smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000000029108 206210788 /nfs/dbraw/zinc/21/07/88/206210788.db2.gz GXVKXTHXJJXWEO-LZNRXBQRSA-N -1 0 341.410 5.365 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000000037696 563212139 /nfs/dbraw/zinc/21/21/39/563212139.db2.gz SCUOKCBFDYYYOU-SOZUMNATSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1cccc2ccccc21 ZINC000000037739 564012259 /nfs/dbraw/zinc/01/22/59/564012259.db2.gz VCLVPVIBZPAXRU-UHFFFAOYSA-N -1 0 347.439 5.376 50 10 EKCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000094345 563976623 /nfs/dbraw/zinc/97/66/23/563976623.db2.gz AFQXAOUQZPFYDQ-UEXGIBASSA-N -1 0 333.431 5.335 50 10 EKCARM [O-]c1c(Cl)cc(Cl)cc1C1Nc2cccc3cccc(c32)N1 ZINC000000094435 563223564 /nfs/dbraw/zinc/22/35/64/563223564.db2.gz SVKBFMKMLZRWRS-UHFFFAOYSA-N -1 0 331.202 5.388 50 10 EKCARM Cc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000000094454 201432710 /nfs/dbraw/zinc/43/27/10/201432710.db2.gz JOGOJDAYENVHIR-VCBZYWHSSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000000094600 564116625 /nfs/dbraw/zinc/11/66/25/564116625.db2.gz LPMBESPHZMRLCH-JTDSTZFVSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000000094785 563976645 /nfs/dbraw/zinc/97/66/45/563976645.db2.gz JBLWUTKTBNDTDF-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C)c2C)cc1 ZINC000000094833 209416043 /nfs/dbraw/zinc/41/60/43/209416043.db2.gz URKAHCOPFWIFHT-UHFFFAOYSA-N -1 0 333.431 5.087 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)cc2C)cc1 ZINC000000094836 209416853 /nfs/dbraw/zinc/41/68/53/209416853.db2.gz VTNHGHNFDYSYPL-UHFFFAOYSA-N -1 0 333.431 5.087 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(C)ccc2C)cc1 ZINC000000094840 563976644 /nfs/dbraw/zinc/97/66/44/563976644.db2.gz RZJQCGWQORROEY-UHFFFAOYSA-N -1 0 333.431 5.087 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)c(C)c2)cc1 ZINC000000094847 563976657 /nfs/dbraw/zinc/97/66/57/563976657.db2.gz WSYCGTIKEVOFLZ-UHFFFAOYSA-N -1 0 333.431 5.087 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(C)cc(C)c2)cc1 ZINC000000094851 563976642 /nfs/dbraw/zinc/97/66/42/563976642.db2.gz LUJGFYJVWVIIHB-UHFFFAOYSA-N -1 0 333.431 5.087 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(C)C)cc2)cc1 ZINC000000094855 209416553 /nfs/dbraw/zinc/41/65/53/209416553.db2.gz XNLOGBXGYLIMHX-UHFFFAOYSA-N -1 0 347.458 5.593 50 10 EKCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)cc2)cc1 ZINC000000094861 563976656 /nfs/dbraw/zinc/97/66/56/563976656.db2.gz BDJOBUBJVSUJPR-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1 ZINC000000094865 563976655 /nfs/dbraw/zinc/97/66/55/563976655.db2.gz YSYIPPFZWIMZEP-UHFFFAOYSA-N -1 0 333.431 5.032 50 10 EKCARM CC(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000000094884 563976636 /nfs/dbraw/zinc/97/66/36/563976636.db2.gz ZOPGVOZYBCXHSX-UHFFFAOYSA-N -1 0 339.460 5.346 50 10 EKCARM Cc1c(Cl)cccc1-n1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000094896 563976659 /nfs/dbraw/zinc/97/66/59/563976659.db2.gz FQBOBXSRUFWFLN-UHFFFAOYSA-N -1 0 345.851 5.185 50 10 EKCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1Cl ZINC000000094899 563223532 /nfs/dbraw/zinc/22/35/32/563223532.db2.gz OUVQVVPQIMNLLD-UHFFFAOYSA-N -1 0 345.851 5.185 50 10 EKCARM Cc1cc(Cl)ccc1-n1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000094902 563223823 /nfs/dbraw/zinc/22/38/23/563223823.db2.gz RRFBMBYXYJTWME-UHFFFAOYSA-N -1 0 345.851 5.185 50 10 EKCARM Cc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000094903 563223817 /nfs/dbraw/zinc/22/38/17/563223817.db2.gz JJILBEAMEQJPBC-UHFFFAOYSA-N -1 0 345.851 5.185 50 10 EKCARM