0 B12R1.385 Oc1ccc(cc1O)NCCS 7c234555db54f8ebc439b461eae0e3dd [1,0,0,0,0,0|3,0,0]=4 1 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)O 3c5b0eeb4baf549e14d6d7126a01f3f1 [0,1,0,0,0,0|1,0,2]=4 2 B14R1.941 CCNCC(O)c1ccc(c(c1)Cl)Cl ebe83251a91dde2c1fee1513efa866a7 [0,1,0,0,0,0|2,0,0]=3 3 B14R1.941 N#CNCC(O)c1ccc(c(c1)F)F cfcedc12aaf70f5138b6f39a5d0f1352 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.941 N#CNC[C@@H](O)c1ccc(c(c1)F)F 0de61c091c99fe1fbc4221bb541dcc8e [0,1,0,0,0,0|2,0,1]=4 5 B14R1.941 N#CNC[C@H](O)c1ccc(c(c1)F)F 651d6bc01a5c9b46e13ce99a577df97f [0,1,0,0,0,0|2,0,1]=4 6 B14R1.941 O=CNCC(=O)c1ccc(c(c1)O)O 109bd812dd1a663af27c8ea978c959be [0,1,0,0,0,0|0,0,3]=4 7 B14R1.941 O=CNCC(O)c1ccc(c(c1)Cl)Cl dd7f821c9c1024103ec888616448f6aa [0,1,0,0,0,0|2,0,1]=4 8 B14R1.941 OC(CNCF)c1ccc(c(c1)Cl)Cl 6863ff97472e209e8d4b0a908ea4f0ce [0,1,0,0,0,0|2,0,0]=3 9 B14R1.941 OCNCC(O)c1ccc(c(c1)Cl)Cl 5d398cb888257801114f30cb6f792252 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.17 CCNCC(O)c1ccc(cc1)Br c5078f73f9236806de13372fb4090799 [1,1,0,0,0,0|1,0,0]=3 11 B13R1.17 CCNCC(O)c1ccc(cc1)C b3b55aee14fd11e98aaf485cbc3b8f36 [1,1,0,0,0,0|1,0,0]=3 12 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2b0339c50e5a60c0760ef52598579d32 [1,1,0,0,0,0|1,0,0]=3 13 B13R1.17 CCNCC(O)c1ccc(cc1)F b1b03683730dbf1ed29315cf11677ed9 [1,1,0,0,0,0|1,0,0]=3 14 B13R1.17 Cc1ccc(cc1)C(O)CNC=O e77bb51640ca9ec1d955957208d468e1 [1,1,0,0,0,0|1,0,1]=4 15 B13R1.17 Cc1ccc(cc1)C(O)CNCF 75fb7b6d42e7b5119b44ab3d72cf8615 [1,1,0,0,0,0|1,0,0]=3 16 B13R1.17 Cc1ccc(cc1)C(O)CNCO cf590a5099baa89ac32034e7eee388b6 [1,1,0,0,0,0|1,0,0]=3 17 B13R1.17 N#CNCC(O)c1ccc(cc1)Br a0c2aad41d523e0d39f6006f9b28475d [1,1,0,0,0,0|1,0,1]=4 18 B13R1.17 N#CNCC(O)c1ccc(cc1)Cl 90130fcf8038d0b52be8ca2d4ea1264c [1,1,0,0,0,0|1,0,1]=4 19 B13R1.17 N#CNC[C@@H](O)c1ccc(cc1)Br 1636f74eaf448b3cde2169b6c4ffe4fa [1,1,0,0,0,0|1,0,1]=4 20 B13R1.17 N#CNC[C@@H](O)c1ccc(cc1)F 812496d2cb512b10e4920b3e62f33e73 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)Br e310f299e9579b24824d0538c25e29e5 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)Cl ead51c58d82588fe9d5d6a1bd164b86f [1,1,0,0,0,0|1,0,1]=4 23 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)F eab032224e1347c25112ac747b217286 [1,1,0,0,0,0|1,0,1]=4 24 B13R1.17 O=CNCC(O)c1ccc(cc1)Br 8b4eb31423d8c372cc0a7ea356afb8ab [1,1,0,0,0,0|1,0,1]=4 25 B13R1.17 O=CNCC(O)c1ccc(cc1)Cl 89c3017c29584bd18417ab48f15c3fe7 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.17 O=CNCC(O)c1ccc(cc1)F 1ba27819624b5dddcadfc585faabf7d8 [1,1,0,0,0,0|1,0,1]=4 27 B13R1.17 O=CNCC(O)c1ccc(cc1)O 729af03853ba75a4e641ad743a94cfec [1,1,0,0,0,0|0,0,1]=3 28 B13R1.17 OC(CNCF)c1ccc(cc1)Br eb051726503cb26124abeca0594093e8 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.17 OC(CNCF)c1ccc(cc1)Cl b49a7d5f7eee31031d14bce2ead7cfbd [1,1,0,0,0,0|1,0,0]=3 30 B13R1.17 OC(CNCF)c1ccc(cc1)F ffd95071bc85b98ae81337d081ed2df4 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.17 OCNCC(O)c1ccc(cc1)Br e82a54244a79f66a94a293d77242f227 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.17 OCNCC(O)c1ccc(cc1)Cl 414025964bae317bb5d546bb886918a4 