smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)[O-])c1ccco1 ZINC000584883103 558630280 /nfs/dbraw/zinc/63/02/80/558630280.db2.gz HDNFMCKVMIXCKH-FOIQADDNSA-N -1 0 405.450 4.765 10 0 HJAERM C[C@H](Cc1ccccc1)N(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240906 559067886 /nfs/dbraw/zinc/06/78/86/559067886.db2.gz LCXZIGLJHUQTAS-GOSISDBHSA-N -1 0 415.489 4.953 10 0 HJAERM C[C@H](C(=O)[O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000044546731 568417174 /nfs/dbraw/zinc/41/71/74/568417174.db2.gz SUNFOFCQKNOUIT-HJPURHCSSA-N -1 0 401.462 4.987 10 0 HJAERM C[C@H](C(=O)[O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000002505569 568474655 /nfs/dbraw/zinc/47/46/55/568474655.db2.gz SUNFOFCQKNOUIT-QMHKHESXSA-N -1 0 401.462 4.987 10 0 HJAERM O=C([O-])c1cnc([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)o1 ZINC000675075526 569262695 /nfs/dbraw/zinc/26/26/95/569262695.db2.gz RHBTUDWHWNUQKL-OAHLLOKOSA-N -1 0 418.449 4.501 10 0 HJAERM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000223032194 569277808 /nfs/dbraw/zinc/27/78/08/569277808.db2.gz YSFBIZBGEDEPSZ-GAJHUEQPSA-N -1 0 415.489 4.857 10 0 HJAERM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000226771458 569279255 /nfs/dbraw/zinc/27/92/55/569279255.db2.gz IHSGRKNLSJHFOV-DEOSSOPVSA-N -1 0 405.425 4.664 10 0 HJAERM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000226778602 569279377 /nfs/dbraw/zinc/27/93/77/569279377.db2.gz HXUSDHRFRDZADG-QHCPKHFHSA-N -1 0 417.461 4.702 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000226780581 569279409 /nfs/dbraw/zinc/27/94/09/569279409.db2.gz NHKWRNASUYRQCO-AREMUKBSSA-N -1 0 413.473 4.794 10 0 HJAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000073699916 519006140 /nfs/dbraw/zinc/00/61/40/519006140.db2.gz YKQMNLHQXSVIHI-UHFFFAOYSA-N -1 0 407.470 4.560 10 0 HJAERM CC(C)C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240578 559056331 /nfs/dbraw/zinc/05/63/31/559056331.db2.gz OOKAYBZMCUWPIQ-LEWJYISDSA-N -1 0 411.523 4.810 10 0 HJAERM Cc1cccc2c1CCN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@H]2C(=O)[O-] ZINC000725241069 559068131 /nfs/dbraw/zinc/06/81/31/559068131.db2.gz VHUQIDVQDWXPQO-XMMPIXPASA-N -1 0 413.473 4.928 10 0 HJAERM O=C([O-])[C@H]1C[C@H](C2CCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262441 559170116 /nfs/dbraw/zinc/17/01/16/559170116.db2.gz CMTYHOKKTDEQHV-GAJHUEQPSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000044544868 568417165 /nfs/dbraw/zinc/41/71/65/568417165.db2.gz HKOMTRRWSPPNMH-SFHVURJKSA-N -1 0 419.452 4.923 10 0 HJAERM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1cccc(F)c1 ZINC000095749322 569278916 /nfs/dbraw/zinc/27/89/16/569278916.db2.gz QZIRURDGMVMQFK-KRWDZBQOSA-N -1 0 419.452 4.608 10 0 HJAERM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1 ZINC000095748968 569278922 /nfs/dbraw/zinc/27/89/22/569278922.db2.gz FFCPVPFWFAMQCF-OAQYLSRUSA-N -1 0 409.388 4.629 10 0 HJAERM Cc1cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1F ZINC000226771382 569279267 /nfs/dbraw/zinc/27/92/67/569279267.db2.gz BGEQAKANDBDRMQ-QFIPXVFZSA-N -1 0 405.425 4.799 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000226780331 569279344 /nfs/dbraw/zinc/27/93/44/569279344.db2.gz UPXACBWVNNCAKF-JOCHJYFZSA-N -1 0 423.415 4.971 10 0 HJAERM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1cccc(F)c1 ZINC000226772541 569279392 /nfs/dbraw/zinc/27/93/92/569279392.db2.gz ASUHFTFUVQARFD-XMMPIXPASA-N -1 0 405.425 4.664 10 0 HJAERM CC(C)(C(=O)[O-])[C@H](NC(=O)OCc1ccccc1)c1ccccc1Br ZINC000536958950 569064481 /nfs/dbraw/zinc/06/44/81/569064481.db2.gz