Cc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000000094923 563976649 /nfs/dbraw/zinc/97/66/49/563976649.db2.gz MGHTWSXWVBDTGI-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2-n2cccc21 ZINC000000137187 209443088 /nfs/dbraw/zinc/44/30/88/209443088.db2.gz TWIGDZGBHDQKOR-INIZCTEOSA-N -1 0 331.202 5.005 50 10 EKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2-n2cccc21 ZINC000000137189 563240775 /nfs/dbraw/zinc/24/07/75/563240775.db2.gz TWIGDZGBHDQKOR-MRXNPFEDSA-N -1 0 331.202 5.005 50 10 EKCARM Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(Cl)c1[O-])c1cccn1-2 ZINC000000138118 563241184 /nfs/dbraw/zinc/24/11/84/563241184.db2.gz VWXDPIGSVFCJEV-KRWDZBQOSA-N -1 0 345.229 5.313 50 10 EKCARM Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(Cl)c1[O-])c1cccn1-2 ZINC000000138120 563241262 /nfs/dbraw/zinc/24/12/62/563241262.db2.gz VWXDPIGSVFCJEV-QGZVFWFLSA-N -1 0 345.229 5.313 50 10 EKCARM O=C([O-])CCc1ccc(-c2ccccc2)n1-c1cccc2ccccc21 ZINC000000318797 563284043 /nfs/dbraw/zinc/28/40/43/563284043.db2.gz AMCNVTTVYZSTEK-UHFFFAOYSA-N -1 0 341.410 5.315 50 10 EKCARM Cc1c(Cl)cccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000000359446 563292567 /nfs/dbraw/zinc/29/25/67/563292567.db2.gz GYHVNZCLHGEFIF-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1Cl ZINC000000359447 563292624 /nfs/dbraw/zinc/29/26/24/563292624.db2.gz NYNNSWPOVJWZMA-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1Cl ZINC000000462290 206240932 /nfs/dbraw/zinc/24/09/32/206240932.db2.gz SSEUCMQZMXBPSK-UHFFFAOYSA-N -1 0 339.822 5.123 50 10 EKCARM CC(C)c1ccc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000000469149 209621512 /nfs/dbraw/zinc/62/15/12/209621512.db2.gz CFJMANBLKUZSME-UHFFFAOYSA-N -1 0 338.432 5.375 50 10 EKCARM CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000001082957 564054329 /nfs/dbraw/zinc/05/43/29/564054329.db2.gz RWGOYNCGDIHCFK-LQWHRVPQSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000001408608 209742068 /nfs/dbraw/zinc/74/20/68/209742068.db2.gz RWGOYNCGDIHCFK-DBXWQHBBSA-N -1 0 333.431 5.335 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 ZINC000002478171 206385548 /nfs/dbraw/zinc/38/55/48/206385548.db2.gz XIMHWDQOXFCVJX-IGCXYCKISA-N -1 0 343.785 5.004 50 10 EKCARM Cc1ccc(Cl)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000002578390 209870049 /nfs/dbraw/zinc/87/00/49/209870049.db2.gz JOGOJDAYENVHIR-YZVOILCLSA-N -1 0 339.822 5.173 50 10 EKCARM O=C(c1sc2ccccc2c1[O-])c1ccc(-c2ccccc2)cc1 ZINC000003331638 210009403 /nfs/dbraw/zinc/00/94/03/210009403.db2.gz SOPUVXGOBZYSGL-UHFFFAOYSA-N -1 0 330.408 5.505 50 10 EKCARM CCCN(CCC)c1ccc(/N=N/c2ccccc2C(=O)[O-])cc1 ZINC000003894832 563490534 /nfs/dbraw/zinc/49/05/34/563490534.db2.gz LIIDWKDFORMMDQ-QZQOTICOSA-N -1 0 325.412 5.427 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2 ZINC000004018855 563492146 /nfs/dbraw/zinc/49/21/46/563492146.db2.gz SCUOKCBFDYYYOU-FTLABTOESA-N -1 0 343.785 5.004 50 10 EKCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004140402 210131271 /nfs/dbraw/zinc/13/12/71/210131271.db2.gz AFQXAOUQZPFYDQ-WFXMLNOXSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000004140535 210131187 /nfs/dbraw/zinc/13/11/87/210131187.db2.gz RWGOYNCGDIHCFK-OPYAIIAOSA-N -1 0 333.431 5.335 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004140605 210131476 /nfs/dbraw/zinc/13/14/76/210131476.db2.gz LPMBESPHZMRLCH-TXPKVOOTSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004140607 210130931 /nfs/dbraw/zinc/13/09/31/210130931.db2.gz LPMBESPHZMRLCH-FRQCXROJSA-N -1 0 339.822 5.173 50 10 EKCARM CCCCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1 