smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000004123725	181076646	/nfs/dbraw/zinc/07/66/46/181076646.db2.gz	KGUUTDNUDFPRBO-NJSLBKSFSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004959574	181179953	/nfs/dbraw/zinc/17/99/53/181179953.db2.gz	SCALKYQRNSCLNJ-AYBZRNKSSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)c1	ZINC000000037738	180674573	/nfs/dbraw/zinc/67/45/73/180674573.db2.gz	QSNQXUNZBMYAMH-UHFFFAOYSA-N	-1	0	311.406	4.531	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000004030037	181064571	/nfs/dbraw/zinc/06/45/71/181064571.db2.gz	FEAVRUBFRJIVQG-QHRIQVFBSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000096316070	193613326	/nfs/dbraw/zinc/61/33/26/193613326.db2.gz	MPJSOBZFPORMCY-FMQUCBEESA-N	-1	0	306.321	4.967	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409150982	257221990	/nfs/dbraw/zinc/22/19/90/257221990.db2.gz	FSQNGDOCRZYRQM-SIFCLUCFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cc(C)cc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000408947504	257225151	/nfs/dbraw/zinc/22/51/51/257225151.db2.gz	NTNHXYOOWVFPRY-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000096006218	563531663	/nfs/dbraw/zinc/53/16/63/563531663.db2.gz	FEAVRUBFRJIVQG-VLXJIEOASA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000004030034	181064513	/nfs/dbraw/zinc/06/45/13/181064513.db2.gz	HZXHOGSFVMQWDZ-VCBZYWHSSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000006546325	181352368	/nfs/dbraw/zinc/35/23/68/181352368.db2.gz	FEAVRUBFRJIVQG-XEKQOVJPSA-N	-1	0	323.367	4.659	40	10		DJCBRM
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409161402	257222004	/nfs/dbraw/zinc/22/20/04/257222004.db2.gz	UORVNYQSQQOCFW-SIFCLUCFSA-N	-1	0	319.404	4.774	40	10		DJCBRM
O=C([O-])[C@@H](Nc1ccc(Nc2ccccc2)cc1)c1ccccc1	ZINC000005593542	331492151	/nfs/dbraw/zinc/49/21/51/331492151.db2.gz	CHVAKTKXWMQPKW-IBGZPJMESA-N	-1	0	318.376	4.668	40	10		DJCBRM
O=C([O-])C1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000070462745	563813149	/nfs/dbraw/zinc/81/31/49/563813149.db2.gz	WJDBUVLMQYZYHD-WUKNDPDISA-N	-1	0	311.124	4.813	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409174555	257221186	/nfs/dbraw/zinc/22/11/86/257221186.db2.gz	NNUHMHNKYZXHLH-SPYBWZPUSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409152343	257222035	/nfs/dbraw/zinc/22/20/35/257222035.db2.gz	DZZJDJHSANKVNI-SXGZJXTBSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408861607	257226132	/nfs/dbraw/zinc/22/61/32/257226132.db2.gz	DKMFBCQLMVZCEZ-UWVAXJGDSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000036080989	563924440	/nfs/dbraw/zinc/92/44/40/563924440.db2.gz	PFLUUTNAKZWCLL-GJYPPUQNSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc([C@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000000359350	190613527	/nfs/dbraw/zinc/61/35/27/190613527.db2.gz	QYCOXSOPVQBWGK-TWOQFEAHSA-N	-1	0	319.404	4.828	40	10		DJCBRM
CCc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409171112	257221821	/nfs/dbraw/zinc/22/18/21/257221821.db2.gz	YDSJQAIWFJANLN-NBQZKYEYSA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1cc(C)c2c(c1)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004151382	563622979	/nfs/dbraw/zinc/62/29/79/563622979.db2.gz	CCGQZCZMAOQAAK-QKLQHJQFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000111441684	563650106	/nfs/dbraw/zinc/65/01/06/563650106.db2.gz	KGUUTDNUDFPRBO-LPMFXHHGSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000032121238	