LXYCSARDZURNKF-MRXNPFEDSA-N -1 0 406.276 4.527 10 0 HJAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000064978715 569140614 /nfs/dbraw/zinc/14/06/14/569140614.db2.gz PSDZFFOESZYWEK-UHFFFAOYSA-N -1 0 403.910 4.804 10 0 HJAERM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1 ZINC000095748969 569278967 /nfs/dbraw/zinc/27/89/67/569278967.db2.gz FFCPVPFWFAMQCF-NRFANRHFSA-N -1 0 409.388 4.629 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000226781225 569279371 /nfs/dbraw/zinc/27/93/71/569279371.db2.gz IXXQKFOAMLYECE-JOCHJYFZSA-N -1 0 405.425 4.832 10 0 HJAERM Cc1ccc(C)c(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000044320310 524109620 /nfs/dbraw/zinc/10/96/20/524109620.db2.gz CVNXQSOGVUEFSX-DEOSSOPVSA-N -1 0 415.489 4.838 10 0 HJAERM O=C([O-])[C@H]1c2sccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240644 559067088 /nfs/dbraw/zinc/06/70/88/559067088.db2.gz SXQIMVLQFUJWSB-HXUWFJFHSA-N -1 0 405.475 4.681 10 0 HJAERM O=C([O-])c1csc([C@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000725240902 559067884 /nfs/dbraw/zinc/06/78/84/559067884.db2.gz KSLNOXVCFIIJDR-HXUWFJFHSA-N -1 0 420.490 4.927 10 0 HJAERM O=C([O-])C(F)(F)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000725240985 559068055 /nfs/dbraw/zinc/06/80/55/559068055.db2.gz PIJHOEHEXABEAC-NRFANRHFSA-N -1 0 423.415 4.986 10 0 HJAERM O=C([O-])c1ccc(N=C2C[C@@H](c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1O ZINC000103558055 559156286 /nfs/dbraw/zinc/15/62/86/559156286.db2.gz DLYTUOOCTYXYNW-FQEVSTJZSA-N -1 0 420.852 4.828 10 0 HJAERM O=C([O-])c1cccc2c1OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725262472 559170199 /nfs/dbraw/zinc/17/01/99/559170199.db2.gz HWAPIHBPHPJRGK-UHFFFAOYSA-N -1 0 415.445 4.528 10 0 HJAERM CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000064978737 569140621 /nfs/dbraw/zinc/14/06/21/569140621.db2.gz OGFFBMGJZNFNIY-UHFFFAOYSA-N -1 0 403.482 4.839 10 0 HJAERM Cc1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1F ZINC000226771377 569279275 /nfs/dbraw/zinc/27/92/75/569279275.db2.gz BGEQAKANDBDRMQ-JOCHJYFZSA-N -1 0 405.425 4.799 10 0 HJAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc4ccccc43)n2)cc1 ZINC000073698181 523114941 /nfs/dbraw/zinc/11/49/41/523114941.db2.gz JZKKVPJTYJOWPI-UHFFFAOYSA-N -1 0 401.422 4.512 10 0 HJAERM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC2(C1)CCCC2 ZINC000722621275 558887247 /nfs/dbraw/zinc/88/72/47/558887247.db2.gz AMICJVVYGDKPSM-UHFFFAOYSA-N -1 0 405.494 4.950 10 0 HJAERM O=C([O-])c1cnc2c(c1)[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCC2 ZINC000725273209 559179305 /nfs/dbraw/zinc/17/93/05/559179305.db2.gz XLJXFOVJLPLKID-HSZRJFAPSA-N -1 0 414.461 4.696 10 0 HJAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000064978440 569140495 /nfs/dbraw/zinc/14/04/95/569140495.db2.gz UXVXTRYYRRHHBT-UHFFFAOYSA-N -1 0 409.873 4.712 10 0 HJAERM Cc1cccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000095749307 569278948 /nfs/dbraw/zinc/27/89/48/569278948.db2.gz AGYDNXNFSSLKIR-IBGZPJMESA-N -1 0 415.489 4.777 10 0 HJAERM O=C([O-])c1cc2c(s1)CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000142939199 571316798 /nfs/dbraw/zinc/31/67/98/571316798.db2.gz GVXNZCKNIRVXJR-UHFFFAOYSA-N -1 0 405.475 4.754 10 0 HJAERM Cn1cc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 ZINC000033413904 558768584 /nfs/dbraw/zinc/76/85/84/558768584.db2.gz WHXAOBPVFHEJQP-BJKOFHAPSA-N -1 0 410.473 4.744 10 0 HJAERM C[C@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000725240419 559056279 /nfs/dbraw/zinc/05/62/79/559056279.db2.gz DPOYBMRUAFUNQA-RUZDIDTESA-N -1 