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.17 OCNCC(O)c1ccc(cc1)F 02f8868b732fd18f1ece83fe3223540d [1,1,0,0,0,0|1,0,0]=3 34 B13R1.18 CCNCC(O)c1cccc(c1)Cl 686d5049c6ad29cd3d6884ac43d05d7a [1,1,0,0,0,0|1,0,0]=3 35 B13R1.18 N#CNC[C@H](O)c1cccc(c1)Cl 4a42b1f2df24d8b992608171a08325cf [1,1,0,0,0,0|1,0,1]=4 36 B13R1.18 O=CNCC(O)c1cccc(c1)Cl b4b500f89700e438e4417f85cf8f3ff8 [1,1,0,0,0,0|1,0,1]=4 37 B13R1.18 OC(CNCF)c1cccc(c1)Cl a46e9ea8a898fab8befb699b5ef836b7 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.18 OCNCC(O)c1cccc(c1)Cl a090d28bbf48cd99bcaf5d2afa82b97f [1,1,0,0,0,0|1,0,0]=3 39 B13R1.669 C=CCCNc1ccc(c(c1)O)O f818c0835db3a6260fb19c60478fbe8a [1,1,0,0,0,0|1,0,1]=4 40 B13R1.669 CC=CCNc1ccc(c(c1)O)O f97ef8e597a1ece663f2428bcbf184d8 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.669 CCCCNc1ccc(c(c1)O)C e47c1e4276a332a45cfc6c47b74e0fbb [1,1,0,0,0,0|2,0,0]=4 42 B13R1.669 CCCCNc1ccc(c(c1)O)F f76e05977b0cd4e6e39729c39dea86b2 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.669 CCCCNc1ccc(c(c1)O)O deb8d7711339243195fd273015acd44b [1,1,0,0,0,0|1,0,0]=3 44 B13R1.669 CCNCCc1ccc(c(c1)C)Br c3363ceb852cf1bf416e7f25db5945b1 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.669 CCNCCc1ccc(c(c1)C)C 0c03e593303143e1a43af5e886017b0d [1,1,0,0,0,0|2,0,0]=4 46 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl e70724ecd505b049612e8fcd4398e873 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 754bd52d552483ddcf492629c0337bb8 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.669 CCNCCc1ccc(c(c1)F)Cl 536dd901f96aba03b1ba87e9cd490fa8 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.669 CCNCCc1ccc(c(c1)F)F b11ff4f56221cadc729e3f028696c2ce [1,1,0,0,0,0|2,0,0]=4 50 B13R1.669 COCCNc1ccc(c(c1)C)O 660119a83280745a946d4249cf91bbc9 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.669 COCCNc1ccc(c(c1)O)C 069ea473a8d60408b536abf9c7ef2ed6 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.669 COCCNc1ccc(c(c1)O)F d7cbe2719e4c8fa87f64470e828d22e6 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.669 COCCNc1ccc(c(c1)O)O 2c8ada1317379c4554ac3e8a63dfe705 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.669 COCCNc1cnc(c(c1)O)O 7630c6d7b7d4ef9226f88475c46f2f0c [1,1,0,0,0,0|2,0,0]=4 55 B13R1.669 CSCCNc1ccc(c(c1)O)O eb9dfe7f781d273929fb8995d40fbec6 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.669 Cc1cc(ccc1Br)CCNCF 0cd40b4a8540fb08a0432a53cecaa1e7 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.669 Cc1cc(ccc1Br)CCNCO eed43c947e8638b666bee13c7139b8fa [1,1,0,0,0,0|2,0,0]=4 58 B13R1.669 Cc1ccc(cc1C)CCNCF dc240a23ef4400d95bbc15765bec3e43 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.669 Cc1ccc(cc1C)CCNCO 463361606facc6fd05f02f527a3e88dc [1,1,0,0,0,0|2,0,0]=4 60 B13R1.669 FCNCCc1ccc(c(c1)Cl)Cl 1d76f7443350aed8960cfa1dae29ab05 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.669 FCNCCc1ccc(c(c1)Cl)F c3194e9c728007b9c3d1e0b9eb46b5c7 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.669 FCNCCc1ccc(c(c1)F)Cl e2ad16b681bf2d82c27371868e34d52a [1,1,0,0,0,0|2,0,0]=4 63 B13R1.669 FCNCCc1ccc(c(c1)F)F b8a35c78c8b3e1ea0af3fdda9fb92ca2 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.669 