563768983	/nfs/dbraw/zinc/76/89/83/563768983.db2.gz	HZXHOGSFVMQWDZ-SPYBWZPUSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1c(Cl)cccc1NN=C1C=C(C)C(=O)C(C(=O)[O-])=C1	ZINC000070461943	563813221	/nfs/dbraw/zinc/81/32/21/563813221.db2.gz	SLXAFWFYYQNJHL-ISLYRVAYSA-N	-1	0	304.733	4.776	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000006546318	181352594	/nfs/dbraw/zinc/35/25/94/181352594.db2.gz	FEAVRUBFRJIVQG-QUJCMNEKSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c(C)c1	ZINC000408939808	257225410	/nfs/dbraw/zinc/22/54/10/257225410.db2.gz	BNLFATRCNBUMRP-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000000359348	563244138	/nfs/dbraw/zinc/24/41/38/563244138.db2.gz	HZXHOGSFVMQWDZ-ZRGWGRIASA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000000302509	563607712	/nfs/dbraw/zinc/60/77/12/563607712.db2.gz	SCALKYQRNSCLNJ-SUMDDJOVSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1cc(Cl)ccc1NN=C1C=C(C)C(=O)C(C(=O)[O-])=C1	ZINC000070461947	563812911	/nfs/dbraw/zinc/81/29/11/563812911.db2.gz	NUZOFNXOXFYMRE-ISLYRVAYSA-N	-1	0	304.733	4.776	40	10		DJCBRM
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409169077	257222025	/nfs/dbraw/zinc/22/20/25/257222025.db2.gz	PMPWNXTZBCOVFP-SXGZJXTBSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc(C)c(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000408944274	257225141	/nfs/dbraw/zinc/22/51/41/257225141.db2.gz	IXLSTSYHGLESLR-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140508	181078063	/nfs/dbraw/zinc/07/80/63/181078063.db2.gz	LDQLPRPWQWKHCD-HLIPFELVSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004140513	181078157	/nfs/dbraw/zinc/07/81/57/181078157.db2.gz	PTWQWLFQYBEVEG-QKLQHJQFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
CCc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004168291	181081319	/nfs/dbraw/zinc/08/13/19/181081319.db2.gz	NJDLNYNHYLVXMR-QKLQHJQFSA-N	-1	0	319.404	4.774	40	10		DJCBRM
CCc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409171115	257221609	/nfs/dbraw/zinc/22/16/09/257221609.db2.gz	YDSJQAIWFJANLN-UVFQYZLESA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000409160200	257221632	/nfs/dbraw/zinc/22/16/32/257221632.db2.gz	WHWSAJMMWZCNTR-AVYPCKFXSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409160209	257221792	/nfs/dbraw/zinc/22/17/92/257221792.db2.gz	WHWSAJMMWZCNTR-SXGZJXTBSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409151146	257221972	/nfs/dbraw/zinc/22/19/72/257221972.db2.gz	GLPHKBXBGJWGOG-TYILLQQXSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	ZINC000409152755	257222059	/nfs/dbraw/zinc/22/20/59/257222059.db2.gz	LEXLWFFOUXASJD-GPMSIDNRSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C)c2)cc1	ZINC000408940120	257225120	/nfs/dbraw/zinc/22/51/20/257225120.db2.gz	BVAYSLQFKIXLCV-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
O=C([O-])[C@H](Nc1ccc(Nc2ccccc2)cc1)c1ccccc1	ZINC000001735570	563294665	/nfs/dbraw/zinc/29/46/65/563294665.db2.gz	CHVAKTKXWMQPKW-LJQANCHMSA-N	-1	0	318.376	4.668	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000013389517	563909617	/nfs/dbraw/zinc/90/96/17/563909617.db2.gz	PTWQWLFQYBEVEG-MBOZVWFJSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000004123726	181076608	/nfs/dbraw/zinc/07/66/08/181076608.db2.gz	KGUUTDNUDFPRBO-CKFHNAJUSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000409174556	257221209	/nfs/dbraw/zinc/22/12/09/257221209.db2.gz	NNUHMHNKYZXHLH-ZRGWGRIASA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409170478	257221680	/nfs/dbraw/zinc/22/16/80/257221680.db2.gz	UYIQAXSHTDISJI-RFUYNDQBSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1C	ZINC000408945091	257225152	/nfs/dbraw/zinc/22/51/52/257225152.db2.gz	KCACSRGADCVVGB-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