0 401.462 4.568 10 0 HJAERM O=C([O-])[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262522 559170700 /nfs/dbraw/zinc/17/07/00/559170700.db2.gz OKNVJKKMIXJCKO-QZMQVMSPSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])c1oc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1C(F)F ZINC000536956043 569064392 /nfs/dbraw/zinc/06/43/92/569064392.db2.gz WYBNRXUZBNVVPY-UHFFFAOYSA-N -1 0 400.337 4.671 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000226781230 569279374 /nfs/dbraw/zinc/27/93/74/569279374.db2.gz IXXQKFOAMLYECE-QFIPXVFZSA-N -1 0 405.425 4.832 10 0 HJAERM Cc1nc([C@@](C)(CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cs1 ZINC000722980287 558891348 /nfs/dbraw/zinc/89/13/48/558891348.db2.gz QQUBWPBOYZTAKR-HSZRJFAPSA-N -1 0 422.506 4.680 10 0 HJAERM O=C([O-])C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000723272566 558942947 /nfs/dbraw/zinc/94/29/47/558942947.db2.gz VQUQFRAHYHSLAP-LJQANCHMSA-N -1 0 415.489 4.859 10 0 HJAERM O=C([O-])[C@@H]1c2sccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240643 559067136 /nfs/dbraw/zinc/06/71/36/559067136.db2.gz SXQIMVLQFUJWSB-FQEVSTJZSA-N -1 0 405.475 4.681 10 0 HJAERM O=C([O-])C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079696 569263561 /nfs/dbraw/zinc/26/35/61/569263561.db2.gz WPCGMFOYPDINEO-OALUTQOASA-N -1 0 419.399 4.663 10 0 HJAERM O=C([O-])c1cncc([C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000722398882 558886658 /nfs/dbraw/zinc/88/66/58/558886658.db2.gz RLWIFVKOJHNSFN-QHCPKHFHSA-N -1 0 414.461 4.866 10 0 HJAERM O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000723272565 558942840 /nfs/dbraw/zinc/94/28/40/558942840.db2.gz VQUQFRAHYHSLAP-IBGZPJMESA-N -1 0 415.489 4.859 10 0 HJAERM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725242047 559069359 /nfs/dbraw/zinc/06/93/59/559069359.db2.gz BWLBMHNTWZKWGX-KGLIPLIRSA-N -1 0 419.399 4.521 10 0 HJAERM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(c2ccccc2)C1 ZINC000253188283 568416756 /nfs/dbraw/zinc/41/67/56/568416756.db2.gz WMOYPWCGSJTGHI-UHFFFAOYSA-N -1 0 413.473 4.926 10 0 HJAERM O=C([O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(F)(F)F ZINC000253189567 568416772 /nfs/dbraw/zinc/41/67/72/568416772.db2.gz ZECFCDIXTZFSOR-MJGOQNOKSA-N -1 0 419.399 4.663 10 0 HJAERM CC(C)(C(=O)[O-])[C@@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000536958449 569064456 /nfs/dbraw/zinc/06/44/56/569064456.db2.gz KHVJFBYPEQOIIE-INIZCTEOSA-N -1 0 406.276 4.527 10 0 HJAERM O=C([O-])C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079692 569263527 /nfs/dbraw/zinc/26/35/27/569263527.db2.gz WPCGMFOYPDINEO-MOPGFXCFSA-N -1 0 419.399 4.663 10 0 HJAERM O=C([O-])[C@H]1[C@H](c2ccccc2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385655 571315697 /nfs/dbraw/zinc/31/56/97/571315697.db2.gz XZINBBVSLWSWBO-MHECFPHRSA-N -1 0 413.473 4.878 10 0 HJAERM CC(C)C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240581 559056310 /nfs/dbraw/zinc/05/63/10/559056310.db2.gz OOKAYBZMCUWPIQ-SFTDATJTSA-N -1 0 411.523 4.810 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000725240890 559067939 /nfs/dbraw/zinc/06/79/39/559067939.db2.gz KHKQIMCJSIRPRX-LJQANCHMSA-N -1 0 415.489 4.953 10 0 HJAERM O=C([O-])C(F)(F)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000725240986 559068022 /nfs/dbraw/zinc/06/80/22/559068022.db2.gz PIJHOEHEXABEAC-OAQYLSRUSA-N -1 0 423.415 4.986 10 0 HJAERM CSC1(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000725246879 559076145 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Cc1cccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000002513223 