0 B11R1.192 O=CNc1ccc(c(c1)O)O 2e82d382d9b1d088dc65918920e27b4a [1,0,0,0,0,0|2,0,1]=4 1 B13R1.2879 C=CC(C)Nc1ccc(c(c1)O)O 34c75df8cbd9fd190d787d905968adc4 [0,0,0,0,0,1|2,0,1]=4 2 B12R1.385 Oc1cc(ccc1F)NCCS 7789a86c65d9f48050c940bd193d5905 [1,1,0,0,0,0|2,0,0]=4 3 B12R1.385 Oc1ccc(cc1O)NCCS 7c234555db54f8ebc439b461eae0e3dd [1,1,0,0,0,0|1,0,0]=3 4 B14R1.967 NOCC(=O)Nc1ccc(c(c1)O)O f8dfcce66a4e1cefc5e1e0894116c2ad [0,1,0,0,0,1|0,0,2]=4 5 B14R1.4398 C=C[C@@H](CO)Nc1ccc(c(c1)O)O 61ad5ee7da4ef89bf69dac8478320d13 [0,1,0,0,0,1|1,0,1]=4 6 B14R1.5612 CC(C)(CO)Nc1ccc(c(c1)O)O d5380234097c547f61ef49575b641b8d [0,1,0,0,0,1|2,0,0]=4 7 B14R1.941 CCNCC(O)c1ccc(c(c1)Cl)Cl ebe83251a91dde2c1fee1513efa866a7 [0,2,0,0,0,0|2,0,0]=4 8 B14R1.941 N#CNCC(O)c1ccc(c(c1)F)F cfcedc12aaf70f5138b6f39a5d0f1352 [0,2,0,0,0,0|2,0,0]=4 9 B14R1.941 N#CNC[C@@H](O)c1ccc(c(c1)F)F 0de61c091c99fe1fbc4221bb541dcc8e [0,2,0,0,0,0|2,0,0]=4 10 B14R1.941 N#CNC[C@H](O)c1ccc(c(c1)F)F 651d6bc01a5c9b46e13ce99a577df97f [0,2,0,0,0,0|2,0,0]=4 11 B14R1.941 O=CNCC(=O)c1ccc(c(c1)O)O 109bd812dd1a663af27c8ea978c959be [0,2,0,0,0,0|0,0,2]=4 12 B14R1.941 O=CNCC(O)c1ccc(c(c1)Cl)Cl dd7f821c9c1024103ec888616448f6aa [0,2,0,0,0,0|2,0,0]=4 13 B14R1.941 OC(CNCF)c1ccc(c(c1)Cl)Cl 6863ff97472e209e8d4b0a908ea4f0ce [0,2,0,0,0,0|2,0,0]=4 14 B14R1.941 OCNCC(O)c1ccc(c(c1)Cl)Cl 5d398cb888257801114f30cb6f792252 [0,2,0,0,0,0|2,0,0]=4 15 B14R1.833 C=CC(O)CNc1ccc(c(c1)O)O f129f8c6951fb98bf721d408b871b32b [0,0,0,0,0,2|1,0,1]=4 16 B14R1.833 CCC(C)CNc1ccc(c(c1)O)O 784a1653353ce110d4355cdd9b7d8c54 [0,0,0,0,0,2|2,0,0]=4 17 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)O)O 24124f8bc26b3eabd9245d6ab78c032a [0,0,0,0,0,2|2,0,0]=4 18 B14R1.833 OCC(F)CNc1ccc(c(c1)O)O 44bf630970370829788086af5a3f3f9c [0,0,0,0,0,2|2,0,0]=4 19 B14R1.833 OC[C@@H](F)CNc1ccc(c(c1)O)O 06447edf4bd6299c97eef9279b7fcf08 [0,0,0,0,0,2|2,0,0]=4 20 B14R1.833 OC[C@H](F)CNc1ccc(c(c1)O)O 86547127ae02fd464a8aab50ae6600ad [0,0,0,0,0,2|2,0,0]=4 21 B14R1.833 Oc1ccc(cc1O)NCC(Br)CBr