0 B18R2.158462 CCNCC1(CCN(CC1)C)c2ccccc2 150493d440b107de4556c12e5fc73d1d [1,0,0,0,0,0|1,0,1]=3 1 B18R2.158462 CCOCC1(CCC(=O)CC1)c2ccccc2 09d8f99a08d3c959050d773501f8b8c7 [1,0,0,0,0,0|2,0,1]=4 2 B18R2.158462 CN1CCC(CC1)(CNCF)c2ccccc2 7b319cd0d90b3ee55b8f3c035f2212af [1,0,0,0,0,0|2,0,1]=4 3 B18R2.158462 CN1CCC(CC1)(CNCO)c2ccccc2 78a1e04fa955fa3a816a3129a52d2fd5 [1,0,0,0,0,0|2,0,1]=4 4 B18R1.28841 C=C(CC)CNC(C(=O)OCC)c1ccccc1 bd0143510cde027129c9b16399d68381 [0,0,1,0,0,0|2,0,1]=4 5 B18R1.28841 CCNC(=O)C(NCC(C)CC)c1ccccc1 579071c5682e951496a8a6221d0b8373 [0,0,1,0,0,0|3,0,0]=4 6 B18R1.28841 CCNC(=O)C(NC[C@@H](C)CC)c1ccccc1 c41707a99eebea561a103a2e57afe456 [0,0,1,0,0,0|3,0,0]=4 7 B18R1.28841 CCNC(=O)C(NC[C@H](C)CC)c1ccccc1 1921ce54b5468ab75f2606fcbba83805 [0,0,1,0,0,0|3,0,0]=4 8 B18R1.28841 CCOC(=O)C(NCC(=O)CC)c1ccccc1 506eba100745740c88251d7758ae7b37 [0,0,1,0,0,0|3,0,0]=4 9 B18R1.28841 CCOC(=O)C(NCC(C)CC)c1ccccc1 25d51f1513cd8c289b8d9a25f9b2cbf5 [0,0,1,0,0,0|2,0,0]=3 10 B18R1.28841 CCOC(=O)C(NCC(C)CC)c1ccccn1 04a65c37fb8862f5f0a81bd6abe51800 [0,0,1,0,0,0|3,0,0]=4 11 B18R1.28841 CCOC(=O)C(NCC(C)CO)c1ccccc1 70638f420183b295bd507096025bcfbe [0,0,1,0,0,0|3,0,0]=4 12 B18R1.28841 CCOC(=O)C(NCC(C)OC)c1ccccc1 44ec03d86ea2e2fba56ec49864418503 [0,0,1,0,0,0|3,0,0]=4 13 B18R1.28841 CCOC(=O)C(NCC(O)CC)c1ccccc1 5a0be58f0c91489e277dbefaa00c7bda [0,0,1,0,0,0|3,0,0]=4 14 B18R1.28841 CCOC(=O)C(NC[C@@H](C)CC)c1ccccc1 f579a5119529b3b990fc078ea68ff764 [0,0,1,0,0,0|2,0,0]=3 15 B18R1.28841 CCOC(=O)C(NC[C@@H](C)CC)c1ccccn1 a7ba1154feacac1020c26eb8816432f4 [0,0,1,0,0,0|3,0,0]=4 16 B18R1.28841 CCOC(=O)C(NC[C@@H](C)CO)c1ccccc1 0b6438a37b51e4bb4567f128694fada1 [0,0,1,0,0,0|3,0,0]=4 17 B18R1.28841 CCOC(=O)C(NC[C@@H](C)OC)c1ccccc1 1eef09f086cf1ab7df6864174e209407 [0,0,1,0,0,0|3,0,0]=4 18 B18R1.28841 CCOC(=O)C(NC[C@H](C)CC)c1ccccc1 682a6c6a64f007c5cec5f6617a749a03 [0,0,1,0,0,0|2,0,0]=3 19 B18R1.28841 CCOC(=O)C(NC[C@H](C)CC)c1ccccn1 4a2e31e75d2f6de2c27684a51dead28b [0,0,1,0,0,0|3,0,0]=4 20 B18R1.28841 CCOC(=O)C(NC[C@H](C)CO)c1ccccc1 e19937ef68f2b3ec0aafccf4cae6152f [0,0,1,0,0,0|3,0,0]=4 21 B18R1.28841 CCOC(=O)C(NC[C@H](C)OC)c1ccccc1 83f99c1716209fd5f42061020e36e98f [0,0,1,0,0,0|3,0,0]=4 22 B18R1.28841 CCOC(=O)C(NC[C@H](O)CC)c1ccccc1 a35c1876667d86f91c524a6bd89814cb [0,0,1,0,0,0|3,0,0]=4 23 B18R1.28841 CCOC(=O)C(OCC(=O)CC)c1ccccc1 14d36702cf66d20aca32e444b7d009d4 [0,0,1,0,0,0|3,0,0]=4 24 B18R1.28841 CCOC(=O)C(OCC(C)CC)c1ccccc1 fdf31a51e48b3e38faf68a0109f3a8bf [0,0,1,0,0,0|2,0,0]=3 25 B18R1.28841 CCOC(=O)C(OCC(C)CC)c1ccccn1 b36be703ac8671d097a08b3c63155b61 [0,0,1,0,0,0|3,0,0]=4 26 B18R1.28841 CCOC(=O)C(OCC(C)OC)c1ccccc1 388a8e0805068156a678ad28a00944bd [0,0,1,0,0,0|3,0,0]=4 27 B18R1.28841 CCOC(=O)C(OC[C@@H](C)CC)c1ccccc1 8ec9c9aceaa4d6ee942bdddeac592413 [0,0,1,0,0,0|2,0,0]=3 28 B18R1.28841 CCOC(=O)C(OC[C@@H](C)CC)c1ccccn1 