0 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2)Br ac784de6d2abec26e93aade6b1757173 [1,0,0,0,0,0|2,1,0]=4 1 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2)Cl 4c632ff20eb1de7f5c55d1b651f30b0b [1,0,0,0,0,0|2,0,0]=3 2 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2)F 325e774cc6f57aaff7c20c9ec1d59131 [1,0,0,0,0,0|2,1,0]=4 3 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2)I f5454b5a4eecd6707fbd535e64e265e0 [1,0,0,0,0,0|2,1,0]=4 4 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cn2)Cl 8ad9ba850b309254fc7bd0ce29fbbd74 [1,0,0,0,0,0|3,0,0]=4 5 B21R2.358778 CC(C)(C)C(Cn1ccnc1)NCc2ccc(nc2)Cl d89f9a01a09f60cef7b40f97f697b27e [1,0,0,0,0,0|3,0,0]=4 6 B21R2.358778 Cc1ccc(cc1)CNC(Cn2ccnc2)C(C)(C)C c353602f38f9ba6f916f9f28782c41a2 [1,0,0,0,0,0|3,0,0]=4 7 B20R2.2282842 CC(C)(C)C(Cn1ccnc1)NCc2ccccc2 9ce193e743e360428a4de671e68343bc [2,0,0,0,0,0|2,0,0]=4 8 B22R2.519036 CC(NC(Cn1ccnc1)C(C)(C)C)c2ccc(cc2)Cl a198e590e17a294544cbac1261640bae [1,1,0,0,0,0|2,0,0]=4 9 B22R2.523328 CC(C)(C)C(Cn1ccnc1)NCc2ccc(c(c2)Br)Cl 4451de9fc09139ce6fc79a1420d7881c [1,1,0,0,0,0|2,0,0]=4 10 B22R2.523328 CC(C)(C)C(Cn1ccnc1)NCc2ccc(c(c2)Cl)Cl a6621f0f87f570762c0c681982397c5b [1,1,0,0,0,0|2,0,0]=4 11 B22R2.523328 CC(C)(C)C(Cn1ccnc1)NCc2ccc(c(c2)F)Cl e3843a0eedd70c4855d98aba7ea11534 [1,1,0,0,0,0|2,0,0]=4 12 B22R2.523328 CC(C)(C)C(Cn1ccnc1)NCc2ccc(c(c2)I)Cl 02842883a657463ab5936496be06836e [1,1,0,0,0,0|2,0,0]=4 13 B22R2.523328 Cc1cc(ccc1Cl)CNC(Cn2ccnc2)C(C)(C)C 7a6b8fa78d7f22aa7740055e80ed5666 [1,1,0,0,0,0|2,0,0]=4 14 B22R2.4079349 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2Br)Cl 437da6fbccae30a9787b9c7555ebaa45 [1,1,0,0,0,0|2,0,0]=4 15 B22R2.4079349 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2Cl)Cl 1d3bb1a961edc0424526bd8400e2e9fd [1,1,0,0,0,0|2,0,0]=4 16 B22R2.4079349 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2F)Cl eaac70a04428325295c733a7641ba34e [1,1,0,0,0,0|2,0,0]=4 17 B22R2.4079349 CC(C)(C)C(Cn1ccnc1)NCc2ccc(cc2I)Cl b2fb93b9854a6ac8ca87b9ee35356c58 [1,1,0,0,0,0|2,0,0]=4 18 B22R2.4079349 Cc1cc(ccc1CNC(Cn2ccnc2)C(C)(C)C)Cl 3bac5799f3016b95b43e5875dd00233f [1,1,0,0,0,0|2,0,0]=4 19 B20R2.235857 CC(C)(C)N(Cc1ccc(cc1)F)Cn2cncn2 2105a396a5e21fb28f346ac66ead771a [1,0,0,0,1,0|1,1,0]=4 20 B20R2.235857 Cc1ccc(cc1)CN(Cn2cncn2)C(C)(C)C 50fa529c8fac4cc1b61e22e2ddfb2778 [1,0,0,0,1,0|2,0,0]=4 21 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2)Br 33e2e1ad277264238d08be7b99edec5f [1,0,0,0,0,1|1,1,0]=4 22 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2)Cl 76511fe64f3c8e2d5feb75c517105e5e [1,0,0,0,0,1|1,0,0]=3 23 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2)F 137f43fefd34e8d16a0eaf89822c43f2 [1,0,0,0,0,1|1,1,0]=4 24 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2)I bbb75221cb697b4f99c050c50cbbd8a7 [1,0,0,0,0,1|1,1,0]=4 25 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(nc2)Cl 4d0a9a3f55e9ab70a11bee42acaeb4f9 [1,0,0,0,0,1|2,0,0]=4 26 B22R2.519513 CC(C)(C)C(Cn1ccnc1)NCSc2ccc(cc2)Cl e4c2fa65fed6d3e6ad8f2a5aa24201d0 [1,0,0,0,0,1|2,0,0]=4 27 B22R2.519513 Cc1ccc(cc1)CCNC(Cn2ccnc2)C(C)(C)C 3620d9e909503a9f0491ff4b679ebd31 [1,0,0,0,0,1|2,0,0]=4 28 B22R2.8293823 