c62817a94896a0a5f2a5478b3f98f71f [0,0,0,0,0,2|2,0,0]=4 22 B11R1.24 Oc1cccc(c1)NCCS 90fb0bece5f4ef3440fd1c51e48f120a [2,1,0,0,0,0|1,0,0]=4 23 B13R1.354 CC(O)c1ccc(c(c1)NCO)F c8a08057c5e160e7de8d3892b8750956 [1,2,0,0,0,0|1,0,0]=4 24 B13R1.139 CCC(O)c1ccc(cc1)NCO c52a8ca3ccd23f838b146fba6790ed86 [1,2,0,0,0,0|1,0,0]=4 25 B13R1.17 CCNCC(O)c1ccc(cc1)Br c5078f73f9236806de13372fb4090799 [1,2,0,0,0,0|1,0,0]=4 26 B13R1.17 CCNCC(O)c1ccc(cc1)C b3b55aee14fd11e98aaf485cbc3b8f36 [1,2,0,0,0,0|1,0,0]=4 27 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2b0339c50e5a60c0760ef52598579d32 [1,2,0,0,0,0|1,0,0]=4 28 B13R1.17 CCNCC(O)c1ccc(cc1)F b1b03683730dbf1ed29315cf11677ed9 [1,2,0,0,0,0|1,0,0]=4 29 B13R1.17 Cc1ccc(cc1)C(O)CNC=O e77bb51640ca9ec1d955957208d468e1 [1,2,0,0,0,0|1,0,0]=4 30 B13R1.17 Cc1ccc(cc1)C(O)CNCF 75fb7b6d42e7b5119b44ab3d72cf8615 [1,2,0,0,0,0|1,0,0]=4 31 B13R1.17 Cc1ccc(cc1)C(O)CNCO cf590a5099baa89ac32034e7eee388b6 [1,2,0,0,0,0|1,0,0]=4 32 B13R1.17 N#CNCC(O)c1ccc(cc1)Br a0c2aad41d523e0d39f6006f9b28475d [1,2,0,0,0,0|1,0,0]=4 33 B13R1.17 N#CNCC(O)c1ccc(cc1)Cl 90130fcf8038d0b52be8ca2d4ea1264c [1,2,0,0,0,0|1,0,0]=4 34 B13R1.17 N#CNC[C@@H](O)c1ccc(cc1)Br 1636f74eaf448b3cde2169b6c4ffe4fa [1,2,0,0,0,0|1,0,0]=4 35 B13R1.17 N#CNC[C@@H](O)c1ccc(cc1)F 812496d2cb512b10e4920b3e62f33e73 [1,2,0,0,0,0|1,0,0]=4 36 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)Br e310f299e9579b24824d0538c25e29e5 [1,2,0,0,0,0|1,0,0]=4 37 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)Cl ead51c58d82588fe9d5d6a1bd164b86f [1,2,0,0,0,0|1,0,0]=4 38 B13R1.17 N#CNC[C@H](O)c1ccc(cc1)F eab032224e1347c25112ac747b217286 [1,2,0,0,0,0|1,0,0]=4 39 B13R1.17 O=CNCC(O)c1ccc(cc1)Br 8b4eb31423d8c372cc0a7ea356afb8ab [1,2,0,0,0,0|1,0,0]=4 40 B13R1.17 O=CNCC(O)c1ccc(cc1)Cl 89c3017c29584bd18417ab48f15c3fe7 [1,2,0,0,0,0|1,0,0]=4 41 B13R1.17 O=CNCC(O)c1ccc(cc1)F 1ba27819624b5dddcadfc585faabf7d8 [1,2,0,0,0,0|1,0,0]=4 42 B13R1.17 O=CNCC(O)c1ccc(cc1)O 729af03853ba75a4e641ad743a94cfec [1,2,0,0,0,0|0,0,0]=3 43 B13R1.17 