3.54738851 CC(F)(F)CCCN1c2ccccc2Sc3c1cc(cc3)C#N 0856717a4f6c8f6afa753cba66bf2212 [1,1,0,0,0,0|2,0,0]=4 149 B25R3.319289155 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C 97f15dc16b754a67e9e719ebe607e922 [1,1,0,0,0,0|1,0,1]=4 150 B25R3.54738853 COC(=O)C(C)CN1c2ccccc2Sc3c1cc(cc3)C#N 86a58df9aea5f8ef4b784793e77422df [1,1,0,0,0,0|1,0,1]=4 151 B25R3.54738853 COC(=O)[C@@H](C)CN1c2ccccc2Sc3c1cc(cc3)C#N 6e5dc44206b8f3878f03a85b5b5b96cc [1,1,0,0,0,0|1,0,1]=4 152 B25R3.54738853 COC(=O)[C@H](C)CN1c2ccccc2Sc3c1cc(cc3)C#N 5953e145489f748a9e5f58bf44cd5691 [1,1,0,0,0,0|1,0,1]=4 153 B25R3.54736071 CC(C)C(CO)CN1c2ccccc2Sc3c1cc(cc3)C#N 68343ccf4a66fd3feb347c456ef84f42 [0,1,0,0,1,0|1,0,0]=3 154 B27R3.74995802 CC(C)CC(C)CC(=O)N1c2ccccc2Sc3c1cc(cc3)C#N 7265faae92a0d85a8a2cd94f3717d511 [0,1,0,0,0,1|1,0,0]=3 155 B27R3.74995812 COC(=O)C[C@H](C)CCN1c2ccccc2Sc3c1cc(cc3)C#N 5e824331202853207fa0f095eaaf6ced [0,1,0,0,0,1|2,0,0]=4 156 B27R3.74995877 COC(=O)CCC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N bdf3d8d47f9f45d29e024d92f28aba5d [0,1,0,0,0,1|2,0,0]=4 157 B27R3.372492249 CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C 3bad8162a81f21f18cf3fe17ec79c29f [0,2,0,0,0,0|1,0,1]=4 158 B27R3.446956689 CN(C)CC(F)(F)C(=O)N1c2ccccc2Sc3c1cc(cc3)C#N 88b2bd66b4d1cee377603a2acc184544 [0,2,0,0,0,0|1,0,1]=4 159 B27R3.501127320 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)C(F)(F)F 327522e60cda798b5fccf09ca43f9fb7 [0,2,0,0,0,0|1,0,1]=4 160 B27R3.501127320 CC(CN(C)C)CN1c2ccccc2Sc3c1cc(cc3)S(=O)(=O)C e6646daa6852741560e2886e608c7e32 [0,2,0,0,0,0|2,0,0]=4 161 B25R3.42064 CN1CCC(C1)CNc2ccccc2Oc3ccc(cc3)C#N 2172505e460d488549a9565349841876 [0,0,1,1,0,0|0,1,0]=3 162 B25R3.2853424 CC1(CC(C1)CNc2ccccc2Oc3ccc(cc3)C#N)C 00e0a88c69116c5ed53c16a2ec0f2af7 [0,0,1,1,0,0|1,1,0]=4 163 B25R3.2279404 CN1CCC(C1)CNc2cc(ccc2Sc3ccccc3)C#N 32af1327561fdbac27b406a8a278ab0d [0,0,1,1,0,0|0,0,0]=2 164 B25R3.55237192 CC1(CC(C1)CNc2cc(ccc2Sc3ccccc3)C#N)C 90635eb92a09e48932e681f7714d29a0 [0,0,1,1,0,0|1,0,0]=3 165 B25R3.1209883 CC(CN(C)C)CN1c2ccccc2Sc3c1cccc3C#N 0653620071404408d19bcec055cfcef8 [0,0,1,1,0,0|0,0,0]=2 166 B25R4.243069537 CC1(CC(C1)CN2c3ccccc3Sc4c2cc(cc4)F)C 5efb2de99e85ddced44b3ce832b6eb10 [1,0,0,1,0,0|2,0,0]=4 167 B25R4.83393363 N#Cc1ccc2c(c1)N(c3ccccc3S2)CCOC4CC4 7be7f5c33c75c2bbcc530167497a4b18 [1,0,0,1,0,0|2,0,0]=4 