CC(C)(C)NC(CCc1ccc(cc1)Cl)Cn2ccnc2 09593e28b7bc53c1a67136c9c60c055d [1,0,0,0,0,1|1,0,0]=3 29 B23R2.718402 CC(C)(C)C(Cn1ccnc1)NCC(O)c2ccc(cc2)Cl d72a4fda3fc17bf23e9998a74f8dc012 [1,1,0,0,0,1|1,0,0]=4 30 B23R2.718402 CC(C)(C)C(Cn1ccnc1)NC[C@@H](O)c2ccc(cc2)Cl 6ae10e72f83ebc1b9fb200cbfc4213bf [1,1,0,0,0,1|1,0,0]=4 31 B23R2.718402 CC(C)(C)C(Cn1ccnc1)NC[C@H](O)c2ccc(cc2)Cl 1f6a2e93e26a4fa9b21ba74a48d84c70 [1,1,0,0,0,1|1,0,0]=4 32 B23R2.720852 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(c(c2)Cl)Cl 58b0feb33bac79cd6e08d74441ef0a07 [1,1,0,0,0,1|1,0,0]=4 33 B23R2.5166256 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2Br)Cl 1ed694f0196870e03fa33fea2e0ad30e [1,1,0,0,0,1|1,0,0]=4 34 B23R2.5166256 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2Cl)Cl f1ba528e1794c60e2602c487025ff823 [1,1,0,0,0,1|1,0,0]=4 35 B23R2.5166256 CC(C)(C)C(Cn1ccnc1)NCCc2ccc(cc2F)Cl 7a7d480259345e65be6cc1cd2572c4d2 [1,1,0,0,0,1|1,0,0]=4 36 B23R2.718272 CC(C)(C)N(CCn1cncn1)C[C@@H](O)c2ccc(cc2)Cl 791217b601c4a966995eed9e42f50924 [1,1,0,0,0,1|1,0,0]=4 37 B23R2.368473 CC(C)(CF)NC(CCc1ccc(cc1)Cl)Cn2ccnc2 d47f42a4784d5b24be3d99bece99e343 [1,1,0,0,0,1|1,0,0]=4 38 B23R2.368473 CC(C)(CO)NC(CCc1ccc(cc1)Cl)Cn2ccnc2 c7dfdbc07190eb8995894a50e0553764 [1,1,0,0,0,1|1,0,0]=4 39 B23R2.11780977 CN(C(CCc1ccc(cc1)Cl)Cn2ccnc2)C(C)(C)C 0a6bce2f075201ffcf804025409458f2 [1,1,0,0,0,1|1,0,0]=4 40 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCC#N)Cn2cncn2 c24f7d89f0b800d387107465c7da9ae5 [0,3,0,0,0,0|1,0,0]=4 41 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCCBr)Cn2cncn2 f16e86a61943140d7fd432c358920afe [0,3,0,0,0,0|0,1,0]=4 42 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCCF)Cn2cncn2 9719d3927e0050746f36191fa29c04f8 [0,3,0,0,0,0|0,1,0]=4 43 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCCI)Cn2cncn2 c299baf062cdb98c4703fe35eaa96d9d [0,3,0,0,0,0|0,1,0]=4 44 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCCO)Cn2cncn2 25b9534abc7160f0aff916afeb558182 [0,3,0,0,0,0|1,0,0]=4 45 B25R2.46854531 CC(C)(C)C(O)(CCc1ccc(cc1)NCCS)Cn2cncn2 1db70786aadbb0a14915e83f99425eb5 [0,3,0,0,0,0|1,0,0]=4 46 B25R2.46854531 CCCNc1ccc(cc1)CCC(O)(Cn2cncn2)C(C)(C)C 6a8f99c6d20cb98e16281c23b2468e76 [0,3,0,0,0,0|1,0,0]=4 47 B23R3.184490782 CC1(CC1)NC(CCc2ccc(cc2)Cl)Cn3ccnc3 8092126bf023988bf753f166644aa904 [1,0,0,1,0,1|1,0,0]=4 48 B23R3.184490783 CC1(CN1C(CCc2ccc(cc2)Cl)Cn3ccnc3)C ed391853c9ac7d04bd30d7ca19add9af [1,0,0,1,0,1|1,0,0]=4 49 B21R2.358779 CC(C)OC(CCc1ccc(cc1)Cl)Cn2ccnc2 e43a0bb554f43cc3edd813bf6c9caf97 [2,0,0,0,0,1|1,0,0]=4 50 B21R2.7977849 CC(C)(C)C(Cn1ccnc1)NCCc2ccccc2 cd7525a9bb57859abcd1ea8ce25bf7b8 [2,0,0,0,0,1|1,0,0]=4 51 B23R2.161726 CC(C)(C)C(Cn1ccnc1)NCCCc2ccc(cc2)Cl b889e72b91ec203d756299878cb0e55a [1,0,0,0,0,2|1,0,0]=4 52 B23R2.161726 CC(C)(C)C(Cn1ccnc1)NCCOc2ccc(cc2)Cl e7f7551025f930a680c2eca2abd48613 [1,0,0,0,0,2|1,0,0]=4 53 B23R2.161726 CC(C)(C)C(Cn1ccnc1)NCCSc2ccc(cc2)Cl 1f6db51179b4b10e9696160083655427 [1,0,0,0,0,2|1,0,0]=4 54 B23R2.11853257 CC(C)(C)CNC(CCc1ccc(cc1)Cl)Cn2ccnc2 7b178022143b405f73625c3bc7b5d617 [1,0,0,0,0,2|1,0,0]=4 55 B23R2.11853257 CC(C)(C)COC(CCc1ccc(cc1)Cl)Cn2ccnc2 df77ba0e5198a9e0f78e98c6d3e9eff6 [1,0,0,0,0,2|1,0,0]=4