48c9d525512a80275fc0528d27b709c3 [0,0,1,0,0,0|3,0,0]=4 29 B18R1.28841 CCOC(=O)C(OC[C@@H](C)OC)c1ccccc1 4eaf2c634590cf0e0f55c1ed58436f9a [0,0,1,0,0,0|3,0,0]=4 30 B18R1.28841 CCOC(=O)C(OC[C@H](C)CC)c1ccccn1 40c0bb36a0d3bd559ae730537b31c627 [0,0,1,0,0,0|3,0,0]=4 31 B18R1.28841 CCOC(=O)C(OC[C@H](C)OC)c1ccccc1 8db44b71baeab289f5297c0b4da2948f [0,0,1,0,0,0|3,0,0]=4 32 B18R1.28841 CCOC(=O)[C@@H](OCC(=O)CC)c1ccccc1 f1a56e9f827f943ab0a5da4d3d52ad0a [0,0,1,0,0,0|3,0,0]=4 33 B18R1.28841 CCOC(=O)[C@@H](OCC(C)CC)c1ccccc1 ab43f6ed014d7b7cd28871902d29896a [0,0,1,0,0,0|2,0,0]=3 34 B18R1.28841 CCOC(=O)[C@@H](OCC(C)OC)c1ccccc1 29126145c2ebcb797a12b3960cb7a859 [0,0,1,0,0,0|3,0,0]=4 35 B18R1.28841 CCOC(=O)[C@@H](OC[C@@H](C)CC)c1ccccc1 7a89bae284e4cc0ca5ca808ff81c986a [0,0,1,0,0,0|2,0,0]=3 36 B18R1.28841 CCOC(=O)[C@@H](OC[C@@H](C)OC)c1ccccc1 6bd7d0a775e6675f2dabc12b7dd6f1e6 [0,0,1,0,0,0|3,0,0]=4 37 B18R1.28841 CCOC(=O)[C@@H](OC[C@H](C)OC)c1ccccc1 ba6dd19b98c38844d1078c97f8525204 [0,0,1,0,0,0|3,0,0]=4 38 B18R1.28841 CCOC(=O)[C@H](OCC(=O)CC)c1ccccc1 8ed0eb6bd5a90926253fc7c40dabd94d [0,0,1,0,0,0|3,0,0]=4 39 B18R1.28841 CCOC(=O)[C@H](OCC(C)CC)c1ccccc1 5a86f2e2146ac2d63a07d03a3ef60e04 [0,0,1,0,0,0|2,0,0]=3 40 B18R1.28841 CCOC(=O)[C@H](OCC(C)OC)c1ccccc1 94b84bad4669b2ec231e6e5ab1cebbeb [0,0,1,0,0,0|3,0,0]=4 41 B18R1.28841 CCOC(=O)[C@H](OC[C@@H](C)CC)c1ccccc1 d28ef0fab78004c81cbc4f8f7d120840 [0,0,1,0,0,0|2,0,0]=3 42 B18R1.28841 CCOC(=O)[C@H](OC[C@@H](C)OC)c1ccccc1 4f4a76e810c9c8a77d183524dc1b9246 [0,0,1,0,0,0|3,0,0]=4 43 B18R1.28841 CCOC(=O)[C@H](OC[C@H](C)OC)c1ccccc1 815dfe65726b5e247dffcf65bd38134a [0,0,1,0,0,0|3,0,0]=4 44 B18R1.220395 C=C(C)COC(C)(C(=O)OCC)c1ccccc1 e8f81935247aed7ea72fb132a9ac7b54 [0,0,1,0,0,0|2,0,1]=4 45 B18R1.220395 CCOC(=O)C(C)(OCC(C)C)c1ccccc1 099163f7e87c36a43a2aa18f36ad4b28 [0,0,1,0,0,0|2,0,0]=3 46 B18R1.220395 CCOC(=O)C(C)(OCN(C)C)c1ccccc1 081fd1deb1c43369c4c0925c46a8ebce [0,0,1,0,0,0|1,0,0]=2 47 B17R1.4005 CCCCNC(C(=O)OCC)c1ccccc1 0c0b3832a5cfc7978d0d972088bc913f [1,0,1,0,0,0|2,0,0]=4 48 B17R1.4005 CCCCOC(C(=O)OCC)c1ccccc1 8358bf7bc6589cceb40e5016243e8b9b [1,0,1,0,0,0|2,0,0]=4 49 B17R1.4005 CCCCO[C@@H](C(=O)OCC)c1ccccc1 5837bcb4bbf97ac14851cfcb6deb087d [1,0,1,0,0,0|2,0,0]=4 50 B17R1.4005 CCCCO[C@H](C(=O)OCC)c1ccccc1 37424f4ab2df22d2d093b67c22f01d74 [1,0,1,0,0,0|2,0,0]=4 51 B17R1.4005 CCOCNC(C(=O)OCC)c1ccccc1 c2142992f72f6765b462a1f02b3385fb [1,0,1,0,0,0|2,0,0]=4 52 B17R1.4005 CCOCOC(C(=O)OCC)c1ccccc1 866ed125f79b9f2d1ae828c9edaa3c31 [1,0,1,0,0,0|2,0,0]=4 53 B17R1.4005 CCOCO[C@@H](C(=O)OCC)c1ccccc1 7bef9923cfc42e83d103d1512dbc9725 [1,0,1,0,0,0|2,0,0]=4 54 B17R1.4005 CCOCO[C@H](C(=O)OCC)c1ccccc1 499d7050470713c52545deedd1519f32 [1,0,1,0,0,0|2,0,0]=4 55 B17R1.18482 CCCC(=O)N(CCN(C)C)c1ccccc1 3af9c1476eeac863e953e4412d374b5e [1,0,1,0,0,0|2,0,0]=4 56 B17R1.18482 CCNC(=O)C(NCN(C)C)c1ccccc1 e569733750469480daed71652625b9fd [1,0,1,0,0,0|2,0,0]=4 57 B17R1.18482 CCOC(=O)C(NCC(C)C)c1ccccc1 eb0e8f5f31632e86419305c8124c2f95 [1,0,1,0,0,0|2,0,0]=4 58 B17R1.18482 CCOC(=O)C(NCN(C)C)c1ccccc1 d46c82319cbc02ebfa05bdb399b862e9 [1,0,1,0,0,0|1,0,0]=3 59 B17R1.18482 CCOC(=O)C(NCN(C)C)c1ccccn1 994cbc45f5570d9401e9f5fafdc0acd3 [1,0,1,0,0,0|2,0,0]=4 60 B17R1.18482 CCOC(=O)C(OCC(C)C)c1ccccc1 69815228468fada027cd10146643f56c [1,0,1,0,0,0|2,0,0]=4 61 B17R1.18482 CCOC(=O)[C@@H](OCC(C)C)c1ccccc1 253699ac8050de7afb2495311d062496 [1,0,1,0,0,0|2,0,0]=4 62 B17R1.18482 CCOC(=O)[C@H](OCC(C)C)c1ccccc1 87c145ac02c7f4d6df89ed2fd4dfaaeb [1,0,1,0,0,0|2,0,0]=4 63 B17R1.26834 CCC(C)CNC(C(=O)OC)c1ccccc1 92bb06ce4a94c6c7cdaef70868ed9633 [1,0,1,0,0,0|2,0,0]=4 64 B17R1.26834 CCC(C)CN[C@H](C(=O)OC)c1ccccc1 7af4443be5aa647a24c7a71a4788ff1f [1,0,1,0,0,0|2,0,0]=4 65 B17R1.26834 CCC(C)COC(C(=O)OC)c1ccccc1 748cb0d64b907e6f43350031381904e7 [1,0,1,0,0,0|2,0,0]=4 66 B17R1.26834 CCC(C)CO[C@@H](C(=O)OC)c1ccccc1 b2da0ab93232811da829311b88f70dc6 [1,0,1,0,0,0|2,0,0]=4 67 B17R1.26834 CCC(C)CO[C@H](C(=O)OC)c1ccccc1 2e54fe8f0d729ccaacaf248f751fedd3 [1,0,1,0,0,0|2,0,0]=4 68 B17R1.26834 CCC(C)OCC(C(=O)OC)c1ccccc1 3beba0032160b38c09aeb6b96216fcbe [1,0,1,0,0,0|2,0,0]=4 69 B17R1.26834 CC[C@@H](C)CNC(C(=O)OC)c1ccccc1 5b5a39a3a9dbf2b8c20f2154bae1ae98 [1,0,1,0,0,0|2,0,0]=4 70 B17R1.26834 CC[C@@H](C)CN[C@H](C(=O)OC)c1ccccc1 0635c0d48cd5be727e0d92f179c66aa5 [1,0,1,0,0,0|2,0,0]=4 71 B17R1.26834 CC[C@H](C)CNC(C(=O)OC)c1ccccc1 750c3098be2c40c08571ce3a15c469d1 [1,0,1,0,0,0|2,0,0]=4 72 B17R1.26834 CC[C@H](C)CN[C@H](C(=O)OC)c1ccccc1 f2d6825367ff0db5f1b641120e93a44f [1,0,1,0,0,0|2,0,0]=4 73 B17R1.26834 CC[C@H](C)COC(C(=O)OC)c1ccccc1 ee875c47837d0c1808b2abf0fb48f255 [1,0,1,0,0,0|2,0,0]=4 74 B17R1.26834 CC[C@H](C)CO[C@@H](C(=O)OC)c1ccccc1 56c4d3742c0e00465dff912615637ec8 [1,0,1,0,0,0|2,0,0]=4 75 B17R1.26834 CC[C@H](C)CO[C@H](C(=O)OC)c1ccccc1 da938dde1b68e954db441b5a38fd24be [1,0,1,0,0,0|2,0,0]=4 76 B17R1.25783 CCCOC(C)(C(=O)OCC)c1ccccc1 ff65614f850fb7bcd102d748939e937c [1,0,1,0,0,0|2,0,0]=4 77 B17R1.25783 CCOC(=O)C(C)(OCSC)c1ccccc1 9abe7d1ab84189a26016c895542a5104 [1,0,1,0,0,0|2,0,0]=4 78 B17R1.140373 COC(=O)C(C)(NCC(C)C)c1ccccc1 8cc1debc1a1fd4850eb6d56bae75b450 [1,0,1,0,0,0|2,0,0]=4 79 B17R1.140373 COC(=O)C(C)(OCC(C)C)c1ccccc1 ea1b0eb70306dd98d21f508b4424f7fd [1,0,1,0,0,0|2,0,0]=4 80 B17R1.140373 COC(=O)C(C)(OCN(C)C)c1ccccc1 0cea21c60c7ec3036ed1f43a4b46026f [1,0,1,0,0,0|1,0,0]=3 81 B17R1.140373 COC(=O)C(C)(OCN(C)C)c1ccncc1 2e0485862d9b63101d5ba54fb250fd9e [1,0,1,0,0,0|2,0,0]=4 82 B17R2.59819 CCOCC1(CCCCC1)c2ccccc2 6643ef9243cabd05da4f4bef5b08c36f [2,0,0,0,0,0|1,0,1]=4 83 B19R1.37871 CCOC(=O)C(COC(C)CC)c1ccc(cc1)Br e23d5999dd519fff3c7c27c58737577b [0,1,1,0,0,0|2,0,0]=4 84 B19R1.37871 CCOC(=O)C(NCC(C)CC)c1ccc(cc1)Cl 698797f3d1093d6f486587efb2bb1ba9 [0,1,1,0,0,0|2,0,0]=4 85 B19R1.37871 