NOCCNc1ccc(c(c1)O)O 17ce2937aaea1b001b3e3f33148e7078 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.669 O=CNCCc1ccc(c(c1)O)O 39b39c5c9b42ff8f6db7e6c1514f22c0 [1,1,0,0,0,0|0,0,1]=3 66 B13R1.669 OCCCNc1ccc(c(c1)O)O 4eaa8ebbd6d02fc8d9b1694feaafabe8 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.669 OCNCCc1ccc(c(c1)Cl)Cl 241814ba1be64b1dee27dd2a01873677 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.669 OCNCCc1ccc(c(c1)Cl)F 8552648c7b79307cffe929397ee1a5a5 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.669 OCNCCc1ccc(c(c1)F)Cl 9e123c843499fab87ccfdad987e4f948 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.669 OCNCCc1ccc(c(c1)F)F 92a631cf8682667ec34b0282d789e66b [1,1,0,0,0,0|2,0,0]=4 71 B13R1.669 Oc1ccc(cc1O)NCCCCl 8121cbfa20d32af75e2f67599a846f49 [1,1,0,0,0,0|2,0,0]=4 72 B15R1.34564 CSCC(C)(C)Nc1ccc(c(c1)O)O d1f09917207a918d9f39196557e9df0e [0,1,0,0,0,1|2,0,0]=4 73 B15R1.889 CC(=O)NCC(=O)c1ccc(c(c1)O)O d605200e278ccd83d252e99baa149e6b [0,2,0,0,0,0|0,0,2]=4 74 B15R1.889 CC(=O)NCC(O)c1ccc(c(c1)Cl)Cl cd7b2c4d8b89b4559eea0d401faaba50 [0,2,0,0,0,0|2,0,0]=4 75 B15R1.1404 C#CCNCC(O)c1ccc(c(c1)Cl)Cl ab6792d94b1958eff33a955d05d100cc [0,2,0,0,0,0|2,0,0]=4 76 B15R1.1404 C=CCNCC(O)c1ccc(c(c1)Cl)Cl 20f46af0133574cf0f9d332a7f2f12ef [0,2,0,0,0,0|2,0,0]=4 77 B15R1.1404 CCCNCC(O)c1ccc(c(c1)Cl)Cl 3263855613da2d524cb176a865f85e39 [0,2,0,0,0,0|2,0,0]=4 78 B15R1.1404 COCNCC(O)c1ccc(c(c1)Cl)Cl e0967a71d33478bcc7647ed2bae5fcc2 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.1404 CSCNCC(O)c1ccc(c(c1)Cl)Cl 195d460bfcbfc8a29999ed7609568532 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.1404 N#CCNCC(O)c1ccc(c(c1)Cl)Cl c94f6822180242d2ce9101b3f18378e9 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.1404 O=CCNCC(O)c1ccc(c(c1)Cl)Cl ad73a439fb57247afafef4ac958e4eaa [0,2,0,0,0,0|2,0,0]=4 82 B15R1.1404 OC(CNCCBr)c1ccc(c(c1)F)F 166715e1f69b3289f6921f4caa3bfefe [0,2,0,0,0,0|2,0,0]=4 83 B15R1.1404 OC(CNCCF)c1ccc(c(c1)Cl)Cl 12e6f252d75e423edd50405006f20b05 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.1404 OC(CNCCF)c1ccc(c(c1)F)F 01adb64dea249e3e1b7f2fa0661a026b [0,2,0,0,0,0|2,0,0]=4 85 B15R1.1404 OC(CNCCS)c1ccc(c(c1)Cl)Cl cb8ecd4e4b293e254b8bf9f44ac9d4d7 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.1404 OCCNCC(O)c1ccc(c(c1)Cl)Cl 886717201cfe5d4a7526bac670db5df4 [0,2,0,0,0,0|2,0,0]=4 87 B15R1.1404 O[C@@H](CNCCBr)c1ccc(c(c1)F)F f0c06c49bdf8780d95cec631f2e6a256 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.1404 O[C@@H](CNCCF)c1ccc(c(c1)F)F f10800f3f69e4cfa1c85d5f320e1367b [0,2,0,0,0,0|2,0,0]=4 89 B15R1.1404 O[C@H](CNCCBr)c1ccc(c(c1)F)F 1585045f6cc6e3ba41f9164197d414f4 [0,2,0,0,0,0|2,0,0]=4 90 B15R1.1404 O[C@H](CNCCF)c1ccc(c(c1)F)F 8d00b46283f26e381ba012e4459339da [0,2,0,0,0,0|2,0,0]=4 91 B15R1.5924 OC(CNCF)c1cc(c(c(c1)F)F)F e520795aa10e94f5d89cd7f770716167 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.1526 C[C@@H](Nc1ccc(c(c1)O)O)C2CC2 57a9c932cfe14eb2b78eb7cd55fc1f37 [0,0,0,1,0,1|2,0,0]=4 93 B15R2.1526 C[C@H](Nc1ccc(c(c1)O)O)C2CC2 98b4042f029c03d3800dde8668426922 [0,0,0,1,0,1|2,0,0]=4 94 B15R1.10390 C=CCC(O)CNc1ccc(c(c1)O)O 8f1026d92a329edd22dadecfa28aee22 [0,0,0,0,0,2|1,0,1]=4