571315710 /nfs/dbraw/zinc/31/57/10/571315710.db2.gz AGYDNXNFSSLKIR-LJQANCHMSA-N -1 0 415.489 4.777 10 0 HJAERM Cc1ccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002505558 571315713 /nfs/dbraw/zinc/31/57/13/571315713.db2.gz WUAJTZAECZEGGO-LJQANCHMSA-N -1 0 415.489 4.777 10 0 HJAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000073702630 523113718 /nfs/dbraw/zinc/11/37/18/523113718.db2.gz PKZALRPCBQXAAP-UHFFFAOYSA-N -1 0 420.252 4.666 10 0 HJAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000073703855 525736845 /nfs/dbraw/zinc/73/68/45/525736845.db2.gz CMAMTAGAJHMNRB-UHFFFAOYSA-N -1 0 419.359 4.558 10 0 HJAERM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2CCCC[C@H]12 ZINC000725240511 559056148 /nfs/dbraw/zinc/05/61/48/559056148.db2.gz KIRXMZXVWDUNTP-XPNTWCBSSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])[C@@H]1C[C@H](C2CCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262443 559170209 /nfs/dbraw/zinc/17/02/09/559170209.db2.gz CMTYHOKKTDEQHV-SBUREZEXSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262520 559170696 /nfs/dbraw/zinc/17/06/96/559170696.db2.gz OKNVJKKMIXJCKO-QQMNAOGKSA-N -1 0 405.494 4.901 10 0 HJAERM COc1ccc2c(c1)[C@H](C(=O)[O-])CN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000669372639 569039282 /nfs/dbraw/zinc/03/92/82/569039282.db2.gz USPZLKXLIQGHOC-OAQYLSRUSA-N -1 0 415.445 4.633 10 0 HJAERM O=C([O-])c1cnc([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)o1 ZINC000675075525 569262675 /nfs/dbraw/zinc/26/26/75/569262675.db2.gz RHBTUDWHWNUQKL-HNNXBMFYSA-N -1 0 418.449 4.501 10 0 HJAERM Cc1ccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000044546680 524665991 /nfs/dbraw/zinc/66/59/91/524665991.db2.gz WUAJTZAECZEGGO-IBGZPJMESA-N -1 0 415.489 4.777 10 0 HJAERM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(=O)[O-])c1ccco1 ZINC000584883110 558630398 /nfs/dbraw/zinc/63/03/98/558630398.db2.gz HDNFMCKVMIXCKH-YWZLYKJASA-N -1 0 405.450 4.765 10 0 HJAERM CC(C)C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240580 559056321 /nfs/dbraw/zinc/05/63/21/559056321.db2.gz OOKAYBZMCUWPIQ-RTWAWAEBSA-N -1 0 411.523 4.810 10 0 HJAERM Cc1nc([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)[O-] ZINC000725240660 559066876 /nfs/dbraw/zinc/06/68/76/559066876.db2.gz UVWNHNRXQAIGOU-ZDUSSCGKSA-N -1 0 408.479 4.749 10 0 HJAERM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]1CC=CCC1 ZINC000725246725 559076124 /nfs/dbraw/zinc/07/61/24/559076124.db2.gz UJAJBIYBBMAJSY-QZTJIDSGSA-N -1 0 405.494 4.972 10 0 HJAERM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000669381079 569040058 /nfs/dbraw/zinc/04/00/58/569040058.db2.gz XKPNYVSRINEPCE-PMBLGMBLSA-N -1 0 421.493 4.627 10 0 HJAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000064978705 569140660 /nfs/dbraw/zinc/14/06/60/569140660.db2.gz IJMTUYPKVQQDET-UHFFFAOYSA-N -1 0 403.910 4.804 10 0 HJAERM Cc1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc(C)c1O ZINC000226772312 569279250 /nfs/dbraw/zinc/27/92/50/569279250.db2.gz RHMLXVLANAFSIT-JOCHJYFZSA-N -1 0 417.461 4.673 10 0 HJAERM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1cc(F)ccc1F ZINC000226771644 569279308 /nfs/dbraw/zinc/27/93/08/569279308.db2.gz BICRMSFOEGSCKJ-XMMPIXPASA-N -1 0 423.415 4.803 10 0 HJAERM C/C(=C\CC/C(C)=C/Cc1c([O-])c(Cl)c(C)c(C=O)c1O)CC[C@H](O)C(C)(C)O ZINC000059205597 291271406 /nfs/dbraw/zinc/27/14/06/291271406.db2.gz DVURAWKKNXOYHO-LHDPSMIPSA-N -1 0 424.965 4.999 10 0 biogenic HJAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc4ccccc43)n2)c1 ZINC000073698175 525710032 /nfs/dbraw/zinc/71/00/32/525710032.db2.gz