CCOC(=O)C(NCC(C)CC)c1ccc(cc1)F ed8e93b910c53c7cd443cc602579799c [0,1,1,0,0,0|2,0,0]=4 86 B19R1.37871 CCOC(=O)C(NC[C@@H](C)CC)c1ccc(cc1)Cl 386f5f5827fc7ca1492702f092438fe1 [0,1,1,0,0,0|2,0,0]=4 87 B19R1.37871 CCOC(=O)C(NC[C@@H](C)CC)c1ccc(cc1)F 8c372033bfaf79066722ddcef7b1714e [0,1,1,0,0,0|2,0,0]=4 88 B19R1.37871 CCOC(=O)C(OCC(C)CC)c1ccc(cc1)Br 692c14122f9aa58039c91821546330e1 [0,1,1,0,0,0|2,0,0]=4 89 B19R1.37871 CCOC(=O)C(OCC(C)CC)c1ccc(cc1)Cl f84c41defd2994e260d82c1e64fa47ca [0,1,1,0,0,0|2,0,0]=4 90 B19R1.37871 CCOC(=O)C(OCC(C)CC)c1ccc(cc1)F 91e48e45cefded07c669f8bd33c0b275 [0,1,1,0,0,0|2,0,0]=4 91 B19R1.37871 CCOC(=O)C(OC[C@@H](C)CC)c1ccc(cc1)Br 1c2f9d89ab68519e4531e473ed369f4b [0,1,1,0,0,0|2,0,0]=4 92 B19R1.37871 CCOC(=O)C(OC[C@@H](C)CC)c1ccc(cc1)Cl b5b23ea989ad20ae9e9f9809a1352cda [0,1,1,0,0,0|2,0,0]=4 93 B19R1.37871 CCOC(=O)C(OC[C@@H](C)CC)c1ccc(cc1)F 2922c155b36a7e34b4eec915bcb5bc20 [0,1,1,0,0,0|2,0,0]=4 94 B19R1.37871 CCOC(=O)C(OC[C@H](C)CC)c1ccc(cc1)Br 1b46b945571676a039759019c7cb9b45 [0,1,1,0,0,0|2,0,0]=4 95 B19R1.37871 CCOC(=O)C(OC[C@H](C)CC)c1ccc(cc1)F dddf97c5220e8e6d7dc523d0f82695d1 [0,1,1,0,0,0|2,0,0]=4 96 B19R1.37872 CCOC(=O)C(NCC(C)CC)c1cccc(c1)C 80bff38a42219db0edc0113c9c2eba57 [0,1,1,0,0,0|2,0,0]=4 97 B19R1.37872 CCOC(=O)C(NCC(C)CC)c1cccc(c1)Cl 2cf0f5e786c9ea91e758c7ea3abd38b2 [0,1,1,0,0,0|2,0,0]=4 98 B19R1.37872 CCOC(=O)C(NC[C@@H](C)CC)c1cccc(c1)C 7e8d22be7d8ad1d8411e668ce1192f12 [0,1,1,0,0,0|2,0,0]=4 99 B19R1.37872 CCOC(=O)C(NC[C@@H](C)CC)c1cccc(c1)Cl 5231a8bf84ba69b4077ed5a7bbc88258 [0,1,1,0,0,0|2,0,0]=4 100 B19R1.37872 CCOC(=O)C(OCC(C)CC)c1cccc(c1)Br d162fa9468c7cf3016e43174cede413a [0,1,1,0,0,0|2,0,0]=4 101 B19R1.37872 CCOC(=O)C(OCC(C)CC)c1cccc(c1)C bab923e2492b7d608ee90e0e05f046ed [0,1,1,0,0,0|2,0,0]=4 102 B19R1.37872 CCOC(=O)C(OCC(C)CC)c1cccc(c1)Cl 241918b298b001ed178fff396a68fd9d [0,1,1,0,0,0|2,0,0]=4 103 B19R1.37872 CCOC(=O)C(OC[C@@H](C)CC)c1cccc(c1)Br 122c855928c25ef4027e15920eca01ad [0,1,1,0,0,0|2,0,0]=4 104 B19R1.37872 CCOC(=O)C(OC[C@@H](C)CC)c1cccc(c1)C 099d0aa1a77c78c0af66e7353846ac86 [0,1,1,0,0,0|2,0,0]=4 105 B19R1.37872 CCOC(=O)C(OC[C@@H](C)CC)c1cccc(c1)Cl 4e3dec15b20028771f1a5b0cc1137a99 [0,1,1,0,0,0|2,0,0]=4 106 B19R1.37872 CCOC(=O)C(OC[C@H](C)CC)c1cccc(c1)Br f43e980d42d5b31f83e2b4f8fe2597b3 [0,1,1,0,0,0|2,0,0]=4 107 B19R1.37872 CCOC(=O)C(OC[C@H](C)CC)c1cccc(c1)C 3aa1a27b8eecac1bd5e5285af8e09a51 [0,1,1,0,0,0|2,0,0]=4 108 B19R1.37872 CCOC(=O)C(OC[C@H](C)CC)c1cccc(c1)Cl ce59d735d42264109311cd583e3af842 [0,1,1,0,0,0|2,0,0]=4 109 B19R1.37875 CCOC(=O)C(NCC(C)C(C)C)c1ccccc1 7e87dad692103f3e62ad3db595baefe4 [0,1,1,0,0,0|2,0,0]=4 110 B19R1.50806 CCC(C)COC(C(=O)OC(C)C)c1ccccc1 ba0548c62491aefb441abc10033aef60 [0,1,1,0,0,0|2,0,0]=4 111 B19R1.50806 CC[C@@H](C)COC(C(=O)OC(C)C)c1ccccc1 dfeb02e99e033da22992d34028eeffdc [0,1,1,0,0,0|2,0,0]=4 112 B19R1.50806 CC[C@H](C)COC(C(=O)OC(C)C)c1ccccc1 