0 B16R2.100 CCOC(c1ccccc1)c2ncc[nH]2 2370e84c9181707d93dea022cdecf377 [0,0,1,0,0,0|1,0,2]=4 1 B16R2.2257 c1ccc(cc1)CCCNc2ncc[nH]2 a4573d4a8a5fbcaa7559629ef991d502 [0,0,1,0,0,0|1,0,2]=4 2 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 71f4472c7bf96cf04178e5e4605fce72 [0,0,1,0,0,0|1,0,2]=4 3 B16R2.2257 c1ccc(cc1)CCNCc2ncn[nH]2 9cc6951951128fcfe099fd76a7d3a54f [0,0,1,0,0,0|2,0,1]=4 4 B16R2.2257 c1ccc(cc1)CCNCc2nnn[nH]2 e872f5afe7a1b244d720798d66a35e4d [0,0,1,0,0,0|3,0,0]=4 5 B16R2.2257 c1ccc(cc1)CCOCc2ncc[nH]2 8da1e664dfe4a8a746d2cca646cf635c [0,0,1,0,0,0|1,0,2]=4 6 B16R2.2257 c1ccc(cc1)CNCCc2ncc[nH]2 e3d346a017730ef94dd4e22485e75866 [0,0,1,0,0,0|1,0,2]=4 7 B16R2.2257 c1ccc(cc1)CNCCc2nnn[nH]2 2bb7ebb0dca54fe648c9b174e1ec109f [0,0,1,0,0,0|3,0,0]=4 8 B16R2.2257 c1ccc(cc1)COCCc2ncc[nH]2 4a73bcb4d1ac69a3f971e10936515968 [0,0,1,0,0,0|1,0,2]=4 9 B16R2.2257 c1ccc(cc1)NCCCc2ncc[nH]2 b7ee5d8cc6df6adc3c259291d4453ff9 [0,0,1,0,0,0|1,0,2]=4 10 B16R2.50359 CCCCNC1CCCc2c1cccc2 c724252ae06d3a30b86fe959c8521af8 [0,0,1,0,0,0|3,0,0]=4 11 B16R2.50359 CCCCN[C@@H]1CCCc2c1cccc2 f89ef8687a4d857fc4e209fb03570ec0 [0,0,1,0,0,0|3,0,0]=4 12 B16R2.50359 CCCCN[C@H]1CCCc2c1cccc2 14ba98d6db4168ef9e917f76d51a0405 [0,0,1,0,0,0|3,0,0]=4 13 B16R2.50359 CCCCOC1CCCc2c1cccc2 f5e3527cc0446b94f9867ac174502316 [0,0,1,0,0,0|3,0,0]=4 14 B16R2.50359 CCCCO[C@@H]1CCCc2c1cccc2 573d549f1edb6ee8daf4be5641226084 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.50359 CCCCO[C@H]1CCCc2c1cccc2 fffabf62d51845debcd95f6bcd015f4b [0,0,1,0,0,0|3,0,0]=4 16 B16R2.50359 CCCNCC1OCCc2c1cccc2 cd63a38cb99ff44bbb665e7acb354587 [0,0,1,0,0,0|2,0,1]=4 17 B16R2.50359 CCCOCC1CCCc2c1cccc2 03d08fed5d568a4e4a3f467afaa423bb [0,0,1,0,0,0|2,0,1]=4 18 B16R2.50359 FCCCNC1CCCc2c1cccc2 1ff9ed11b899544975fa05021225dced [0,0,1,0,0,0|3,0,0]=4 19 B16R2.50359 FCCCN[C@@H]1CCCc2c1cccc2 5182a456fe58e78459cdf3da0798d3f7 [0,0,1,0,0,0|3,0,0]=4 20 B16R2.50359 FCCCN[C@H]1CCCc2c1cccc2 14e2d4a723bc751cc8b3a23c16047ba6 [0,0,1,0,0,0|3,0,0]=4 21 B16R2.50359 FCCCOC1CCCc2c1cccc2 9fd7cd5a4c3971fdbeedfb64a579d45b [0,0,1,0,0,0|3,0,0]=4 22 B16R2.50359 FCCCO[C@@H]1CCCc2c1cccc2 55ca83a2f281255180432d5e15ff575a [0,0,1,0,0,0|3,0,0]=4 23 B16R2.50359 FCCCO[C@H]1CCCc2c1cccc2 25437b596cd7a07c303d2a2d535106db [0,0,1,0,0,0|3,0,0]=4 24 B16R2.50359 FCCNCC1OCCc2c1cccc2 d5df94da45fdf5fd3b4c82be8d084fb8 [0,0,1,0,0,0|2,0,1]=4 25 B16R2.50359 FCCOCC1CCCc2c1cccc2 ed21b5aafae7bd0062cc42be558d9129 [0,0,1,0,0,0|2,0,1]=4 26 B16R2.50359 OCCCNC1CCCc2c1cccc2 71747d634a315543b1b040a02beaa9c4 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.50359 OCCCN[C@@H]1CCCc2c1cccc2 3c007afaf771f32c02cf399bf2f9e5eb [0,0,1,0,0,0|3,0,0]=4 28 B16R2.50359 OCCCN[C@H]1CCCc2c1cccc2 e0b870e3f4471690a2995257b085ecdd [0,0,1,0,0,0|3,0,0]=4 29 B16R2.50359 OCCNCC1OCCc2c1cccc2 e9a20088c9c640ef64ed248b8e3d5b63 [0,0,1,0,0,0|2,0,1]=4 30 B16R2.50359 SCCCNC1CCCc2c1cccc2 c7915cce2f03f93cd700c8f69bc06f79 [0,0,1,0,0,0|3,0,0]=4 