OC(CNCF)c1ccc(cc1)Br eb051726503cb26124abeca0594093e8 [1,2,0,0,0,0|1,0,0]=4 44 B13R1.17 OC(CNCF)c1ccc(cc1)Cl b49a7d5f7eee31031d14bce2ead7cfbd [1,2,0,0,0,0|1,0,0]=4 45 B13R1.17 OC(CNCF)c1ccc(cc1)F ffd95071bc85b98ae81337d081ed2df4 [1,2,0,0,0,0|1,0,0]=4 46 B13R1.17 OCNCC(O)c1ccc(cc1)Br e82a54244a79f66a94a293d77242f227 [1,2,0,0,0,0|1,0,0]=4 47 B13R1.17 OCNCC(O)c1ccc(cc1)Cl 414025964bae317bb5d546bb886918a4 [1,2,0,0,0,0|1,0,0]=4 48 B13R1.17 OCNCC(O)c1ccc(cc1)F 02f8868b732fd18f1ece83fe3223540d [1,2,0,0,0,0|1,0,0]=4 49 B13R1.18 CCNCC(O)c1cccc(c1)Cl 686d5049c6ad29cd3d6884ac43d05d7a [1,2,0,0,0,0|1,0,0]=4 50 B13R1.18 N#CNC[C@H](O)c1cccc(c1)Cl 4a42b1f2df24d8b992608171a08325cf [1,2,0,0,0,0|1,0,0]=4 51 B13R1.18 O=CNCC(O)c1cccc(c1)Cl b4b500f89700e438e4417f85cf8f3ff8 [1,2,0,0,0,0|1,0,0]=4 52 B13R1.18 OC(CNCF)c1cccc(c1)Cl a46e9ea8a898fab8befb699b5ef836b7 [1,2,0,0,0,0|1,0,0]=4 53 B13R1.18 OCNCC(O)c1cccc(c1)Cl a090d28bbf48cd99bcaf5d2afa82b97f [1,2,0,0,0,0|1,0,0]=4 54 B13R1.374 OCNc1cccc(c1)C(O)CO d401508c9a62db983d7240bef14d49f2 [1,2,0,0,0,0|1,0,0]=4 55 B13R1.136 Oc1cc(cc(c1O)F)NCCS c7601bdca3cc69aec5db5602c7717235 [1,2,0,0,0,0|1,0,0]=4 56 B13R1.577 OCc1ccc(cc1O)NCCS 29ef84c657e1bf95babd72d1487e2fd0 [1,2,0,0,0,0|1,0,0]=4 57 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O fbb5ce68a5a56b355707f141f78bad58 [1,2,0,0,0,0|0,0,1]=4 58 B13R1.669 C=CCCNc1ccc(c(c1)O)O f818c0835db3a6260fb19c60478fbe8a [1,2,0,0,0,0|1,0,0]=4 59 B13R1.669 CCCCNc1ccc(c(c1)O)O deb8d7711339243195fd273015acd44b [1,2,0,0,0,0|1,0,0]=4 60 B13R1.669 COCCNc1ccc(c(c1)O)O 2c8ada1317379c4554ac3e8a63dfe705 [1,2,0,0,0,0|1,0,0]=4 61 B13R1.669 CSCCNc1ccc(c(c1)O)O eb9dfe7f781d273929fb8995d40fbec6 [1,2,0,0,0,0|1,0,0]=4 62 B13R1.669 Cc1cc(ccc1O)NCCON b0370e62482eb154605cd97166d9b7d1 [1,2,0,0,0,0|1,0,0]=4 63 B13R1.669 Cc1ccc(cc1O)NCCON d5367a66a6d2e9cf2f933ce61f930626 [1,2,0,0,0,0|1,0,0]=4 64 B13R1.669 NOCCNc1ccc(c(c1)F)O 80143625c890bdc66ba96e1eb7eeefd1 [1,2,0,0,0,0|1,0,0]=4 65 B13R1.669 NOCCNc1ccc(c(c1)O)F 831a72ce3a8fccaa46999b2b081e4e7c [1,2,0,0,0,0|1,0,0]=4 66 B13R1.669 NOCCNc1ccc(c(c1)O)O 17ce2937aaea1b001b3e3f33148e7078 [1,2,0,0,0,0|0,0,0]=3 67 B13R1.669 NOCCNc1cnc(c(c1)O)O 5b1289e2a510dcb89fb4128ac0122db3 [1,2,0,0,0,0|1,0,0]=4 68 B13R1.669 O=CNCCc1ccc(c(c1)O)O 39b39c5c9b42ff8f6db7e6c1514f22c0 [1,2,0,0,0,0|0,0,0]=3 69 B13R1.669 OCCCNc1ccc(c(c1)O)O 4eaa8ebbd6d02fc8d9b1694feaafabe8 [1,2,0,0,0,0|1,0,0]=4 70 B13R1.669 Oc1ccc(cc1O)NCCCCl 8121cbfa20d32af75e2f67599a846f49 [1,2,0,0,0,0|1,0,0]=4 71 B15R1.5521 CCC(O)C(=O)Nc1ccc(c(c1)O)O 3eff4b829d30f8f4e8d056764239241e [0,1,0,0,0,2|1,0,0]=4 72 B15R1.5521 CC[C@@H](O)C(=O)Nc1ccc(c(c1)O)O fe87d70ada3648f57f486f0bc5cd6597 [0,1,0,0,0,2|1,0,0]=4 73 B15R1.5521 CC[C@H](O)C(=O)Nc1ccc(c(c1)O)O bec3b938b0a6bcfcf1e365c8ab3380f7 [0,1,0,0,0,2|1,0,0]=4 74 B15R1.5521 O=C(Nc1ccc(c(c1)O)O)C(O)CO 024c79b71ebb56356b8b04f149900e91 [0,1,0,0,0,2|1,0,0]=4 75 B15R1.5521 O=C(Nc1ccc(c(c1)O)O)[C@@H](O)CO 71cccfe8e7dbd751ea1fa42c18fecfae [0,1,0,0,0,2|1,0,0]=4 76 B15R1.5521 O=C(Nc1ccc(c(c1)O)O)[C@H](O)CF c49eaa548b32cf1a6610aa80f1fc2f65 [0,1,0,0,0,2|1,0,0]=4 77 B15R1.8626 CCC(CO)CNc1ccc(c(c1)O)O ff9190dd864c0bce44a52d79a4470b90 [0,1,0,0,0,2|1,0,0]=4 78 B15R1.8626 CO[C@@H](CO)CNc1ccc(c(c1)O)O 157cc4617659ff96d5a24d7763e80a29 [0,1,0,0,0,2|1,0,0]=4 79 B15R1.8626 OCC(CO)CNc1ccc(c(c1)O)O b1dd870920f8b70b6ec7ad3f5eb0afa0 [0,1,0,0,0,2|1,0,0]=4 80 B15R1.10390 C=CCC(O)CNc1ccc(c(c1)O)O 8f1026d92a329edd22dadecfa28aee22 [0,1,0,0,0,2|1,0,0]=4 81 B15R1.18721 CC(CO)(CO)Nc1ccc(c(c1)O)O 51f5f1e7b4164b022f163694c00660ff [0,2,0,0,0,1|1,0,0]=4 82 B15R1.18721 CCC(C)(CO)Nc1ccc(c(c1)O)O ba5f8c0787ee3db04240fe823029a585 [0,2,0,0,0,1|1,0,0]=4 83 B15R2.18973 Oc1ccc(cc1O)NCC2CCO2 f427efb97c64e0d0903d0e60202cac66 [0,0,0,1,0,2|1,0,0]=4 84 B15R2.18973 Oc1ccc(cc1O)NC[C@@H]2CCO2 1de7a5b5036832bbb201c19de9890ba0 [0,0,0,1,0,2|1,0,0]=4 85 B15R2.18973 Oc1ccc(cc1O)NC[C@H]2CCO2 b0a8153f4470d99e02114d1650f8736b [0,0,0,1,0,2|1,0,0]=4 86 B15R1.11630 OCC(O)CCNc1ccc(c(c1)O)O 5e2e6e5571da59a3fc44605d4675d008 [0,0,0,0,0,3|1,0,0]=4