CCc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000004172106	181082134	/nfs/dbraw/zinc/08/21/34/181082134.db2.gz	BDICVPOUDKGURW-QRFRQXIXSA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000006546313	181352413	/nfs/dbraw/zinc/35/24/13/181352413.db2.gz	FEAVRUBFRJIVQG-JMERFSKESA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409160207	257221701	/nfs/dbraw/zinc/22/17/01/257221701.db2.gz	WHWSAJMMWZCNTR-SIFCLUCFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1C	ZINC000408941627	257225112	/nfs/dbraw/zinc/22/51/12/257225112.db2.gz	DZJAUSYAIZTCQL-UHFFFAOYSA-N	-1	0	319.404	4.778	40	10		DJCBRM
CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000408949063	257225291	/nfs/dbraw/zinc/22/52/91/257225291.db2.gz	QHYBXKATFZYNTO-UHFFFAOYSA-N	-1	0	319.404	4.724	40	10		DJCBRM
Cc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000004172114	181081829	/nfs/dbraw/zinc/08/18/29/181081829.db2.gz	SOHPAIYAFCOCAX-UWVAXJGDSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004140510	181078024	/nfs/dbraw/zinc/07/80/24/181078024.db2.gz	PTWQWLFQYBEVEG-ABSDTBQOSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000000082801	563628813	/nfs/dbraw/zinc/62/88/13/563628813.db2.gz	KGUUTDNUDFPRBO-TYILLQQXSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1Cl	ZINC000070461946	190898952	/nfs/dbraw/zinc/89/89/52/190898952.db2.gz	DDLIMORXJVUFHM-ISLYRVAYSA-N	-1	0	304.733	4.776	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140509	181078142	/nfs/dbraw/zinc/07/81/42/181078142.db2.gz	LDQLPRPWQWKHCD-QKLQHJQFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
CCc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004168294	181081082	/nfs/dbraw/zinc/08/10/82/181081082.db2.gz	NJDLNYNHYLVXMR-ZWOKBUDYSA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000005811831	181285665	/nfs/dbraw/zinc/28/56/65/181285665.db2.gz	LDQLPRPWQWKHCD-MBOZVWFJSA-N	-1	0	319.404	4.828	40	10		DJCBRM
O=C1C(=C[O-])c2ccccc2N1c1c(Cl)cccc1Cl	ZINC000100114271	193795747	/nfs/dbraw/zinc/79/57/47/193795747.db2.gz	YJFIMCXUPYHVHX-NTMALXAHSA-N	-1	0	306.148	4.571	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	ZINC000409175446	257221037	/nfs/dbraw/zinc/22/10/37/257221037.db2.gz	RLZNBEGYISLJLI-SPYBWZPUSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000408869900	257225925	/nfs/dbraw/zinc/22/59/25/257225925.db2.gz	SQFRMOZTTHGJER-GJYPPUQNSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000000359349	190613700	/nfs/dbraw/zinc/61/37/00/190613700.db2.gz	FEAVRUBFRJIVQG-NQCMUKECSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004140511	181077855	/nfs/dbraw/zinc/07/78/55/181077855.db2.gz	PTWQWLFQYBEVEG-ZWOKBUDYSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140507	181078105	/nfs/dbraw/zinc/07/81/05/181078105.db2.gz	LDQLPRPWQWKHCD-ZWOKBUDYSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000006715051	181376047	/nfs/dbraw/zinc/37/60/47/181376047.db2.gz	HZXHOGSFVMQWDZ-QMTMVMCOSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409152340	257221677	/nfs/dbraw/zinc/22/16/77/257221677.db2.gz	DZZJDJHSANKVNI-SIFCLUCFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409150983	257221815	/nfs/dbraw/zinc/22/18/15/257221815.db2.gz	FSQNGDOCRZYRQM-SXGZJXTBSA-N	-1	0	319.404	4.828	40	10		DJCBRM