31 B16R2.50359 SCCCN[C@@H]1CCCc2c1cccc2 a5b27553fc62513c4ae24e061485d1df [0,0,1,0,0,0|3,0,0]=4 32 B16R2.50359 SCCCN[C@H]1CCCc2c1cccc2 9dcc119fcd1f6bdc90452efe4c5c002c [0,0,1,0,0,0|3,0,0]=4 33 B16R2.50359 SCCCOC1CCCc2c1cccc2 bb599158e51730e7528581fe8dc4f8a5 [0,0,1,0,0,0|3,0,0]=4 34 B16R2.50359 SCCCO[C@@H]1CCCc2c1cccc2 ac59512b85e865a0a0ec58a793ffebdc [0,0,1,0,0,0|3,0,0]=4 35 B16R2.50359 SCCCO[C@H]1CCCc2c1cccc2 f6ccd4a1f161900b7fa6f2c9b4b761ba [0,0,1,0,0,0|3,0,0]=4 36 B16R2.50359 SCCNCC1OCCc2c1cccc2 5f85eab365b526f06b042617c6daa1f0 [0,0,1,0,0,0|2,0,1]=4 37 B16R2.50359 SCCOCC1CCCc2c1cccc2 e543ab8029bff1ce3c5aac3e2f4590fb [0,0,1,0,0,0|2,0,1]=4 38 B16R2.160202 CCCC(=O)N1CCCc2c1cccc2 9e0890df38c7dfba9f519901d5bf4fd6 [0,0,1,0,0,0|3,0,0]=4 39 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 b05a1e108ee0d46598d789ce0a620c1e [0,0,1,0,0,0|3,0,0]=4 40 B16R2.160202 CCCN(C)[C@H]1CCCc2c1cccc2 927e1968e883d32f835386055da9c165 [0,0,1,0,0,0|3,0,0]=4 41 B16R2.160202 N#CNC(=O)C1CCCc2c1cccc2 1078fbec77630f664c00ef15d4779798 [0,0,1,0,0,0|2,0,1]=4 42 B16R2.160202 N#CNC(=O)[C@@H]1CCCc2c1cccc2 9672fe828fd03fd368973f2f9adfa3ac [0,0,1,0,0,0|2,0,1]=4 43 B16R2.160202 N#CNC(=O)[C@H]1CCCc2c1cccc2 2b62f1e8c2bb1fad875d2092901e62f8 [0,0,1,0,0,0|2,0,1]=4 44 B18R3.11 c1ccc2c(c1)CCCC2NC3CCCC3 47ea16b5866aa2856c0fc379145de97f [0,0,0,0,0,1|2,0,1]=4 45 B18R3.11 c1ccc2c(c1)CCCC2Nc3ncco3 1c72650b0b5af007e17273ca37082e2b [0,0,0,0,0,1|1,0,2]=4 46 B18R3.11 c1ccc2c(c1)CCCC2OC3CCCC3 4cd1a0d7518aa48385db03c64212c751 [0,0,0,0,0,1|2,0,1]=4 47 B18R3.11 c1ccc2c(c1)CCCN2Cc3ncc[nH]3 773cb0be65c72154c8f839be55f3b1e7 [0,0,0,0,0,1|1,0,2]=4 48 B18R3.11 c1ccc2c(c1)CCC[C@@H]2NC3CCCC3 340c24e075dd56c9c6cf74788c854f2b [0,0,0,0,0,1|2,0,1]=4 49 B18R3.11 c1ccc2c(c1)CCC[C@@H]2Nc3ncco3 b59a0b690894ecdc1f1464cebe378133 [0,0,0,0,0,1|1,0,2]=4 50 B18R3.11 c1ccc2c(c1)CCC[C@@H]2OC3CCCC3 bed2b43eaa3a18ad715c740e5bc7e97e [0,0,0,0,0,1|2,0,1]=4 51 B18R3.11 c1ccc2c(c1)CCC[C@H]2NC3CCCC3 f710c55c81f36bb2e75084cf7b1df1d7 [0,0,0,0,0,1|2,0,1]=4 52 B18R3.11 c1ccc2c(c1)CCC[C@H]2Nc3ncco3 e8fe7fd69ce34c80fc4f81e2073351d5 [0,0,0,0,0,1|1,0,2]=4 53 B18R3.11 c1ccc2c(c1)CCC[C@H]2OC3CCCC3 6b1d5f11c66470631f5848a7411b410f [0,0,0,0,0,1|2,0,1]=4 54 B18R3.11 c1ccc2c(c1)COCC2Nc3ncc[nH]3 3dac84344be26840d23d98bb182e0ba4 [0,0,0,0,0,1|1,0,2]=4 55 B15R2.18471 C#CCNC1CCCc2c1cccc2 1fe1f35d6303087ace4a3ca1ded97710 [1,0,1,0,0,0|1,0,1]=4 56 B15R2.18471 C#CCN[C@@H]1CCCc2c1cccc2 38934a9a6996092638827b4e7056a593 [1,0,1,0,0,0|1,0,1]=4 57 B15R2.18471 C#CCN[C@H]1CCCc2c1cccc2 b452d5e1c44784c524404223487cecad [1,0,1,0,0,0|1,0,1]=4 58 B15R2.18471 C=CCNC1CCCc2c1cccc2 4f4a18df37dadd242c793f28e40347fe [1,0,1,0,0,0|1,0,1]=4 59 B15R2.18471 C=CCN[C@@H]1CCCc2c1cccc2 ecba534c6bf8211cb7176d8043edc800 [1,0,1,0,0,0|1,0,1]=4 60 B15R2.18471 C=CCN[C@H]1CCCc2c1cccc2 f11dfa1e06be141dbd2fdbcd1df598d1 [1,0,1,0,0,0|1,0,1]=4 61 B15R2.18471 CCCNC1CCCc2c1cccc2 7a204ca51dc23c3f3ee11c94eb62bfd4 [1,0,1,0,0,0|1,0,0]=3 62 B15R2.18471 CCCNC1CCCc2c1cccn2 b0f650106417f063ae1879bc92d304eb [1,0,1,0,0,0|2,0,0]=4 63 B15R2.18471 CCCNC1CCCc2c1cncc2 84c5b97cffdd3e2811ed133364c598ff [1,0,1,0,0,0|2,0,0]=4 64 B15R2.18471 CCCNC1CCCc2c1nccc2 aeb5cf89a4b3d178297a861917aa4a97 [1,0,1,0,0,0|2,0,0]=4 65 B15R2.18471 CCCNC1CCOc2c1cccc2 d3de5f5207c7fd1ef08e1fc6fbbee8e2 [1,0,1,0,0,0|2,0,0]=4 66 B15R2.18471 CCCNC1CCSc2c1cccc2 0c710ee79214f3e05d137ee37edca12e [1,0,1,0,0,0|2,0,0]=4 67 B15R2.18471 CCCNC1COCc2c1cccc2 39c496502e1bebaf681948f6440b91d7 [1,0,1,0,0,0|2,0,0]=4 68 B15R2.18471 CCCN[C@@H]1CCCc2c1cccc2 43bec335d73fb6f7982a1e2bb028f469 [1,0,1,0,0,0|1,0,0]=3 69 B15R2.18471 CCCN[C@@H]1CCCc2c1nccc2 d2f7197b1a83dcbdc19842535dee1e21 [1,0,1,0,0,0|2,0,0]=4 70 B15R2.18471 CCCN[C@@H]1CCOc2c1cccc2 b64468ff6628bd1933c32a4e38fc5461 [1,0,1,0,0,0|2,0,0]=4 71 B15R2.18471 CCCN[C@H]1CCCc2c1cccc2 16c0db0228393a2b8608e29d5efa06d0 [1,0,1,0,0,0|1,0,0]=3 72 B15R2.18471 CCCN[C@H]1CCCc2c1nccc2 4917d4cf2a0b271c1f9e9351240b5bc8 [1,0,1,0,0,0|2,0,0]=4 73 B15R2.18471 CCCN[C@H]1CCOc2c1cccc2 fef6b3fba7160476a7bde24ba9bc6697 [1,0,1,0,0,0|2,0,0]=4 74 B15R2.18471 CCCOC1CCCc2c1cccc2 42b8e2a7e68862d167e6617d479a3437 [1,0,1,0,0,0|2,0,0]=4 75 B15R2.18471 CCCO[C@@H]1CCCc2c1cccc2 f990b9d44983c38b0cc6d1bdbd9de6fd [1,0,1,0,0,0|2,0,0]=4 76 B15R2.18471 CCCO[C@H]1CCCc2c1cccc2 821199c89ff809f1e08e4bd0eb93c22f [1,0,1,0,0,0|2,0,0]=4 77 B15R2.18471 CCNCC1OCCc2c1cccc2 e69272bea8bb3a90be920113a27ab907 [1,0,1,0,0,0|1,0,1]=4 78 B15R2.18471 CCOCC1CCCc2c1cccc2 4ed56d3d19fd4b08ef422e89e9720ad6 [1,0,1,0,0,0|1,0,1]=4 79 B15R2.18471 COCNC1CCCc2c1cccc2 9afdaabcf5419c9bf1f673a1296774e2 [1,0,1,0,0,0|2,0,0]=4 80 B15R2.18471 COCN[C@@H]1CCCc2c1cccc2 c35e45a230a08b714b93fd1410abecc2 [1,0,1,0,0,0|2,0,0]=4 81 B15R2.18471 COCN[C@H]1CCCc2c1cccc2 8249debddd4f96d498513985cf8a6d69 [1,0,1,0,0,0|2,0,0]=4 82 B15R2.18471 CSCNC1CCCc2c1cccc2 257a91aee47d77f660211053a7f4035e [1,0,1,0,0,0|2,0,0]=4 83 B15R2.18471 CSCN[C@@H]1CCCc2c1cccc2 3b2402450a4de1c31528127e8bf2923b [1,0,1,0,0,0|2,0,0]=4 84 B15R2.18471 CSCN[C@H]1CCCc2c1cccc2 f1c97515a17c77a7d6531260d6c29ea3 [1,0,1,0,0,0|2,0,0]=4 85 B15R2.18471 FCCNC1CCCc2c1cccc2 593cd64b5151774ce24ccef68fd281ec [1,0,1,0,0,0|1,0,0]=3 86 B15R2.18471 FCCNC1CCCc2c1cccn2 e87793230b96ec461e7ca92f8d5bbd4f [1,0,1,0,0,0|2,0,0]=4 87 B15R2.18471 FCCNC1CCCc2c1cncc2 c45e9136436298c71f6f76118d544783 [1,0,1,0,0,0|2,0,0]=4 88 B15R2.18471 FCCNC1CCCc2c1nccc2 793351b8234d91e0ff9ab0f5b76f6cb1 [1,0,1,0,0,0|2,0,0]=4 89 B15R2.18471 FCCNC1CCOc2c1cccc2 c038a2c4372d3b8b3f365776b6249572 [1,0,1,0,0,0|2,0,0]=4 90 B15R2.18471 FCCNC1CCSc2c1cccc2 7577c9184a9cb2461ae767d002c6c666 [1,0,1,0,0,0|2,0,0]=4 91 B15R2.18471 FCCNC1COCc2c1cccc2 f4209a71eb82f893e61fff1f30c3a7fe [1,0,1,0,0,0|2,0,0]=4 92 B15R2.18471 FCCN[C@@H]1CCCc2c1cccc2 a43912c6f9140530cdbe74f74c5dca33 [1,0,1,0,0,0|1,0,0]=3 93 B15R2.18471 FCCN[C@@H]1CCCc2c1nccc2 f9422846f44f10c688eb197b59f32e9b [1,0,1,0,0,0|2,0,0]=4 94 B15R2.18471 FCCN[C@@H]1CCOc2c1cccc2 2f9a785f2ee27f01f35ad3bc85b445a0 [1,0,1,0,0,0|2,0,0]=4 95 B15R2.18471 FCCN[C@H]1CCCc2c1cccc2 0fd7befbde4b6fa9a06072b9faf8c5a1 [1,0,1,0,0,0|1,0,0]=3 96 B15R2.18471 FCCN[C@H]1CCCc2c1nccc2 38f05a7200fe1e8b141ef78e2fcf4a2f [1,0,1,0,0,0|2,0,0]=4 97 B15R2.18471 FCCN[C@H]1CCOc2c1cccc2 bb2634ef407abd342251cb4ec6d15af1 [1,0,1,0,0,0|2,0,0]=4 98 B15R2.18471 FCCOC1CCCc2c1cccc2 043c9e17189f1a2c835d88958233f78f [1,0,1,0,0,0|2,0,0]=4 99 B15R2.18471 FCCO[C@@H]1CCCc2c1cccc2 ba18d09fb73ea932e005d0d02e87c759 [1,0,1,0,0,0|2,0,0]=4 100 B15R2.18471 FCCO[C@H]1CCCc2c1cccc2 fc4858bea9103bfb08e9a982ffaef102 [1,0,1,0,0,0|2,0,0]=4 101 B15R2.18471 N#CCNC1CCCc2c1cccc2 a5e986b934e8753588f37203ff569ee2 [1,0,1,0,0,0|0,0,2]=4 102 B15R2.18471 N#CCN[C@@H]1CCCc2c1cccc2 b9d9a73ffc4160ac5aba5e8bcb472ca8 [1,0,1,0,0,0|0,0,2]=4 103 B15R2.18471 N#CCN[C@H]1CCCc2c1cccc2 6b9d0867afd33d9a4d6879e7de5c7636 [1,0,1,0,0,0|0,0,2]=4 104 B15R2.18471 O=CCNC1CCCc2c1cccc2 4a330f279d9ad8fadd7a24a54a051249 [1,0,1,0,0,0|1,0,1]=4 105 B15R2.18471 O=CCN[C@@H]1CCCc2c1cccc2 9fb047c11968fd00ea3c3b38b1beaa05 [1,0,1,0,0,0|1,0,1]=4 106 B15R2.18471 O=CCN[C@H]1CCCc2c1cccc2 09a8a19f89e41ca6c3f13e6039a6ce13 [1,0,1,0,0,0|1,0,1]=4 107 B15R2.18471 OCCNC1CCCc2c1cccc2 63dd1150cba7281b7eefb0bf36c57045 [1,0,1,0,0,0|1,0,0]=3 108 B15R2.18471 OCCNC1CCCc2c1cccn2 11e69dce925e2a10ebca0e3482306ab5 [1,0,1,0,0,0|2,0,0]=4 109 B15R2.18471 OCCNC1CCCc2c1cncc2 3cfea4519377a92e22f932ae4d6a38d3 [1,0,1,0,0,0|2,0,0]=4 110 B15R2.18471 OCCNC1CCCc2c1nccc2 47100a079477bd4417b3a3dff59b2b53 [1,0,1,0,0,0|2,0,0]=4 111 B15R2.18471 OCCNC1CCOc2c1cccc2 0ac09ba4fbb66c1d0775a6887d606372 [1,0,1,0,0,0|2,0,0]=4 112 B15R2.18471 OCCNC1CCSc2c1cccc2 bdb5f46ed3143ffa3b332b198aada700 [1,0,1,0,0,0|2,0,0]=4 113 B15R2.18471 OCCNC1COCc2c1cccc2 5767f750255998310f3cbd2d5f7caf12 [1,0,1,0,0,0|2,0,0]=4 114 B15R2.18471 OCCN[C@@H]1CCCc2c1cccc2 133f511031e238dc61cd7d9c49ed0eb9 [1,0,1,0,0,0|1,0,0]=3 115 B15R2.18471 OCCN[C@@H]1CCCc2c1nccc2 d49a70105c6ab1148763ad1da5ed16a1 [1,0,1,0,0,0|2,0,0]=4 116 B15R2.18471 OCCN[C@@H]1CCOc2c1cccc2 b27d5849497ddd5a37aec67874ee7775 [1,0,1,0,0,0|2,0,0]=4 117 B15R2.18471 OCCN[C@H]1CCCc2c1cccc2 32cd6d7655b1b4d449c959c216a91f6a [1,0,1,0,0,0|1,0,0]=3 118 B15R2.18471 OCCN[C@H]1CCCc2c1nccc2 40a6d7b44e3e61f7b158c8e0885acd11 [1,0,1,0,0,0|2,0,0]=4 119 B15R2.18471 OCCN[C@H]1CCOc2c1cccc2 ed6cf2aed6e2a57f289b7e7a03fb9e74 [1,0,1,0,0,0|2,0,0]=4 120 B15R2.18471 SCCNC1CCCc2c1cccc2 bc05e2c1ad9cb627e868e20847ae37fa [1,0,1,0,0,0|1,0,0]=3 121 B15R2.18471 SCCNC1CCCc2c1cccn2 198a335e9350bd3e782a6322975a1592 [1,0,1,0,0,0|2,0,0]=4 122 B15R2.18471 SCCNC1CCCc2c1cncc2 bc3a16c876087e9973b65cf756ed9d82 [1,0,1,0,0,0|2,0,0]=4 123 B15R2.18471 SCCNC1CCCc2c1nccc2 45f3bde70756f6ead5eb02e8039b3a5d [1,0,1,0,0,0|2,0,0]=4 124 B15R2.18471 SCCNC1CCOc2c1cccc2 2e742b7a29c4cbb4a79ae9efc51fd817 [1,0,1,0,0,0|2,0,0]=4 125 B15R2.18471 SCCNC1CCSc2c1cccc2 