ZINC000004140736 210131575 /nfs/dbraw/zinc/13/15/75/210131575.db2.gz QFKXCARNPUZAPD-UHFFFAOYSA-N -1 0 347.458 5.504 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000004163947 210136482 /nfs/dbraw/zinc/13/64/82/210136482.db2.gz RPXNVRXONVBSFU-GJYPPUQNSA-N -1 0 339.822 5.173 50 10 EKCARM CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004168323 210138422 /nfs/dbraw/zinc/13/84/22/210138422.db2.gz DARCHSDNEVZDJJ-CMKODMSKSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004168325 210138033 /nfs/dbraw/zinc/13/80/33/210138033.db2.gz DARCHSDNEVZDJJ-NLWGTHIKSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172100 564160972 /nfs/dbraw/zinc/16/09/72/564160972.db2.gz AFQXAOUQZPFYDQ-LQWHRVPQSA-N -1 0 333.431 5.335 50 10 EKCARM O=C([O-])c1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172111 210137837 /nfs/dbraw/zinc/13/78/37/210137837.db2.gz FRULYOFBIGPUNF-DYXWJJEUSA-N -1 0 341.410 5.365 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000004172177 201592870 /nfs/dbraw/zinc/59/28/70/201592870.db2.gz LPMBESPHZMRLCH-GJYPPUQNSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000004199907 210144250 /nfs/dbraw/zinc/14/42/50/210144250.db2.gz MIUBSDCCDUMSBA-VCBZYWHSSA-N -1 0 339.822 5.173 50 10 EKCARM CCc1ccc(-n2c(C)c(C(=O)[O-])cc2-c2ccc(Cl)cc2)cc1 ZINC000004237708 210149017 /nfs/dbraw/zinc/14/90/17/210149017.db2.gz AITXDYPTJYTTMF-UHFFFAOYSA-N -1 0 339.822 5.367 50 10 EKCARM Cc1ccc(Cl)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004320930 563644758 /nfs/dbraw/zinc/64/47/58/563644758.db2.gz JOGOJDAYENVHIR-QMTMVMCOSA-N -1 0 339.822 5.173 50 10 EKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 ZINC000004363090 563501506 /nfs/dbraw/zinc/50/15/06/563501506.db2.gz VBRRXVCEHHNNNO-BWACUDIHSA-N -1 0 343.785 5.004 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000004363101 201597969 /nfs/dbraw/zinc/59/79/69/201597969.db2.gz WXIRCBZZMUKHCZ-VKJFTORMSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004561451 564111694 /nfs/dbraw/zinc/11/16/94/564111694.db2.gz ZQUSXLXQKOEONP-CKFHNAJUSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004561453 564111683 /nfs/dbraw/zinc/11/16/83/564111683.db2.gz ZQUSXLXQKOEONP-IQUTYRLHSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000004561454 564111682 /nfs/dbraw/zinc/11/16/82/564111682.db2.gz ZQUSXLXQKOEONP-BIENJYKASA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000004561456 564111707 /nfs/dbraw/zinc/11/17/07/564111707.db2.gz ZQUSXLXQKOEONP-PJIJBLCYSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004690188 563964435 /nfs/dbraw/zinc/96/44/35/563964435.db2.gz XYISEQVAWNYYNK-YZVOILCLSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004690191 210248797 /nfs/dbraw/zinc/24/87/97/210248797.db2.gz XYISEQVAWNYYNK-QMTMVMCOSA-N -1 0 339.822 5.173 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 ZINC000004727550 210261834 /nfs/dbraw/zinc/26/18/34/210261834.db2.gz XORRMCWMRYNNOM-VGTOOOLASA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004764016 210274358 /nfs/dbraw/zinc/27/43/58/210274358.db2.gz GVJYWFZLMDJIMA-GHVJWSGMSA-N -1 0 345.358 5.053 50 10 EKCARM Cc1ccc(Cl)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000005578560 563541012 /nfs/dbraw/zinc/54/10/12/563541012.db2.gz JOGOJDAYENVHIR-ZRGWGRIASA-N -1 0 339.822 5.173 50 10 EKCARM Cc1nc2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2s1 ZINC000005753274 563549106 /nfs/dbraw/zinc/54/91/06/563549106.db2.gz ZFOHANXHGJFBTK-QZQOTICOSA-N -1 0 349.419 5.220 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000006275633 563981468 /nfs/dbraw/zinc/98/14/68/563981468.db2.gz ORPLRCWQJZYHQC-DXIQSLLYSA-N -1 0 347.458 5.643 