YSLQSVOTRKXHGR-UHFFFAOYSA-N -1 0 401.422 4.512 10 0 HJAERM Cc1nc([C@](C)(CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cs1 ZINC000722980298 558891393 /nfs/dbraw/zinc/89/13/93/558891393.db2.gz QQUBWPBOYZTAKR-QHCPKHFHSA-N -1 0 422.506 4.680 10 0 HJAERM CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(F)F ZINC000585143237 558984146 /nfs/dbraw/zinc/98/41/46/558984146.db2.gz NFSHKSCBQULSAS-GOSISDBHSA-N -1 0 403.425 4.660 10 0 HJAERM O=C([O-])[C@@H]1CCC[C@@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240774 559067600 /nfs/dbraw/zinc/06/76/00/559067600.db2.gz BSFBUKFYSYYRRX-OALUTQOASA-N -1 0 419.399 4.806 10 0 HJAERM C[C@]1(C(=O)[O-])c2sccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241025 559068067 /nfs/dbraw/zinc/06/80/67/559068067.db2.gz SGAQTBLJWSOLIN-XMMPIXPASA-N -1 0 419.502 4.855 10 0 HJAERM O=C([O-])[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]2CC[C@@H](C2)C1 ZINC000725245500 559075314 /nfs/dbraw/zinc/07/53/14/559075314.db2.gz UFZOHIYTBQDVJQ-MSQBMUPWSA-N -1 0 405.494 4.806 10 0 HJAERM O=C([O-])[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262519 559170728 /nfs/dbraw/zinc/17/07/28/559170728.db2.gz OKNVJKKMIXJCKO-MFEFFIJZSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c2c(c1)OCCO2 ZINC000725270255 559178050 /nfs/dbraw/zinc/17/80/50/559178050.db2.gz KHXSVDHRHLIJLS-UHFFFAOYSA-N -1 0 417.417 4.517 10 0 HJAERM COc1cc2ccc3c(c2cc1OC)N(C)[C@@H](CC(=O)[O-])c1c-3ccc(OC)c1OC ZINC000004102419 560196959 /nfs/dbraw/zinc/19/69/59/560196959.db2.gz ITTVQFYNAAJGHT-KRWDZBQOSA-N -1 0 423.465 4.507 10 0 in-vitro HJAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000064978703 569140664 /nfs/dbraw/zinc/14/06/64/569140664.db2.gz KPGHIECYCHXEQW-UHFFFAOYSA-N -1 0 403.910 4.804 10 0 HJAERM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000223032314 569277850 /nfs/dbraw/zinc/27/78/50/569277850.db2.gz YSFBIZBGEDEPSZ-SBUREZEXSA-N -1 0 415.489 4.857 10 0 HJAERM Cc1cccc(C)c1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000230046433 571315712 /nfs/dbraw/zinc/31/57/12/571315712.db2.gz GTOOLAZAOWLDIW-HSZRJFAPSA-N -1 0 401.462 4.968 10 0 HJAERM O=C([O-])[C@@]12C[C@@H]1c1ccccc1CN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240492 559056125 /nfs/dbraw/zinc/05/61/25/559056125.db2.gz JEOLTKXPRHYCAM-ZEQKJWHPSA-N -1 0 411.457 4.762 10 0 HJAERM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000725240510 559056157 /nfs/dbraw/zinc/05/61/57/559056157.db2.gz KIRXMZXVWDUNTP-XJUOHMSHSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])[C@H]1CCC[C@@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240773 559067649 /nfs/dbraw/zinc/06/76/49/559067649.db2.gz BSFBUKFYSYYRRX-MOPGFXCFSA-N -1 0 419.399 4.806 10 0 HJAERM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC2(CC2)CC1 ZINC000725244630 559073577 /nfs/dbraw/zinc/07/35/77/559073577.db2.gz KVNBWNSMGRLUJK-UHFFFAOYSA-N -1 0 405.494 4.950 10 0 HJAERM CSC1(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000725246880 559076118 /nfs/dbraw/zinc/07/61/18/559076118.db2.gz ZSCRICBLKKLCBP-OAHLLOKOSA-N -1 0 411.523 4.512 10 0 HJAERM O=C([O-])c1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725260897 559166140 /nfs/dbraw/zinc/16/61/40/559166140.db2.gz ZDPPPWNBCYZYRC-UHFFFAOYSA-N -1 0 415.445 4.528 10 0 HJAERM O=C([O-])c1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n2c1CCCC2 ZINC000725262439 559170305 /nfs/dbraw/zinc/17/03/05/559170305.db2.gz CBBHBHMPHFUZED-UHFFFAOYSA-N -1 0 416.477 4.561 10 0 HJAERM O=C([O-])[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262518 559170616 /nfs/dbraw/zinc/17/06/16/559170616.db2.gz OKNVJKKMIXJCKO-DGGJZMOXSA-N -1 0 405.494 4.901 10 0 HJAERM C[C@@H](C(=O)[O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000044546734 568509056 /nfs/dbraw/zinc/50/90/56/568509056.db2.gz SUNFOFCQKNOUIT-MWTRTKDXSA-N -1 0 401.462 4.987 10 0 HJAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000064978450 569140539 /nfs/dbraw/zinc/14/05/39/569140539.db2.gz OGGXFYPERQPXDE-UHFFFAOYSA-N -1 0 409.873 4.712 10 0 HJAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000064978442 569140552 /nfs/dbraw/zinc/14/05/52/569140552.db2.gz RAOMMNWQNDMUBU-UHFFFAOYSA-N -1 0 409.873 4.712 10 0 HJAERM CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000064978736 569140658 /nfs/dbraw/zinc/14/06/58/569140658.db2.gz KPILQBAQVHKMPR-UHFFFAOYSA-N -1 0 409.511 4.900 10 0 HJAERM O=C([O-])c1cnc([C@H]2CCCCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC000675075622 569262774 /nfs/dbraw/zinc/26/27/74/569262774.db2.gz SKNKXLCLQKLYHS-HXUWFJFHSA-N -1 0 418.449 4.849 10 0 HJAERM O=C([O-])[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCc2c1cccc2F ZINC000219544378 569269503 /nfs/dbraw/zinc/26/95/03/569269503.db2.gz REEVZMYFUWCAPX-RUZDIDTESA-N -1 0 417.436 4.591 10 0 HJAERM Cc1ccccc1C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000095749306 569278926 /nfs/dbraw/zinc/27/89/26/569278926.db2.gz BOMGOVLIMBPPHJ-LJQANCHMSA-N -1 0 415.489 4.777 10 0 HJAERM Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1C ZINC000226772427 569279399 /nfs/dbraw/zinc/27/93/99/569279399.db2.gz XOYKQZYBBSEZPD-HSZRJFAPSA-N -1 0 401.462 4.968 10 0 HJAERM CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C/C=C/C(=O)[O-])[C@H]21 ZINC000022055553 558460035 /nfs/dbraw/zinc/46/00/35/558460035.db2.gz GZNNEBSOVGPMRL-GDBYVQFKSA-N -1 0 418.574 4.911 10 0 in-vitro HJAERM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(=O)[O-])c1ccco1 ZINC000584883109 558630295 /nfs/dbraw/zinc/63/02/95/558630295.db2.gz HDNFMCKVMIXCKH-QRWLVFNGSA-N -1 0 405.450 4.765 10 0 HJAERM O=C([O-])c1cc(N2C(=O)c3cc4ccccc4c(-c4ccccc4)c3C2=O)ccc1O ZINC000048524232 558845796 /nfs/dbraw/zinc/84/57/96/558845796.db2.gz SRNSVNKPBPJEFB-UHFFFAOYSA-N -1 0 409.397 4.711 10 0 HJAERM CC(C)C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240579 559056336 /nfs/dbraw/zinc/05/63/36/559056336.db2.gz OOKAYBZMCUWPIQ-NHCUHLMSSA-N -1 0 411.523 4.810 10 0 HJAERM CC(C)[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000725241145 559068242 /nfs/dbraw/zinc/06/82/42/559068242.db2.gz ZJAWRZRNQVDDCW-QHCPKHFHSA-N -1 0 423.509 4.526 10 0 HJAERM O=C([O-])[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC2CCC1CC2 ZINC000725244085 559072605 /nfs/dbraw/zinc/07/26/05/559072605.db2.gz DSSNFLQYNXHHCF-SBSMMSGMSA-N -1 0 405.494 4.806 10 0 HJAERM CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000064978733 569140612 /nfs/dbraw/zinc/14/06/12/569140612.db2.gz CCBMDRJENJIZOF-UHFFFAOYSA-N -1 0 421.472 4.978 10 0 HJAERM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CC[C@H](c2ccccc2)C1 ZINC000064979011 569140743 /nfs/dbraw/zinc/14/07/43/569140743.db2.gz JBQVGBQAGXKWDO-KRWDZBQOSA-N -1 0 421.884 4.679 10 0 HJAERM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(F)cc1 ZINC000095749324 569278911 /nfs/dbraw/zinc/27/89/11/569278911.db2.gz LPKIKUCASWEZBA-KRWDZBQOSA-N -1 0 419.452 4.608 10 0 HJAERM Cc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1C ZINC000226772338 569279383 /nfs/dbraw/zinc/27/93/83/569279383.db2.gz LMFBKKKJYAVBJC-HSZRJFAPSA-N -1 0 401.462 4.968 10 0 HJAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000226778559 569279414 /nfs/dbraw/zinc/27/94/14/569279414.db2.gz JRWBJVJAKFZNRQ-QFIPXVFZSA-N -1 0 423.415 4.971 