967aebe17a0e2093bcaaf70e865ce51c [1,0,1,0,0,0|2,0,0]=4 126 B15R2.18471 SCCNC1COCc2c1cccc2 375f1d39fd9831229e4281fff62982d6 [1,0,1,0,0,0|2,0,0]=4 127 B15R2.18471 SCCN[C@@H]1CCCc2c1cccc2 3a82c4d9345b909af91ee7bd26394bac [1,0,1,0,0,0|1,0,0]=3 128 B15R2.18471 SCCN[C@@H]1CCCc2c1nccc2 06e7ca807acbd7679b671332f8dbdd87 [1,0,1,0,0,0|2,0,0]=4 129 B15R2.18471 SCCN[C@@H]1CCOc2c1cccc2 c3c5e5691085bcbf02858726f4c561eb [1,0,1,0,0,0|2,0,0]=4 130 B15R2.18471 SCCN[C@H]1CCCc2c1cccc2 60365e74457e01139c916153c651ce4e [1,0,1,0,0,0|1,0,0]=3 131 B15R2.18471 SCCN[C@H]1CCCc2c1nccc2 492ecef1b9db5685bcc45668eec18b50 [1,0,1,0,0,0|2,0,0]=4 132 B15R2.18471 SCCN[C@H]1CCOc2c1cccc2 2457b8f2c3c6d851d0b763db6298281a [1,0,1,0,0,0|2,0,0]=4 133 B15R2.18471 SCCOC1CCCc2c1cccc2 47d8bda5b91fc46b6d579a253f391700 [1,0,1,0,0,0|2,0,0]=4 134 B15R2.18471 SCCO[C@@H]1CCCc2c1cccc2 7a582ca3de9dd7fb5ae11f7fa54eb4bf [1,0,1,0,0,0|2,0,0]=4 135 B15R2.18471 SCCO[C@H]1CCCc2c1cccc2 6150915b8485ffc6e9bb0f4f8798f46f [1,0,1,0,0,0|2,0,0]=4 136 B15R2.79765 CCC(=O)N1CCCc2c1cccc2 2a9ace7421d6bf3cdddbb8521c142500 [1,0,1,0,0,0|2,0,0]=4 137 B15R2.79765 CCN(C)C1CCCc2c1cccc2 77705d7f50fe75501eaf2a1452a46312 [1,0,1,0,0,0|2,0,0]=4 138 B15R2.79765 CCN(C)[C@H]1CCCc2c1cccc2 d6f09063f864cac48dd488e50eef3254 [1,0,1,0,0,0|2,0,0]=4 139 B17R2.42 CCCOC(c1ccccc1)c2ncc[nH]2 a570e08e6d515981645b81a26fe8a649 [0,1,1,0,0,0|0,0,2]=4 140 B17R2.9365 CCCNC[C@@H]1CCCc2c1ccc(c2)Br 2ef53ce7c3aeb292d6fb664e32f57c0c [0,1,1,0,0,0|1,0,1]=4 141 B17R2.9365 FCCNC[C@@H]1CCCc2c1ccc(c2)Br 094301ca9d3f40dd59a260457939807f [0,1,1,0,0,0|1,0,1]=4 142 B17R2.9365 OCCNC[C@@H]1CCCc2c1ccc(c2)Br caf09a37ed77f05cadb5ea1b911b89c0 [0,1,1,0,0,0|1,0,1]=4 143 B17R2.9365 SCCNC[C@@H]1CCCc2c1ccc(c2)Br d41f089a10756b82b085679c29696e5d [0,1,1,0,0,0|1,0,1]=4 144 B17R2.74164 CCCNCC1(CCCc2c1cccc2)O 2728afaa9ce4aa154ed7eecb0602f505 [0,1,1,0,0,0|1,0,1]=4 145 B17R2.74164 OC1(CCCc2c1cccc2)CNCCF 269fd3cfa1f445c13c71477ccd7d17cb [0,1,1,0,0,0|1,0,1]=4 146 B17R2.74164 OC1(CCCc2c1cccc2)CNCCS ec90684f991bcb99b01fbd7d6a73d357 [0,1,1,0,0,0|1,0,1]=4 147 B17R2.74164 OCCNCC1(CCCc2c1cccc2)O 1f7fa6210082d08045c17125b69ef8e5 [0,1,1,0,0,0|1,0,1]=4 148 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 84cc286f06b0b317c4ddb5229b64d528 [0,1,1,0,0,0|1,0,1]=4 149 B17R2.440810 C#CCNC(=O)[C@@H]1CCCc2c1cccc2 4fe401829372782ec086bd9f455c72cf [0,1,1,0,0,0|1,0,1]=4 150 B17R2.440810 C#CCNC(=O)[C@H]1CCCc2c1cccc2 0921f0487b50e4b40e58e3221c7dc012 [0,1,1,0,0,0|1,0,1]=4 151 B17R2.440810 CCCNC(=O)C1CCCc2c1cccc2 938bd78ea7f3dbb4230ae8702ab8a621 [0,1,1,0,0,0|1,0,0]=3 152 B17R2.440810 CCCNC(=O)C1CCOc2c1cccc2 f1b80b9e53ef5fabb90177d0645c36dc [0,1,1,0,0,0|2,0,0]=4 153 B17R2.440810 CCCNC(=O)C1OCCc2c1cccc2 12c9fead52ad18dff953a26ab17f9d6d [0,1,1,0,0,0|2,0,0]=4 154 B17R2.440810 CCCNC(=O)[C@@H]1CCCc2c1cccc2 de0307036e1e06c684de385564e77fe4 [0,1,1,0,0,0|1,0,0]=3 155 B17R2.440810 CCCNC(=O)[C@H]1CCCc2c1cccc2 bd6247de5cc1ff0c5d35312704b94ce2 [0,1,1,0,0,0|1,0,0]=3 156 B17R2.440810 CCCNC(=O)[C@H]1OCCc2c1cccc2 ae0257a039c36ae0d4e61a6f4697d079 [0,1,1,0,0,0|2,0,0]=4 157 B17R2.440810 CCCNC(=S)N1CCCc2c1cccc2 54c157f5a6c2557f80aa2a3639d42a34 [0,1,1,0,0,0|2,0,0]=4 158 B17R2.440810 FCCNC(=S)N1CCCc2c1cccc2 cac7df50b9312a2e874b66253b2af61c [0,1,1,0,0,0|2,0,0]=4 159 B17R2.440810 N#CCNC(=O)C1CCCc2c1cccc2 7eb17211c828ad256b574b616c0fa3f4 [0,1,1,0,0,0|0,0,2]=4 160 B17R2.440810 N#CCNC(=O)[C@@H]1CCCc2c1cccc2 ee3d8cbab151d96531a79217d7d53267 [0,1,1,0,0,0|0,0,2]=4 161 B17R2.440810 N#CCNC(=O)[C@H]1CCCc2c1cccc2 bc043649c40dc8b7df10db34e1c90917 [0,1,1,0,0,0|0,0,2]=4 162 B17R2.440810 NCCNC(=S)N1CCCc2c1cccc2 780f310433bd98a460c6674dfe21fa4d [0,1,1,0,0,0|1,0,1]=4 163 B17R2.440810 O=C(NCCBr)C1CCCc2c1cccc2 f87118a8c8c99fc2870c8c7502f13139 [0,1,1,0,0,0|1,0,0]=3 164 B17R2.440810 O=C(NCCBr)C1CCOc2c1cccc2 93e6beb207151a50529d763d9b6ac096 [0,1,1,0,0,0|2,0,0]=4 165 B17R2.440810 O=C(NCCBr)[C@@H]1CCCc2c1cccc2 63ce574b3affdbb9eb4d2b0aad32ff1c [0,1,1,0,0,0|1,0,0]=3 166 B17R2.440810 O=C(NCCBr)[C@H]1CCCc2c1cccc2 b1096caf8ebc3e2b0380cc29ffdfa422 [0,1,1,0,0,0|1,0,0]=3 167 B17R2.440810 O=C(NCCF)C1CCCc2c1cccc2 a991f3ee355d613c165052c045ec69ec [0,1,1,0,0,0|1,0,0]=3 168 B17R2.440810 O=C(NCCF)C1CCOc2c1cccc2 bb6138e6a80c4f5e3440001ea008b04b [0,1,1,0,0,0|2,0,0]=4 169 B17R2.440810 O=C(NCCF)C1OCCc2c1cccc2 d54f9df78f3ffd686f795592736c672f [0,1,1,0,0,0|2,0,0]=4 170 B17R2.440810 O=C(NCCF)[C@@H]1CCCc2c1cccc2 d61a30fa1ec26cf7c377e9c3b4e38e19 [0,1,1,0,0,0|1,0,0]=3 171 B17R2.440810 O=C(NCCF)[C@H]1CCCc2c1cccc2 170c206bbccfabf36cdbeb7c7e57eea8 [0,1,1,0,0,0|1,0,0]=3 172 B17R2.440810 O=C(NCCF)[C@H]1OCCc2c1cccc2 abfb1acc1373ade13dcad164bfde38f6 [0,1,1,0,0,0|2,0,0]=4 173 B17R2.440810 O=C(NCCI)C1CCCc2c1cccc2 fd06a42bea294f1ed4e9534e5616e7bc [0,1,1,0,0,0|1,0,0]=3 174 B17R2.440810 O=C(NCCI)C1CCOc2c1cccc2 c4863e6d6998b210d01413d13dc42e4d [0,1,1,0,0,0|2,0,0]=4 175 B17R2.440810 O=C(NCCI)C1OCCc2c1cccc2 0a3bd4f9112ca3a466b1367048a3f449 [0,1,1,0,0,0|2,0,0]=4 176 B17R2.440810 O=C(NCCI)[C@@H]1CCCc2c1cccc2 ca3bcbb543623d08bdb5c758fe500fa3 [0,1,1,0,0,0|1,0,0]=3 177 B17R2.440810 O=C(NCCI)[C@H]1CCCc2c1cccc2 ff3f0a7e122cddfef82266b00250c402 [0,1,1,0,0,0|1,0,0]=3 178 B17R2.440810 O=C(NCCI)[C@H]1OCCc2c1cccc2 3f06c7222c554023e9b8128c789725be [0,1,1,0,0,0|2,0,0]=4 179 B17R2.440810 O=C(NCCO)C1CCCc2c1cccc2 445888f95a7d296205f3b49c1bdd781a [0,1,1,0,0,0|1,0,0]=3 180 B17R2.440810 O=C(NCCO)C1CCOc2c1cccc2 08a1d830ed9691ddb85a831f88a4d03e [0,1,1,0,0,0|2,0,0]=4 181 B17R2.440810 O=C(NCCO)C1OCCc2c1cccc2 0a76ba41bca5d3c7209798c5acedf3cb [0,1,1,0,0,0|2,0,0]=4 182 B17R2.440810 O=C(NCCO)[C@@H]1CCCc2c1cccc2 79ae48c115ee9d7378e30b3e4117ad21 [0,1,1,0,0,0|1,0,0]=3 183 B17R2.440810 O=C(NCCO)[C@H]1CCCc2c1cccc2 5e24e53ed3b6c84d90b51e048b1a863a [0,1,1,0,0,0|1,0,0]=3 184 B17R2.440810 O=C(NCCO)[C@H]1OCCc2c1cccc2 d46be1f5343a7fa2c546c6a1e4126caf [0,1,1,0,0,0|2,0,0]=4 185 B17R2.440810 O=C(NCCS)C1CCCc2c1cccc2 