50 10 EKCARM Cc1c(Cl)c(-c2sc3ncccc3c2[O-])nc2ccccc12 ZINC000006590013 564092425 /nfs/dbraw/zinc/09/24/25/564092425.db2.gz QFJKZXXZXOMXNJ-UHFFFAOYSA-N -1 0 326.808 5.179 50 10 EKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000006721372 210690495 /nfs/dbraw/zinc/69/04/95/210690495.db2.gz LZPULCMYARCGBK-YZVOILCLSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000006721373 210690806 /nfs/dbraw/zinc/69/08/06/210690806.db2.gz LZPULCMYARCGBK-QMTMVMCOSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000006721374 210690920 /nfs/dbraw/zinc/69/09/20/210690920.db2.gz LZPULCMYARCGBK-ZRGWGRIASA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000006721375 201692891 /nfs/dbraw/zinc/69/28/91/201692891.db2.gz LZPULCMYARCGBK-SPYBWZPUSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000012628209 563665773 /nfs/dbraw/zinc/66/57/73/563665773.db2.gz XYISEQVAWNYYNK-ZRGWGRIASA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000012628212 563665607 /nfs/dbraw/zinc/66/56/07/563665607.db2.gz XYISEQVAWNYYNK-SPYBWZPUSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1ccc(Cl)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389535 211552935 /nfs/dbraw/zinc/55/29/35/211552935.db2.gz JOGOJDAYENVHIR-SPYBWZPUSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000013465919 563698848 /nfs/dbraw/zinc/69/88/48/563698848.db2.gz SMOYLVHTNURGKS-FMQUCBEESA-N -1 0 347.205 5.609 50 10 EKCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000013469079 563699076 /nfs/dbraw/zinc/69/90/76/563699076.db2.gz WERDTAIETNRFAA-VXPUYCOJSA-N -1 0 347.205 5.609 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000015227919 564125084 /nfs/dbraw/zinc/12/50/84/564125084.db2.gz ORPLRCWQJZYHQC-KNKQGSTJSA-N -1 0 347.458 5.643 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 ZINC000015227922 564125070 /nfs/dbraw/zinc/12/50/70/564125070.db2.gz ORPLRCWQJZYHQC-JQVVWYNYSA-N -1 0 347.458 5.643 50 10 EKCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020033407 212095348 /nfs/dbraw/zinc/09/53/48/212095348.db2.gz AFQXAOUQZPFYDQ-OPYAIIAOSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000020059025 202030003 /nfs/dbraw/zinc/03/00/03/202030003.db2.gz DARCHSDNEVZDJJ-WSTZPKSXSA-N -1 0 333.431 5.335 50 10 EKCARM CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000020059027 212098602 /nfs/dbraw/zinc/09/86/02/212098602.db2.gz DARCHSDNEVZDJJ-QWFCFKBJSA-N -1 0 333.431 5.335 50 10 EKCARM O=C([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020864483 212178990 /nfs/dbraw/zinc/17/89/90/212178990.db2.gz SIIIJDJTXNJBIP-UHFFFAOYSA-N -1 0 331.415 5.111 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 ZINC000032121315 212791282 /nfs/dbraw/zinc/79/12/82/212791282.db2.gz WXIRCBZZMUKHCZ-RKVPGOIHSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1 ZINC000032121319 564063341 /nfs/dbraw/zinc/06/33/41/564063341.db2.gz WXIRCBZZMUKHCZ-DAYGRLMNSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)c1 ZINC000032189218 202223287 /nfs/dbraw/zinc/22/32/87/202223287.db2.gz IZUOHUNJPKZQET-LBTNJELSSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)c1 ZINC000032189221 202222740 /nfs/dbraw/zinc/22/27/40/202222740.db2.gz IZUOHUNJPKZQET-IYOUNJFTSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21 ZINC000033694970 202268706 /nfs/dbraw/zinc/26/87/06/202268706.db2.gz ORPLRCWQJZYHQC-IPJJNNNSSA-N -1 0 347.458 5.643 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 ZINC000033786748 563994317 /nfs/dbraw/zinc/99/43/17/563994317.db2.gz WXIRCBZZMUKHCZ-MPGHIAIKSA-N -1 0 339.822 5.173 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1 ZINC000037613803 213160516 /nfs/dbraw/zinc/16/05/16/213160516.db2.gz