10 0 HJAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000073702871 523112802 /nfs/dbraw/zinc/11/28/02/523112802.db2.gz JLQZWZOVLUJJME-UHFFFAOYSA-N -1 0 420.252 4.666 10 0 HJAERM O=C([O-])c1ccn(-c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC000073681464 526398610 /nfs/dbraw/zinc/39/86/10/526398610.db2.gz CSXLEBVYJDHGFD-UHFFFAOYSA-N -1 0 410.355 4.713 10 0 HJAERM C[C@@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(Cc1ccccc1)C(=O)[O-] ZINC000722976379 558891420 /nfs/dbraw/zinc/89/14/20/558891420.db2.gz DINOQQSVECQBJE-SANMLTNESA-N -1 0 415.489 4.859 10 0 HJAERM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C(F)F)CC1 ZINC000723274706 558943158 /nfs/dbraw/zinc/94/31/58/558943158.db2.gz KKJKCNZBVLYHOX-UHFFFAOYSA-N -1 0 415.436 4.804 10 0 HJAERM CC(C)[C@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000725241144 559068238 /nfs/dbraw/zinc/06/82/38/559068238.db2.gz 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HJAERM Cc1cc(C)cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000044320570 524398111 /nfs/dbraw/zinc/39/81/11/524398111.db2.gz SYSAOASBWBMFGU-XMMPIXPASA-N -1 0 415.489 4.838 10 0 HJAERM O=C([O-])[C@H]1c2ccsc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071084648 558825878 /nfs/dbraw/zinc/82/58/78/558825878.db2.gz KQQVUKXKKZSEIM-OAQYLSRUSA-N -1 0 405.475 4.681 10 0 HJAERM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCC[C@@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010304 558829594 /nfs/dbraw/zinc/82/95/94/558829594.db2.gz WMVFXXWGJDEBOD-QGZVFWFLSA-N -1 0 417.509 4.659 10 0 HJAERM O=C([O-])[C@]12C[C@H]1c1ccccc1CN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240491 559056167 /nfs/dbraw/zinc/05/61/67/559056167.db2.gz JEOLTKXPRHYCAM-OZXSUGGESA-N -1 0 411.457 4.762 10 0 HJAERM Cc1ccc(-n2c(=S)[n-]nc2[C@@H](Cc2ccccc2)NC(=O)NC(C)(C)C)cc1 ZINC000085347577 559056688 /nfs/dbraw/zinc/05/66/88/559056688.db2.gz HKFULYKNGJHKFG-GOSISDBHSA-N -1 0 409.559 4.620 10 0 HJAERM 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ZINC000725273210 559179236 /nfs/dbraw/zinc/17/92/36/559179236.db2.gz XLJXFOVJLPLKID-QHCPKHFHSA-N -1 0 414.461 4.696 10 0 HJAERM O=C([O-])[C@H]1[C@@H](c2ccccc2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000035529512 568416739 /nfs/dbraw/zinc/41/67/39/568416739.db2.gz XZINBBVSLWSWBO-HOYKHHGWSA-N -1 0 413.473 4.878 10 0 HJAERM COc1ccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000226771876 569279265 /nfs/dbraw/zinc/27/92/65/569279265.db2.gz ITVZVFFSLZZBBQ-RUZDIDTESA-N -1 0 417.461 4.534 10 0 HJAERM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000226771463 569279316 /nfs/dbraw/zinc/27/93/16/569279316.db2.gz IHSGRKNLSJHFOV-XMMPIXPASA-N -1 0 405.425 4.664 10 0 HJAERM C[C@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)[O-])c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C ZINC000031158006 291278219 /nfs/dbraw/zinc/27/82/19/291278219.db2.gz CEJSYHIZUAMEQV-JJRVBVJISA-N -1 0 422.477 4.783 10 0 biogenic HJAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000073702945 523113673 /nfs/dbraw/zinc/11/36/73/523113673.db2.gz BLLVYZNQACCDRQ-UHFFFAOYSA-N -1 0 420.252 4.666 10 0 HJAERM Cc1cc(C)cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000044320569 524399638 /nfs/dbraw/zinc/39/96/38/524399638.db2.gz SYSAOASBWBMFGU-DEOSSOPVSA-N -1 0 415.489 4.838 10 0 HJAERM O=C([O-])c1cc(-c2cccs2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492155 526342285 /nfs/dbraw/zinc/34/22/85/526342285.db2.gz SGECPPIIRJDBLI-UHFFFAOYSA-N -1 0 400.257 4.814 10 0 HJAERM O=C([O-])[C@H](CC1CC2(CCC2)C1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000585143140 