dd7d29d12ac0ba83fc2e8860558c8ce4 [0,1,1,0,0,0|2,0,0]=4 113 B19R1.58573 CCCC(C)CNC(C(=O)OCC)c1ccccc1 7d66c798701b043cf808080cce5406b3 [0,1,1,0,0,0|2,0,0]=4 114 B19R1.58573 CCOC(=O)C(NCC(C)CCO)c1ccccc1 787fce2d18ba5d9735461d193d714632 [0,1,1,0,0,0|2,0,0]=4 115 B19R1.58573 CCOC(=O)C(NCC(C)OCC)c1ccccc1 1271373c6e493cfbd8f5caea04f0bade [0,1,1,0,0,0|2,0,0]=4 116 B19R1.90741 CCOC(=O)C(NCC(C)(O)CC)c1ccccc1 0aaeb5bafd08a0374e5ce7dcdbbe5a6a [0,1,1,0,0,0|2,0,0]=4 117 B19R1.350853 CCOC(=O)C(NCC(CC)CC)c1ccccc1 7daffa77d2c6d74e640acb2a704385ff [0,1,1,0,0,0|2,0,0]=4 118 B19R1.350853 CCOC(=O)C(NCC(CC)CO)c1ccccc1 6aed4d44058740ac79f111eeb5aa883b [0,1,1,0,0,0|2,0,0]=4 119 B19R1.350853 CCOC(=O)C(OCC(CC)CC)c1ccccc1 1773c3f70f495d8450a3bb5a516267c0 [0,1,1,0,0,0|2,0,0]=4 120 B19R1.350853 CCOC(=O)C(OCN(CC)CC)c1ccccn1 63257b2e53486b50cedb8e1c0a1d2ec6 [0,1,1,0,0,0|2,0,0]=4 121 B19R1.350853 CCOC(=O)[C@@H](OCC(CC)CC)c1ccccc1 2066821ccdea36fad9e89662ba6ea087 [0,1,1,0,0,0|2,0,0]=4 122 B19R1.350853 CCOC(=O)[C@H](OCC(CC)CC)c1ccccc1 1ca1a6cca36f0b9ab7f28fb17a97fd94 [0,1,1,0,0,0|2,0,0]=4 123 B19R1.352433 CCOC(=O)C(OCC(C)CC)c1ccccc1C b9443be18c2ef58f778e2dd4ab6a66a0 [0,1,1,0,0,0|2,0,0]=4 124 B19R1.352433 CCOC(=O)C(OC[C@@H](C)CC)c1ccccc1C 13621e9f136120f678e902f770c34ddc [0,1,1,0,0,0|2,0,0]=4 125 B19R1.352433 CCOC(=O)C(OC[C@H](C)CC)c1ccccc1C caea1f107ce4c7b29e2df703cf5553e0 [0,1,1,0,0,0|2,0,0]=4 126 B19R1.353918 CCOC(=O)C(NC(=O)N(C)CC)c1ccccc1 93eb88cd5a213e837d0c164c7c5038e7 [0,1,1,0,0,0|1,0,1]=4 127 B19R1.353918 CCOC(=O)C(NC(=S)N(C)CC)c1ccccc1 2a7c7ec3cdbc9297189657662a7cdc1a [0,1,1,0,0,0|1,0,1]=4 128 B19R1.353918 CCOC(=O)C(NC(C)C(C)CC)c1ccccc1 ebee425357ebfbc38b20a60015b76c13 [0,1,1,0,0,0|2,0,0]=4 129 B19R1.362267 CCOC(=O)C(C)(OCC(C)CC)c1ccccc1 20be3115f20348348b033bc3334d3ac6 [0,1,1,0,0,0|2,0,0]=4 130 B19R1.362267 CCOC(=O)C(C)(OC[C@@H](C)CC)c1ccccc1 7d66b434f76d0975f89ab8ed9710133e [0,1,1,0,0,0|2,0,0]=4 131 B19R1.362267 CCOC(=O)C(C)(OC[C@H](C)CC)c1ccccc1 42737c92572a6167b04802f08128c7a6 [0,1,1,0,0,0|2,0,0]=4 132 B19R1.361803 CCOC(=O)C(C)(OCC(C)C)c1ccc(cc1)F 96c2d70685933911636ab60d79bb542e [0,1,1,0,0,0|2,0,0]=4 133 B19R1.361803 CCOC(=O)C(C)(OCN(C)C)c1ccc(cc1)F 5c5c32ab8c6c4136e3c145f8af869e5c [0,1,1,0,0,0|1,0,0]=3 134 B19R1.361804 CCOC(=O)C(C)(OCC(C)C)c1cccc(c1)C 8a371bbb2edad8868f6fea42768817fc [0,1,1,0,0,0|2,0,0]=4 135 B19R1.361804 CCOC(=O)C(C)(OCC(C)C)c1cccc(c1)F 7e5cb94fad617cc0254b9a4bbf12ce29 [0,1,1,0,0,0|2,0,0]=4 136 B19R1.361804 CCOC(=O)C(C)(OCN(C)C)c1cccc(c1)C c403b4744a4576d5ab0c417517ee819f [0,1,1,0,0,0|1,0,0]=3 137 B19R1.361804 CCOC(=O)C(C)(OCN(C)C)c1cccc(c1)F c82972938fdff16629607b3c541b54c9 [0,1,1,0,0,0|1,0,0]=3 138 B19R1.361945 CCOC(=O)C(C)(OCC(C)(C)C)c1ccccc1 fd18643b117edb23ab2b35f7160b6c70 [0,1,1,0,0,0|2,0,0]=4 139 B19R1.361945 CCOC(=O)C(C)(OCC(C)(C)F)c1ccccc1 654ad1cee24ac81d0e923c4c10681d71 [0,1,1,0,0,0|2,0,0]=4 