IZUOHUNJPKZQET-GLJUWKHASA-N -1 0 339.822 5.173 50 10 EKCARM Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)c1 ZINC000038568652 564165191 /nfs/dbraw/zinc/16/51/91/564165191.db2.gz IZUOHUNJPKZQET-DEYYWGMASA-N -1 0 339.822 5.173 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000043769618 564087440 /nfs/dbraw/zinc/08/74/40/564087440.db2.gz XORRMCWMRYNNOM-AGKHESDQSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000043769692 563973198 /nfs/dbraw/zinc/97/31/98/563973198.db2.gz VBRRXVCEHHNNNO-QFSBIZTOSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 ZINC000059267085 214614604 /nfs/dbraw/zinc/61/46/04/214614604.db2.gz XORRMCWMRYNNOM-CZIZLABSSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 ZINC000059267087 563947830 /nfs/dbraw/zinc/94/78/30/563947830.db2.gz XIMHWDQOXFCVJX-XNJGSVPQSA-N -1 0 343.785 5.004 50 10 EKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc2ccccc21 ZINC000100478058 219100348 /nfs/dbraw/zinc/10/03/48/219100348.db2.gz PNVVRLSSCOPHGZ-QURGRASLSA-N -1 0 328.375 5.455 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000101124505 219116754 /nfs/dbraw/zinc/11/67/54/219116754.db2.gz GXVKXTHXJJXWEO-JUXOCIIHSA-N -1 0 341.410 5.365 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(F)cccc1Cl)N2 ZINC000101947574 219174616 /nfs/dbraw/zinc/17/46/16/219174616.db2.gz SCUOKCBFDYYYOU-SEDUGSJDSA-N -1 0 343.785 5.004 50 10 EKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000102268757 219192946 /nfs/dbraw/zinc/19/29/46/219192946.db2.gz ZNCVEXVFJAJCAD-QURGRASLSA-N -1 0 328.375 5.455 50 10 EKCARM Cc1[n-]n2c(nc(C)c(N=Nc3ccccc3)c2=O)c1-c1ccccc1 ZINC000102837762 219235104 /nfs/dbraw/zinc/23/51/04/219235104.db2.gz PBFIGZAZUCCSCT-GHVJWSGMSA-N -1 0 343.390 5.134 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 ZINC000103558665 219313347 /nfs/dbraw/zinc/31/33/47/219313347.db2.gz XIMHWDQOXFCVJX-IIYDPXPESA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 ZINC000111441588 220155331 /nfs/dbraw/zinc/15/53/31/220155331.db2.gz VBRRXVCEHHNNNO-PSTGCABASA-N -1 0 343.785 5.004 50 10 EKCARM Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000111441603 220155265 /nfs/dbraw/zinc/15/52/65/220155265.db2.gz LPMBESPHZMRLCH-GPMSIDNRSA-N -1 0 339.822 5.173 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000111442383 204357495 /nfs/dbraw/zinc/35/74/95/204357495.db2.gz GXVKXTHXJJXWEO-SFGWALBWSA-N -1 0 341.410 5.365 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000111442385 220154688 /nfs/dbraw/zinc/15/46/88/220154688.db2.gz GXVKXTHXJJXWEO-ZWCUEREDSA-N -1 0 341.410 5.365 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 ZINC000111478886 220160680 /nfs/dbraw/zinc/16/06/80/220160680.db2.gz XORRMCWMRYNNOM-RLFDGXBXSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 ZINC000111478938 220159861 /nfs/dbraw/zinc/15/98/61/220159861.db2.gz XIMHWDQOXFCVJX-PBFPGSCMSA-N -1 0 343.785 5.004 50 10 EKCARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 ZINC000169617884 564096685 /nfs/dbraw/zinc/09/66/85/564096685.db2.gz VBRRXVCEHHNNNO-PEBVRCNWSA-N -1 0 343.785 5.004 50 10 EKCARM CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000201987691 241041115 /nfs/dbraw/zinc/04/11/15/241041115.db2.gz RWGOYNCGDIHCFK-LVCYWYKZSA-N -1 0 333.431 5.335 50 10 EKCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000222464826 564036861 /nfs/dbraw/zinc/03/68/61/564036861.db2.gz SCUOKCBFDYYYOU-FMTVUPSXSA-N -1 0 343.785 5.004 50 10 EKCARM Cc1nc2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2s1 ZINC000252641796 564124756 /nfs/dbraw/zinc/12/47/56/564124756.db2.gz ZFOHANXHGJFBTK-UHFFFAOYSA-N -1 0 349.419 5.220 50 10 EKCARM