559052321 /nfs/dbraw/zinc/05/23/21/559052321.db2.gz BTWXZUXMXBRYIN-QFIPXVFZSA-N -1 0 405.494 4.949 10 0 HJAERM C[C@@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1F ZINC000725240955 559067698 /nfs/dbraw/zinc/06/76/98/559067698.db2.gz NXFWEWYBVSPRHN-VWLOTQADSA-N -1 0 419.452 4.707 10 0 HJAERM C[C@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1F ZINC000725240954 559067703 /nfs/dbraw/zinc/06/77/03/559067703.db2.gz NXFWEWYBVSPRHN-RUZDIDTESA-N -1 0 419.452 4.707 10 0 HJAERM Cc1cccc2c1CCN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@@H]2C(=O)[O-] ZINC000725241068 559068155 /nfs/dbraw/zinc/06/81/55/559068155.db2.gz VHUQIDVQDWXPQO-DEOSSOPVSA-N -1 0 413.473 4.928 10 0 HJAERM O=C([O-])CSc1c2ccc(C(=O)Nc3ccccc3F)cc2nc2c1CCCC2 ZINC000004885220 559196838 /nfs/dbraw/zinc/19/68/38/559196838.db2.gz JUMKUCMYEFZGKR-UHFFFAOYSA-N -1 0 410.470 4.682 10 0 HJAERM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1cccc(F)c1 ZINC000226772537 569279360 /nfs/dbraw/zinc/27/93/60/569279360.db2.gz ASUHFTFUVQARFD-DEOSSOPVSA-N -1 0 405.425 4.664 10 0 HJAERM CC[C@H](C(=O)[O-])c1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000048533892 569358395 /nfs/dbraw/zinc/35/83/95/569358395.db2.gz PDULCNVEIYYULU-KRWDZBQOSA-N -1 0 409.441 4.780 10 0 HJAERM O=C([O-])C(F)(F)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240536 559056119 /nfs/dbraw/zinc/05/61/19/559056119.db2.gz MJORLHFDTAEBCY-LJQANCHMSA-N -1 0 401.409 4.510 10 0 HJAERM O=C([O-])[C@H]1C[C@@H](C2CCCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262444 559170206 /nfs/dbraw/zinc/17/02/06/559170206.db2.gz CMTYHOKKTDEQHV-UZUQRXQVSA-N -1 0 405.494 4.901 10 0 HJAERM C[C@@H]1CCC[C@]2(C1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000669381148 569040051 /nfs/dbraw/zinc/04/00/51/569040051.db2.gz ZNSUNTPOCHLJPS-QOFFVNHYSA-N -1 0 421.493 4.627 10 0 HJAERM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)cnc1N1CC[C@@H](c2ccccc2)C1 ZINC000064978986 569140780 /nfs/dbraw/zinc/14/07/80/569140780.db2.gz RMGIXWGNPCVTIS-MRXNPFEDSA-N -1 0 421.884 4.679 10 0 HJAERM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1F ZINC000095749320 569278963 /nfs/dbraw/zinc/27/89/63/569278963.db2.gz ZGPQVCZHAMSDBV-KRWDZBQOSA-N -1 0 419.452 4.608 10 0 HJAERM COc1ccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000226771880 569279238 /nfs/dbraw/zinc/27/92/38/569279238.db2.gz ITVZVFFSLZZBBQ-VWLOTQADSA-N -1 0 417.461 4.534 10 0 HJAERM C[C@]12CC[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)[O-])[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000032105562 569357856 /nfs/dbraw/zinc/35/78/56/569357856.db2.gz FUWPIIQBDFSAAR-XBALRTGLSA-N -1 0 412.526 4.889 10 0 HJAERM Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])c2)c1 ZINC000020408014 524220117 /nfs/dbraw/zinc/22/01/17/524220117.db2.gz BIIYPPYRLUEGKQ-UHFFFAOYSA-N -1 0 408.841 4.851 10 0 HJAERM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000725240509 559056139 /nfs/dbraw/zinc/05/61/39/559056139.db2.gz KIRXMZXVWDUNTP-QZNHQXDQSA-N -1 0 405.494 4.901 10 0 HJAERM O=C([O-])[C@@H]1CCC[C@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240775 559067671 /nfs/dbraw/zinc/06/76/71/559067671.db2.gz BSFBUKFYSYYRRX-RBUKOAKNSA-N -1 0 419.399 4.806 10 0 HJAERM O=C([O-])C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079698 569263519 /nfs/dbraw/zinc/26/35/19/569263519.db2.gz WPCGMFOYPDINEO-RBUKOAKNSA-N -1 0 419.399 4.663 10 0 HJAERM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1F ZINC000226772226 569279242 /nfs/dbraw/zinc/27/92/42/569279242.db2.gz PIUXIRFYZROQBJ-DEOSSOPVSA-N -1 0 405.425 4.664 10 0 HJAERM