140 B19R1.361945 CCOC(=O)C(C)(OCC(C)(C)O)c1ccccc1 9ce450d7e657884879bc90e1450ef48d [0,1,1,0,0,0|2,0,0]=4 141 B19R1.362730 CCOC(=O)C(C)(OC(C)C(C)C)c1ccccc1 79d5f97977f1e323195f23c773259664 [0,1,1,0,0,0|2,0,0]=4 142 B19R1.1577800 CCOC(=O)C(C)(OCC(C)C)c1ccccc1F 9ef011a14f2af139058557ba304aee8e [0,1,1,0,0,0|2,0,0]=4 143 B19R1.1577800 CCOC(=O)C(C)(OCN(C)C)c1ccccc1F 76d0813a2e4b54c54bb2f344f092734f [0,1,1,0,0,0|1,0,0]=3 144 B19R2.149915 CC(C)NCC1(CCN(CC1)C)c2ccccc2 1a5ab2ffbef0254a205dcaebf272f264 [1,1,0,0,0,0|1,0,1]=4 145 B19R2.1041973 CCCNCC1(CCN(CC1)C)c2ccccc2 6f7e49baecf2ad4b2bb4f66675617bba [1,1,0,0,0,0|1,0,1]=4 146 B19R2.1041973 CN1CCC(CC1)(CNCCO)c2ccccc2 8960c21c71cae4fd9c9bbaa80455412d [1,1,0,0,0,0|1,0,1]=4 147 B19R2.1041973 CN1CCC(CC1)(CNCCS)c2ccccc2 6e345ed0ef49dfeaaada97976713938f [1,1,0,0,0,0|1,0,1]=4 148 B19R2.1041973 COCNCC1(CCN(CC1)C)c2ccccc2 9ed5971425e72f6a01af61e2e09b8453 [1,1,0,0,0,0|1,0,1]=4 149 B19R2.1041973 CSCNCC1(CCN(CC1)C)c2ccccc2 cf1b52c262bbbdf029981c5cb9dbc734 [1,1,0,0,0,0|1,0,1]=4 150 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2ccccc2 36219f676b8af1ce5fa4424af99a14ce [0,1,0,0,0,1|0,0,0]=2 151 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2ccccn2 9b3c0c6dd6f036e6b49542fd1901d807 [0,1,0,0,0,1|1,0,0]=3 152 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2cccnc2 e815d225608096d639e1dfa82cc5305e [0,1,0,0,0,1|1,0,0]=3 153 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2cccnn2 cbefb0748e4a43730496c4bf4c8f629b [0,1,0,0,0,1|2,0,0]=4 154 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2ccncn2 401a4c644de68dea3c9ec3994d278667 [0,1,0,0,0,1|2,0,0]=4 155 B21R2.5260482 CCOC(=O)C1(CCN(CC1)CC)Nc2cnccn2 a79345301ee26f31e847ce379fdcf15d [0,1,0,0,0,1|2,0,0]=4 156 B19R2.9814 CCOC(=O)C(c1ccccc1)N2CCC(C2)C 86ea5859562732f936d4ef46a0360241 [0,0,1,1,0,0|2,0,0]=4 157 B19R2.9814 CCOC(=O)C(c1ccccn1)N2CCN(C2)C 6eee05b097b2734838af9b23562dab41 [0,0,1,1,0,0|2,0,0]=4 158 B19R2.129344 CCOC(=O)C(NCC1CCC1)c2ccccc2 c4dd77689b6d462407d201684430f664 [0,0,1,1,0,0|2,0,0]=4 159 B19R2.129344 CCOC(=O)C(OCC1CCC1)c2ccccc2 fbadb7a9dd1833e2a6643f6a67e558b9 [0,0,1,1,0,0|2,0,0]=4 160 B19R2.129344 CCOC(=O)[C@@H](OCC1CCC1)c2ccccc2 927bbf8fade95135d9e36fa3a50d8f2f [0,0,1,1,0,0|2,0,0]=4 161 B19R2.129344 CCOC(=O)[C@H](OCC1CCC1)c2ccccc2 c6031e0503b81cf7c6c44f0f49dee648 [0,0,1,1,0,0|2,0,0]=4 162 B19R2.272292 CCOC(=O)C(NCC1(CC1)C)c2ccccc2 24a3cd2c22a988c3cf36c9720e236b64 [0,0,1,1,0,0|2,0,0]=4 163 B19R2.1140653 CCOC(=O)C(N[C@@H]1CC[C@H]1C)c2ccccc2 18457d85f6ef086db00a42eda3f7fe2a [0,0,1,1,0,0|2,0,0]=4 164 B19R2.1140653 CCOC(=O)C(N[C@H]1CC[C@H]1C)c2ccccc2 8c43fc8bf59fa067831594947892b669 [0,0,1,1,0,0|2,0,0]=4 165 B19R2.1373690 CCCN[C@]1(CCc2c1cccc2)C(=O)OCC 9f9c47f5a5a8a35bd64c65ab3922f4f3 [0,0,1,1,0,0|2,0,0]=4 166 B19R2.1373690 CCOC(=O)[C@@]1(CCc2c1cccc2)NCOC a4be0b8b53fe8b66b29f4476f29025eb [0,0,1,1,0,0|2,0,0]=4 167 B19R2.1373690 CCOC(=O)[C@@]1(CCc2c1cccc2)NCSC 539d2a2e79a5a6b835d3d901a4524701 [0,0,1,1,0,0|2,0,0]=4 168 B19R2.1162746 CCOC(=O)C(C)(OCC1CC1)c2ccccc2 c92742e596ac2429f73a9fcab72152af [0,0,1,1,0,0|2,0,0]=4 169 B17R1.21138 CCOC(=O)C(NC(C)CC)c1ccccc1 8b2a83c2f709eca119ea35cd3994736d [0,0,1,0,1,0|2,0,0]=4 170 B17R1.21138 CCOC(=O)C(N[C@@H](C)CC)c1ccccc1 70f9a8bdf72da2c5adb2cf21df7c534d [0,0,1,0,1,0|2,0,0]=4 171 B17R1.21138 CCOC(=O)C(N[C@H](C)CC)c1ccccc1 f4703f56b3488f6cdbf18ff5ade831c1 [0,0,1,0,1,0|2,0,0]=4 172 B17R1.21138 CCOC(=O)C(OC(C)CC)c1ccccc1 407fd322c6e958592cfa2bcbe6d5d9b0 [0,0,1,0,1,0|2,0,0]=4 173 B17R1.21138 CCOC(=O)[C@@H](OC(C)CC)c1ccccc1 0955032c6ec443bff3d02cf47b934a16 [0,0,1,0,1,0|2,0,0]=4 174 B17R1.21138 CCOC(=O)[C@H](OC(C)CC)c1ccccc1 a4da36492cec9aa2b5e07746713be059 [0,0,1,0,1,0|2,0,0]=4 175 B17R1.21709 CCOC(=O)C(C)(OC(C)C)c1ccccc1 897a92a6e83d2b1883ae81451540288d [0,0,1,0,1,0|2,0,0]=4 176 B19R1.57190 CCOC(=O)CC(NCC(C)CC)c1ccccc1 bf3a7df862452124a6793281f9b980e5 [0,0,1,0,0,1|2,0,0]=4 177 B19R1.57190 CCOC(=O)CC(NC[C@@H](C)CC)c1ccccc1 02a5bcab3af3b1935394dd26b13e3085 [0,0,1,0,0,1|2,0,0]=4 178 B19R1.57190 CCOC(=O)CC(OCC(C)CC)c1ccccc1 168fe1403bdd1378f5f36bc83e075301 [0,0,1,0,0,1|2,0,0]=4 179 B19R1.57190 CCOC(=O)CC(OC[C@@H](C)CC)c1ccccc1 f6e93036f4c81f2bfbfe12bbf60a04f1 [0,0,1,0,0,1|2,0,0]=4 180 B19R1.57190 CCOC(=O)C[C@H](OCC(C)CC)c1ccccc1 a442e8c350d1169d36bd8ef2930cedce [0,0,1,0,0,1|2,0,0]=4 181 B19R1.57190 CCOC(=O)C[C@H](OC[C@@H](C)CC)c1ccccc1 79d0ed0e0fb552897ddf8c8edb53811c [0,0,1,0,0,1|2,0,0]=4 182 B19R1.350850 CCNC(=O)C(NCCC(C)CC)c1ccccc1 2e68057ddf7a4a4c1a8ecd95a4b78230 [0,0,1,0,0,1|2,0,0]=4 183 B19R1.350850 CCOC(=O)C(NCCC(C)CC)c1ccccc1 17336ea548ad13d8acce8658843be6a4 [0,0,1,0,0,1|1,0,0]=3 184 B19R1.350850 CCOC(=O)C(NCCC(C)CC)c1ccccn1 f621cb43f281cf6f211b6caaa986e7a2 [0,0,1,0,0,1|2,0,0]=4 185 B19R1.350850 CCOC(=O)C(NCCC(C)CO)c1ccccc1 6d2b7ab016685a11a581bbb107d221fd [0,0,1,0,0,1|2,0,0]=4 186 B19R1.350850 CCOC(=O)C(NCCS(=O)CC)c1ccccc1 035bdb336ee961281a7da9338a2a6863 [0,0,1,0,0,1|2,0,0]=4 187 B19R1.350850 CCOC(=O)C(NCC[C@@H](C)CO)c1ccccc1 3aacce0b428caec10ac38a7eba27761b [0,0,1,0,0,1|2,0,0]=4 188 B19R1.350850 CCOC(=O)C(OCCC(C)CC)c1ccccn1 f123a951db2fc417e04ac9ee0995955b [0,0,1,0,0,1|2,0,0]=4 189 B19R1.350850 CCOC(=O)C(OCC[C@@H](C)CC)c1ccccn1 e41300ac7239a400b0d592f702997685 [0,0,1,0,0,1|2,0,0]=4 190 B19R1.350931 CCOC(=O)C(COC(C)CC)Cc1ccccc1 24defac9f283549ecdae7d8b41805b33 [0,0,1,0,0,1|2,0,0]=4 191 B19R1.350931 CCOC(=O)C(Cc1ccccc1)OCC(C)CC d952147c488910a8207c04f5fa412d25 [0,0,1,0,0,1|2,0,0]=4 192 B19R1.350931 CCOC(=O)C(Cc1ccccc1)OC[C@@H](C)CC f1bcd928e5ec2e2895cdb3e0012b7a11 [0,0,1,0,0,1|2,0,0]=4 193 B19R1.350931 CCOC(=O)C(Cc1ccccc1)OC[C@H](C)CC 9d380e508cf1d19add0b83e380f1a7e6 [0,0,1,0,0,1|2,0,0]=4 194 B19R1.350931 CCOC(=O)[C@H](Cc1ccccc1)NCC(C)CC