a48c6533e1b968458fa35adb2e93fd65 [0,1,1,0,0,0|1,0,0]=3 186 B17R2.440810 O=C(NCCS)C1CCOc2c1cccc2 3710ba720e47a11a7c946643e6274ddb [0,1,1,0,0,0|2,0,0]=4 187 B17R2.440810 O=C(NCCS)C1OCCc2c1cccc2 8036ce736f8a8dd0a9746341a36336e4 [0,1,1,0,0,0|2,0,0]=4 188 B17R2.440810 O=C(NCCS)[C@@H]1CCCc2c1cccc2 cfbc3231004d80cad2c1c8ce3eda9344 [0,1,1,0,0,0|1,0,0]=3 189 B17R2.440810 O=C(NCCS)[C@H]1CCCc2c1cccc2 43968503ff13482d59920fc25b749715 [0,1,1,0,0,0|1,0,0]=3 190 B17R2.440810 O=C(NCCS)[C@H]1OCCc2c1cccc2 1ac42cc4680ddc6bbc595912fcee8a3d [0,1,1,0,0,0|2,0,0]=4 191 B17R2.440810 S=C(NCCS)N1CCCc2c1cccc2 39fad6bb3c2e149c03f0bbbd0d01d944 [0,1,1,0,0,0|2,0,0]=4 192 B17R2.449490 CCN(C)C(=O)C1CCCc2c1cccc2 9599aa62a0ea632811d8c587781eb727 [0,1,1,0,0,0|1,0,0]=3 193 B17R2.449490 CCN(C)C(=O)C1CCOc2c1cccc2 0f4e7b838835a99d395752cadedcb2df [0,1,1,0,0,0|2,0,0]=4 194 B17R2.449490 CCN(C)C(=O)C1OCCc2c1cccc2 4a80f22ecb80095bc1197c7e4f525c93 [0,1,1,0,0,0|2,0,0]=4 195 B17R2.449490 CCN(C)C(=O)[C@@H]1CCCc2c1cccc2 4d47b0e65298c7af56edb471334e9b9f [0,1,1,0,0,0|1,0,0]=3 196 B17R2.449490 CCN(C)C(=O)[C@H]1CCCc2c1cccc2 6c92b6ec0389e50f18a88801b2afdf4f [0,1,1,0,0,0|1,0,0]=3 197 B17R2.449490 CCN(C)C(=O)[C@H]1OCCc2c1cccc2 1ef56e173242c0f1a07bc4101bffb6dc [0,1,1,0,0,0|2,0,0]=4 198 B19R3.2199323 CC1(CCCc2c1cccc2)Nc3ncc[nH]3 349a681226def6a7905e04175609ae1d [0,1,0,0,0,1|0,0,2]=4 199 B15R1.9917 CCNC(=O)C(NCC)c1ccccc1 3a55752e41b0328e5b98d16c6ea7e69d [0,0,2,0,0,0|2,0,0]=4 200 B15R1.35 BrCCNCCCCCc1ccccc1 5dae016b686d2eacbba6f6a62e1a5b4a [0,0,2,0,0,0|1,0,1]=4 201 B15R1.35 CCCNCCCCCc1ccccc1 536c5ca673f53109942ed4b7aba39bd3 [0,0,2,0,0,0|1,0,1]=4 202 B15R1.35 FCCNCCCCCc1ccccc1 c7bbded131de011efbaa2c2c2cfa94c7 [0,0,2,0,0,0|1,0,1]=4 203 B15R1.35 ICCNCCCCCc1ccccc1 53ffd731af7c0b5c3c955aaa8bcff630 [0,0,2,0,0,0|1,0,1]=4 204 B15R1.35 OCCNCCCCCc1ccccc1 4951f5971df42f28e82478f760bce525 [0,0,2,0,0,0|1,0,1]=4 205 B15R1.35 SCCNCCCCCc1ccccc1 ab99d4649b5b75e38590f6ad5474acba [0,0,2,0,0,0|1,0,1]=4 206 B15R1.778 CCNC(=O)CCNCc1ccccc1 5c85ddaf0c78b7946cd9eb8781686d4a [0,0,2,0,0,0|2,0,0]=4 207 B15R1.778 CCNC(=O)CCOCc1ccccc1 6efb9660a51a2559496637115a9cba38 [0,0,2,0,0,0|2,0,0]=4 208 B15R1.778 CCNC(=O)CNCCc1ccccc1 cb7c35038ce57ca36b293142db7d5604 [0,0,2,0,0,0|2,0,0]=4 209 B15R1.778 CCNC(=O)COCCc1ccccc1 108ee6b990264124cccb411155a41094 [0,0,2,0,0,0|2,0,0]=4 210 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 59a7db1b9b82f719c23d1b7f857d42b5 [0,0,1,0,1,0|2,0,0]=4 211 B15R3.1736 c1ccc2c(c1)CCC2N3CCC3 731367ad8df6aa7bffd7237652bfb851 [0,0,0,0,2,0|2,0,0]=4 212 B17R2.2383 c1ccc(cc1)CCCCNc2ncc[nH]2 48adced660a83f84a0ac89872f53e878 [0,0,1,0,0,1|0,0,2]=4 213 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 18c2a699fdf6cafd53e0e04aa1d179ee [0,0,1,0,0,1|0,0,2]=4 214 B17R2.2383 c1ccc(cc1)CCCNCc2ncn[nH]2 0844521d82298d9ae8fea87b6ef944b9 [0,0,1,0,0,1|1,0,1]=4 215 B17R2.2383 c1ccc(cc1)CCCNCc2nnn[nH]2 20e86108e80b1a805c5d42dabaf683a3 [0,0,1,0,0,1|2,0,0]=4 216 