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409161403	257221946	/nfs/dbraw/zinc/22/19/46/257221946.db2.gz	UORVNYQSQQOCFW-SXGZJXTBSA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000409160204	257222044	/nfs/dbraw/zinc/22/20/44/257222044.db2.gz	WHWSAJMMWZCNTR-MDOVXXIYSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408736637	257227137	/nfs/dbraw/zinc/22/71/37/257227137.db2.gz	YJYKBXAPXXBDNN-GJYPPUQNSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc([C@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000038193395	563460179	/nfs/dbraw/zinc/46/01/79/563460179.db2.gz	QYCOXSOPVQBWGK-GQIGUUNPSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000004123727	181076559	/nfs/dbraw/zinc/07/65/59/181076559.db2.gz	KGUUTDNUDFPRBO-KSMMKXTCSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004639593	181131604	/nfs/dbraw/zinc/13/16/04/181131604.db2.gz	LDQLPRPWQWKHCD-FUHIMQAGSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409169075	257221907	/nfs/dbraw/zinc/22/19/07/257221907.db2.gz	PMPWNXTZBCOVFP-SIFCLUCFSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408736187	257227117	/nfs/dbraw/zinc/22/71/17/257227117.db2.gz	KJYILZSLDXJXRY-GQIGUUNPSA-N	-1	0	319.404	4.828	40	10		DJCBRM
CCc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000227234767	340596639	/nfs/dbraw/zinc/59/66/39/340596639.db2.gz	NJDLNYNHYLVXMR-UWVAXJGDSA-N	-1	0	319.404	4.774	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000004123728	181076836	/nfs/dbraw/zinc/07/68/36/181076836.db2.gz	KGUUTDNUDFPRBO-IQUTYRLHSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004140512	181078249	/nfs/dbraw/zinc/07/82/49/181078249.db2.gz	PTWQWLFQYBEVEG-SQGPQFPESA-N	-1	0	319.404	4.828	40	10		DJCBRM
Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2C(=O)[O-])s1	ZINC000004830641	181158588	/nfs/dbraw/zinc/15/85/88/181158588.db2.gz	GOPCMSKLJOMTAR-FMQUCBEESA-N	-1	0	324.365	4.506	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000006715049	181375704	/nfs/dbraw/zinc/37/57/04/181375704.db2.gz	HZXHOGSFVMQWDZ-YZVOILCLSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	ZINC000409152762	257221659	/nfs/dbraw/zinc/22/16/59/257221659.db2.gz	LEXLWFFOUXASJD-JTDSTZFVSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409151144	257221927	/nfs/dbraw/zinc/22/19/27/257221927.db2.gz	GLPHKBXBGJWGOG-LPMFXHHGSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1cc(C)c2c(c1)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004151381	563622933	/nfs/dbraw/zinc/62/29/33/563622933.db2.gz	CCGQZCZMAOQAAK-ZWOKBUDYSA-N	-1	0	319.404	4.828	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000032121181	563769095	/nfs/dbraw/zinc/76/90/95/563769095.db2.gz	FEAVRUBFRJIVQG-VPZZIHKRSA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	ZINC000409175448	257221247	/nfs/dbraw/zinc/22/12/47/257221247.db2.gz	RLZNBEGYISLJLI-ZRGWGRIASA-N	-1	0	323.367	4.659	40	10		DJCBRM
Cc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409170476	257221906	/nfs/dbraw/zinc/22/19/06/257221906.db2.gz	UYIQAXSHTDISJI-OHNRDTAOSA-N	-1	0	305.377	4.520	40	10		DJCBRM
Cc1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000001461993	518190001	/nfs/dbraw/zinc/19/00/01/518190001.db2.gz	PTWQWLFQYBEVEG-FUHIMQAGSA-N	-1	0	319.404	4.828	40	10		DJCBRM