168 B25R4.1153378 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CCOC4 fd70b2e71a67cc126fc49f53281c971c [1,0,0,1,0,0|1,0,0]=3 169 B25R4.83393368 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC(O)C4CC4 972b169ff7c3ee8dcd403271d454318a [1,0,0,1,0,0|2,0,0]=4 170 B25R4.645098921 CC1(CCC1)CN2c3ccccc3Sc4c2cc(cc4)C#N 2824def6edd2a5aeab069b9d46ab7665 [1,0,0,1,0,0|1,0,0]=3 171 B25R4.645098921 CC1(COC1)CN2c3ccccc3Sc4c2cc(cc4)C#N e05e41be37bda4bdda9a502999e616c4 [1,0,0,1,0,0|1,0,0]=3 172 B25R4.645098921 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4(COC4)F b60cb02dcf2109d5e3ad37426c434849 [1,0,0,1,0,0|2,0,0]=4 173 B27R4.1306678 CC1CCC(CC1)CN2c3ccccc3Sc4c2cc(cc4)C#N e1a1c5a7ef60624aace2d858307ca9cc [0,0,0,1,0,1|1,0,0]=3 174 B27R4.1306678 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CCC(=O)NC4 38658e041ab8f410829f9f83aa5ba36a [0,0,0,1,0,1|2,0,0]=4 175 B27R4.210932847 CC(=O)N1CC(C1)CN2c3ccccc3Sc4c2cc(cc4)C#N 16bd3b1c41c682510d62e94e75ab1cc0 [0,0,0,1,0,1|2,0,0]=4 176 B27R4.45559373 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC4CCNC(=O)C4 3a68334f91dba5e03f7a90315bbbd9d8 [0,1,0,1,0,0|2,0,0]=4 177 B27R4.210928771 CN1CC(C1=O)(C)CN2c3ccccc3Sc4c2cc(cc4)C#N ee3109c968e6139105255266763bb865 [0,1,0,1,0,0|0,0,1]=3 178 B27R4.210928774 CC1(CS(=O)(=O)C1)CN2c3ccccc3Sc4c2cc(cc4)C#N 22debb7499cd8ac51b13c294a3457602 [0,1,0,1,0,0|2,0,0]=4 179 B27R4.60086432 CCN1CCC(C1)CN2c3ccccc3Sc4c2cc(cc4)OC 9a559b5d1f2102136f559a060dbee840 [0,1,0,1,0,0|2,0,0]=4 180 B27R4.60086432 CCN1CCC(C1)CN2c3ccccc3Sc4c2cc(cc4)SC b256332af4f8f65f1cf711e15c52594b [0,1,0,1,0,0|2,0,0]=4 181 B27R4.210928515 COC(=O)[C@@H]1C[C@H]1CN2c3ccccc3Sc4c2cc(cc4)C#N 81a9dc1ee127fc45173ed20c43cae01d [0,1,0,1,0,0|2,0,0]=4 182 B27R4.571297985 CN1CC(CC1=O)CN2c3ccccc3Sc4c2cc(cc4)C#N 6c210da43a3961fabb8766f745eee3a1 [0,1,0,1,0,0|0,0,1]=3 183 B27R5.199353171 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC45CC(C4)CO5 ffc056e25ec004115f172cce46dc4466 [0,0,0,2,0,0|2,0,0]=4 184 B27R5.199353171 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC45COC(C4)C5 d2a2a3d62798cecef7bf49de65e4cc8b [0,0,0,2,0,0|2,0,0]=4 185 B27R5.199353172 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC45CC(C4)(C5)F c1bb0db49f673a8b0de64d8fa23b6abe [0,0,0,2,0,0|2,0,0]=4 186 B27R5.199353172 N#Cc1ccc2c(c1)N(c3ccccc3S2)CC45CC(C4)(C5)O 