B17R2.2383 c1ccc(cc1)CCCOCc2ncc[nH]2 b2485c0a79f7a11f916067b5f175a581 [0,0,1,0,0,1|0,0,2]=4 217 B17R2.2383 c1ccc(cc1)CCNCCc2ncc[nH]2 1e875e2bea83ab374745b758cc8d276b [0,0,1,0,0,1|0,0,2]=4 218 B17R2.2383 c1ccc(cc1)CCNCCc2nnn[nH]2 c94d10b3c9e2ea0a86bfd7547fc7e819 [0,0,1,0,0,1|2,0,0]=4 219 B17R2.2383 c1ccc(cc1)CCOCCc2ncc[nH]2 af8dae67b54b6e9b5985f5ac0032e48c [0,0,1,0,0,1|0,0,2]=4 220 B17R2.2383 c1ccc(cc1)CNCCCc2ncc[nH]2 69dbff87fef932eff2b8a0768e396192 [0,0,1,0,0,1|0,0,2]=4 221 B17R2.4343 CCCc1ccccc1NCC2=CCCC2 ce1a55bd91d84e9a8cc4fdecd65621ee [0,0,1,0,0,1|2,0,0]=4 222 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 75da79d3280d42ea9b4916bedb2ba0bc [0,0,1,0,0,1|0,0,2]=4 223 B17R2.4343 CCCc1ccccc1NCc2ncn[nH]2 00038819c2654c60ff19cf61ffdf05c3 [0,0,1,0,0,1|1,0,1]=4 224 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 da5350ba235685cbb490032dfdb9ecaf [0,0,1,0,0,1|2,0,0]=4 225 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 f9b90ee02c55c6541a0ae8e94397e969 [0,0,1,0,0,1|0,0,2]=4 226 B19R3.4444 C1=C(CCC1)CNC2CCCc3c2cccc3 7c863c1ad96889db8b11d2b31cab21c9 [0,0,0,0,0,2|2,0,0]=4 227 B19R3.4444 C1=C(CCC1)CN[C@@H]2CCCc3c2cccc3 dc9d4c56a1c3d31ab5ce25d3199fd57c [0,0,0,0,0,2|2,0,0]=4 228 B19R3.4444 C1=C(CCC1)CN[C@H]2CCCc3c2cccc3 fb62ced9bbf8579d3d0091138bd2da59 [0,0,0,0,0,2|2,0,0]=4 229 B19R3.4444 C1=C(CCC1)COC2CCCc3c2cccc3 4c1d097f3c8da8fbd21775fd4146dc7c [0,0,0,0,0,2|2,0,0]=4 230 B19R3.4444 C1=C(CCC1)CO[C@@H]2CCCc3c2cccc3 b4e594cbf81b14379424d3a9ef33a125 [0,0,0,0,0,2|2,0,0]=4 231 B19R3.4444 C1=C(CCC1)CO[C@H]2CCCc3c2cccc3 9f859b1469aaea181c57badb502735b8 [0,0,0,0,0,2|2,0,0]=4 232 B19R3.4444 c1ccc2c(c1)CCCC2NCc3ncc[nH]3 8f1d70d6f02273f0bc7022cb5c8ea54e [0,0,0,0,0,2|0,0,2]=4 233 B19R3.4444 c1ccc2c(c1)CCCC2NCc3nnn[nH]3 619111bd5df291b4ad3209a194e7644c [0,0,0,0,0,2|2,0,0]=4 234 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncc[nH]3 ffe130e6c7232b0331370749f5be6044 [0,0,0,0,0,2|0,0,2]=4 235 B19R3.4444 c1ccc2c(c1)CCCC2OCc3nnn[nH]3 12914f90a739f2e21a18c86b9858edf6 [0,0,0,0,0,2|2,0,0]=4 236 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncc[nH]3 183f71e63c50392eaeb2b59330016ed6 [0,0,0,0,0,2|0,0,2]=4 237 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3nnn[nH]3 815c82dc16e1099c0ed84d6c07f04aa6 [0,0,0,0,0,2|2,0,0]=4 238 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2OCc3ncc[nH]3 213fc19bfea8c61ca015830a3e9237d1 [0,0,0,0,0,2|0,0,2]=4 239 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2OCc3nnn[nH]3 b766420cf05d796b8fb8f2a4bac2c667 [0,0,0,0,0,2|2,0,0]=4 240 B19R3.4444 c1ccc2c(c1)CCC[C@H]2NCc3ncc[nH]3 e5b8866573a9033339853ffa282a5e96 [0,0,0,0,0,2|0,0,2]=4 241 B19R3.4444 c1ccc2c(c1)CCC[C@H]2NCc3nnn[nH]3 ff27cab99b3c86b131992488b3e14e00 [0,0,0,0,0,2|2,0,0]=4 242 B19R3.4444 c1ccc2c(c1)CCC[C@H]2OCc3ncc[nH]3 cd41211772b7c0f0a2d2e3f775c6712b [0,0,0,0,0,2|0,0,2]=4 243 B19R3.4444 c1ccc2c(c1)CCC[C@H]2OCc3nnn[nH]3 978acf0faa9693c384f7c9d4c3e87a15 [0,0,0,0,0,2|2,0,0]=4