ace14bea4836b14fd47b00d0df393674 [0,0,1,0,0,1|2,0,0]=4 195 B19R1.350931 CCOC(=O)[C@H](Cc1ccccc1)NC[C@@H](C)CC 78c06509ff31e926569def084e7bb8f4 [0,0,1,0,0,1|2,0,0]=4 196 B19R1.350931 CCOC(=O)[C@H](Cc1ccccc1)NC[C@H](C)CC 0ec15a532b11e15652e8eff27fae6aa9 [0,0,1,0,0,1|2,0,0]=4 197 B19R1.650410 CCCCC(CC)(Nc1ccccc1)C(=O)OCC 22913eca5423663c8bd51d20ea261db6 [0,0,1,0,0,1|1,0,0]=3 198 B19R1.650410 CCCCC(CC)(Nc1ccccn1)C(=O)OCC a172298e832aff3d8ff6ac8b5027e595 [0,0,1,0,0,1|2,0,0]=4 199 B19R1.650410 CCCCC(CC)(Nc1cccnc1)C(=O)OCC 8f2ed5bca4e96b93f9ce791043351a19 [0,0,1,0,0,1|2,0,0]=4 200 B19R1.650410 CCCCC(CC)(Nc1ccncc1)C(=O)OCC 0b02f8616fc0ec58ae34cf1678a0bcf5 [0,0,1,0,0,1|2,0,0]=4 201 B19R1.361942 CCOC(=O)C(C)(OCC=C(C)C)c1ccccc1 ed6f5139c33d7de189d970e1f6d3122d [0,0,1,0,0,1|1,0,1]=4 202 B19R1.361942 CCOC(=O)C(C)(OCCC(C)C)c1ccccc1 d3b1902f6c1c22eb40bec1a3e1d69111 [0,0,1,0,0,1|1,0,0]=3 203 B19R1.361942 CCOC(=O)C(C)(OCCN(C)C)c1ccccc1 ea75e6e32bc1b6cf9c3a8829ed6cc31d [0,0,1,0,0,1|0,0,0]=2 204 B19R1.361942 CCOC(=O)C(C)(OCCS(=O)C)c1ccccc1 5bf24e2da74103880e7ff4173288c84f [0,0,1,0,0,1|2,0,0]=4 205 B19R1.518197 CCOC(=O)CC(C)(OCC(C)C)c1ccccc1 a894dec59b54dce6795662a8636123c8 [0,0,1,0,0,1|2,0,0]=4 206 B19R1.518197 CCOC(=O)CC(C)(OCN(C)C)c1ccccc1 613ec9262928858cc24e66aa54d6f5c7 [0,0,1,0,0,1|1,0,0]=3 207 B19R2.132941 CCOC(=O)C1(CCCCC1)Nc2cccnc2 dd4065462e1fce03fd5ebf87480b4ba9 [1,0,0,0,0,1|2,0,0]=4 208 B19R2.132941 CCOC(=O)C1(CCOCC1)Nc2cccnc2 1aa9f619ca07891107913726e2e16d4c [1,0,0,0,0,1|2,0,0]=4 209 B19R2.1295973 COC(=O)C1(CCC(=O)CC1)Nc2ccccc2 0d9d8b3e826fa5f05d00e6848d09a2e4 [1,0,0,0,0,1|2,0,0]=4 210 B19R2.1295973 COC(=O)C1(CCC(CC1)C)Nc2ccccc2 f0eff96395208ff31fd572698dae620e [1,0,0,0,0,1|1,0,0]=3 211 B19R2.1295973 COC(=O)C1(CCC(CC1)C)Nc2cccnc2 dfee5a44248fe7f74ce2c78fe84b3ffb [1,0,0,0,0,1|2,0,0]=4 212 B19R2.1295973 COC(=O)C1(CCC(CC1)C)Nc2ccncc2 00554df6ae2b59e2de97405f093d733f [1,0,0,0,0,1|2,0,0]=4 213 B21R2.5260479 CCOC(=O)C1(CCC(=O)CC1)CNc2ccccc2 db4f0b16eb29962482453f8b3d43dd17 [0,0,0,0,0,2|2,0,0]=4 214 B21R2.5284241 C/C=C/C(=O)NCC1(CCN(CC1)C)c2ccccc2 cf9e1781b2cb26bdd2bbcad8ed00c282 [0,0,0,0,0,2|1,0,1]=4 215 B21R2.5284241 CC#CC(=O)NCC1(CCN(CC1)C)c2ccccc2 8f55a4604fb2e65a32d2fdeae3b26011 [0,0,0,0,0,2|1,0,1]=4 216 B21R2.5284241 CCCC(=O)NCC1(CCN(CC1)C)c2ccccc2 8c759dfb145c4584edac3bdd7ed5b5a1 [0,0,0,0,0,2|1,0,0]=3 217 B21R2.5284241 CN1CCC(CC1)(CNC(=O)CCF)c2ccccc2 a319e555eb9ab61cc65eaf7f85c066e4 [0,0,0,0,0,2|2,0,0]=4 218 B21R2.5284241 CN1CCC(CC1)(CNC(=O)CCO)c2ccccc2 99eeae3c3ea40c8eda3c3ca7437ccd69 [0,0,0,0,0,2|2,0,0]=4 219 B21R2.5284241 CN1CCC(CC1)(CNC(=O)CCS)c2ccccc2 f2a802e11c37cebc7b9dd3e8c7e5a872 [0,0,0,0,0,2|2,0,0]=4 220 B21R2.5284241 COCC(=O)NCC1(CCN(CC1)C)c2ccccc2 0dfde08dbed9e2c6b955ce9d32cb36f0 [0,0,0,0,0,2|2,0,0]=4 221 B21R2.5284241 CSCC(=O)NCC1(CCN(CC1)C)c2ccccc2 ded13bc41fdc3a7a7d90206d4610f434 [0,0,0,0,0,2|2,0,0]=4