09b6d7691ba12bad89d74bcb800b66d4 [0,0,0,2,0,0|2,0,0]=4 187 B23R2.39 CC(CNc1ccccc1c2ccc(cc2)C#N)CN(C)C 663c77c04539a8acc153fe66c8db1aea [0,0,1,0,1,0|0,0,0]=2 188 B23R2.39 CC(CNc1ccccc1c2ccc(cc2)C=O)CN(C)C 308acb5300b57b80682ddf9e0b24896c [0,0,1,0,1,0|1,0,1]=4 189 B23R2.39 CC(CNc1ccccc1c2ccc(cn2)C#N)CN(C)C 7d0510891d70f4f03514d7b7fa0f0460 [0,0,1,0,1,0|1,0,0]=3 190 B23R2.39 CC(CNc1ccncc1c2ccc(cc2)C#N)CN(C)C edd4891961398471ee6d165c83a457cc [0,0,1,0,1,0|1,0,0]=3 191 B23R2.39 CC(COc1ccccc1c2ccc(cc2)C#N)CN(C)C bb79f95b549b540a9df3e75c248f6736 [0,0,1,0,1,0|1,0,0]=3 192 B23R2.39 COc1ccc(cc1)c2ccccc2NCC(C)CN(C)C 4d7848d26bd7fc271c95783d0797b57b [0,0,1,0,1,0|2,0,0]=4 193 B23R2.39 CSc1ccc(cc1)c2ccccc2NCC(C)CN(C)C 278222c73dc700bcddfe968b652f03d0 [0,0,1,0,1,0|2,0,0]=4 194 B23R2.70 CC(C)C(C)CNc1ccccc1Oc2ccc(cc2)C#N ebfc3d8fbe416f1481fb3556b4ca4333 [0,0,1,0,1,0|1,1,0]=4 195 B23R2.70 CC(CNc1ccccc1Sc2ccc(cc2)C=O)N(C)C a8804825f5aee62f4ac9e5cc669ba671 [0,0,1,0,1,0|1,0,1]=4 196 B23R2.9316 CC(C)CC(C)Nc1ccccc1Oc2ccc(cc2)C#N 5e02b2b756cb2e27b0856515b743ec1d [0,0,1,0,1,0|1,1,0]=4 197 B23R2.9316 CC(CN(C)C)Nc1ccccc1Sc2ccc(cc2)C=O bd38eb284bdd9168651470b595b4d8a8 [0,0,1,0,1,0|1,0,1]=4 198 B23R2.9316 C[C@@H](CN(C)C)Nc1ccccc1Sc2ccc(cc2)C=O 1f07bd8080530fb9c96ba40d3db58e8e [0,0,1,0,1,0|1,0,1]=4 199 B23R2.9316 C[C@H](CN(C)C)Nc1ccccc1Sc2ccc(cc2)C=O 034f3ba651974585a1aa81410800ade4 [0,0,1,0,1,0|1,0,1]=4 200 B23R2.919650 CCc1ccc(c(c1)NCC(C)CN(C)C)c2ccccc2 89ced434399ad4c5faa974a491bdf788 [0,0,1,0,1,0|1,0,1]=4 201 B23R2.919650 COc1ccc(c(c1)NCC(C)CN(C)C)c2ccccc2 d70ef0d8e01ce257e4518c2b7697b574 [0,0,1,0,1,0|2,0,0]=4 202 B23R2.919667 CC(C)C(C)CNc1cc(ccc1Sc2ccccc2)C#N 0305b0635a468dad74baddc760bea35b [0,0,1,0,1,0|1,0,0]=3 203 B23R2.919667 CN(C)C(=O)CNc1cc(ccc1Sc2ccccc2)C#N f3a638144408d5d2651abcf7e13383b2 [0,0,1,0,1,0|1,0,1]=4 204 B23R2.920822 CC(C)CC(C)Nc1cc(ccc1Sc2ccccc2)C#N e88d6d9544febd48016ffabd09996d3a [0,0,1,0,1,0|1,0,0]=3 205 B23R2.4771076 CC(CNc1c(ccn1Cc2ccccc2)C#N)CN(C)C 2a6f88e22cec731b251a97eeeb0919c2 [0,0,1,0,1,0|2,0,0]=4 206 B23R2.12956775 CC(CNc1cc(cn1Cc2ccccc2)C#N)CN(C)C 0efb450eff6599027f20ae84f71673e4 [0,0,1,0,1,0|2,0,0]=4 207 B23R3.10326070 CC(C)C(C)CN1c2ccccc2Sc3c1cc(cc3)F 5c89dd1bf77b643a3045dd7e151824f3 [1,0,0,0,1,0|2,0,0]=4 208 B23R3.1793712 C=C(C)CCN1c2ccccc2Sc3c1cc(cc3)C#N efbc3de1e5e55ddcbc9c7636fc3d84f9 [1,0,0,0,1,0|1,0,1]=4 209 B23R3.1793712 CC(=CCN1c2ccccc2Sc3c1cc(cc3)C#N)C b42ec871f676bbf9de446e4a9c43a77a [1,0,0,0,1,0|1,0,1]=4 210 B23R3.1793712 CC(=O)CCN1c2ccccc2Sc3c1cc(cc3)C#N c90a208bc716e90a92fe17356d18d6cc [1,0,0,0,1,0|2,0,0]=4 211 B23R3.1793712 CC(C)CCN1c2ccccc2Sc3c1cc(cc3)C#N 85add7c601816484cf4951f0fc5af52c [1,0,0,0,1,0|1,0,0]=3 212 B23R3.1793712 CC(O)CCN1c2ccccc2Sc3c1cc(cc3)C#N c177553e0659e635d41d9cb5fc9959f1 [1,0,0,0,1,0|2,0,0]=4 213 B23R3.1793712 COc1ccc2c(c1)N(c3ccccc3S2)CCN(C)C 0cfb1aa7fd446844691aaaf4c761c393 [1,0,0,0,1,0|2,0,0]=4 214 B23R3.165693427 CC(CC#N)N1c2ccccc2Sc3c1cc(cc3)C#N e85a33b077e6fb21814c0b7407972e16 [1,0,0,0,1,0|2,0,0]=4 215 B25R2.10296 CC(C)CCC(C)CNc1ccccc1Oc2ccc(cc2)C#N 21ac00c7d235471cf4cacca00c653e32 [0,0,1,0,0,1|1,1,0]=4 216 B25R2.5891559 CC(COC(c1ccccc1)c2cc(ccc2F)C#N)CN(C)C 5231fd3b57f85338a9f3f4582a5fcb44 [0,0,1,0,0,1|2,0,0]=4 217 B25R2.140109 CC(=O)OCC(C)CNc1cc(ccc1Sc2ccccc2)C#N d119436170021ea8f112e2a7babc5fa3 [0,0,1,0,0,1|2,0,0]=4 218 B25R2.28970092 CC(COc1cc(ccc1OCc2ccccc2)C#N)CN(C)C 52cdc13da18efd5eb488519f13d7f747 [0,0,1,0,0,1|1,1,0]=4 219 B25R3.18472874 CC(COC1c2ccccc2Sc3c1cc(cc3)Cl)CN(C)C b88f416e5191e9db900e6bf2d6121cd7 [1,0,0,0,0,1|2,0,0]=4 220 B25R3.124290764 CC(CN(C)C)CN1c2ccccc2CCc3c1cc(cc3)Cl b37f9ad6191c90977feb60b39dd20b49 [1,0,0,0,0,1|2,0,0]=4 221 B25R3.54736020 CC(=O)CCCCN1c2ccccc2Sc3c1cc(cc3)C#N 10bae9934c889688deeae9d341d20fdb [1,0,0,0,0,1|2,0,0]=4 222 B25R3.54736020 CC(=O)NCCCN1c2ccccc2Sc3c1cc(cc3)C#N 52b604b1d27dc2982037fb3dc625678c [1,0,0,0,0,1|2,0,0]=4 223 B25R3.54736020 CC(=O)OCCCN1c2ccccc2Sc3c1cc(cc3)C#N a6d25727213302afa39e9eeaba554c57 [1,0,0,0,0,1|2,0,0]=4 224 B25R3.54736020 CC(=O)SCCCN1c2ccccc2Sc3c1cc(cc3)C#N 2c350eb39dce780510219884619b4b3b [1,0,0,0,0,1|2,0,0]=4 225 B25R3.54736020 CC(=S)OCCCN1c2ccccc2Sc3c1cc(cc3)C#N f68fa43a5f12f6cb14790f0e439dace3 [1,0,0,0,0,1|2,0,0]=4 226 B25R3.54736020 CC(C)CCCCN1c2ccccc2Sc3c1cc(cc3)C#N 1c9088cf4b19f807e1eac66f32022a31 [1,0,0,0,0,1|1,0,0]=3 227 B25R3.54736020 CC(C)COCCN1c2ccccc2Sc3c1cc(cc3)C#N 8cf53f1feba4fc69b9cc05edf0c369b0 [1,0,0,0,0,1|1,0,0]=3 228 B25R3.54736020 COc1ccc2c(c1)N(c3ccccc3S2)CCCCN(C)C 0685f3a78b81c94e95b908a055d25330 [1,0,0,0,0,1|2,0,0]=4 229 B25R3.54736020 CSc1ccc2c(c1)N(c3ccccc3S2)CCCCN(C)C 1cca888fd57327d5cd320cd7ad9077b2 [1,0,0,0,0,1|2,0,0]=4