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](N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1[O-]	ZINC000170789274	332636442	/nfs/dbraw/zinc/63/64/42/332636442.db2.gz	KXPHTXDUVNGMIY-YJYMSZOUSA-N	-1	3	311.356	4.565	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@H](c2ccco2)c2ccccc2)c([O-])c1	ZINC000192790828	336261812	/nfs/dbraw/zinc/26/18/12/336261812.db2.gz	QPMHKELJTIUNJX-QRWLVFNGSA-N	-1	3	307.393	4.734	20	10		DJCDHM
Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)c([O-])c1	ZINC000359973274	337441080	/nfs/dbraw/zinc/44/10/80/337441080.db2.gz	KGLVRMSXPABTRL-HRAATJIYSA-N	-1	3	318.420	4.536	20	10		DJCDHM
Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(C)cc3[O-])co2)cc1	ZINC000273590157	130142340	/nfs/dbraw/zinc/14/23/40/130142340.db2.gz	OWMYOTNGQMYHCW-HNNXBMFYSA-N	-1	3	322.408	4.515	20	10		DJCDHM
CCc1nc([C@@H](C)N[C@H](CC)c2cccc(Cl)c2[O-])cs1	ZINC000287780388	131300089	/nfs/dbraw/zinc/30/00/89/131300089.db2.gz	SCYQRAZYOILROX-ZWNOBZJWSA-N	-1	3	324.877	4.866	20	10		DJCDHM
Cc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1-c1ncco1	ZINC000186478794	337256485	/nfs/dbraw/zinc/25/64/85/337256485.db2.gz	FMJCCYHFTSUONL-LBPRGKRZSA-N	-1	3	312.344	4.668	20	10		DJCDHM
CC[C@H](NCc1nc(C(C)C)cs1)c1cccc(Cl)c1[O-]	ZINC000287795741	131300369	/nfs/dbraw/zinc/30/03/69/131300369.db2.gz	TVSWXSDIYCHMSE-ZDUSSCGKSA-N	-1	3	324.877	4.866	20	10		DJCDHM
CC[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1[O-]	ZINC000192791048	336261764	/nfs/dbraw/zinc/26/17/64/336261764.db2.gz	OPLLKQCSVUSTRG-PXNSSMCTSA-N	-1	3	307.393	4.816	20	10		DJCDHM
CC[C@@H](NCc1nc(C(C)C)cs1)c1cccc(Cl)c1[O-]	ZINC000287795740	535806409	/nfs/dbraw/zinc/80/64/09/535806409.db2.gz	TVSWXSDIYCHMSE-CYBMUJFWSA-N	-1	3	324.877	4.866	20	10		DJCDHM
CC[C@H](NCc1ccco1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000287092042	131263592	/nfs/dbraw/zinc/26/35/92/131263592.db2.gz	WEYJFYJWSVUDLZ-ZDUSSCGKSA-N	-1	3	300.185	4.533	20	10		DJCDHM
[O-]c1c(Cl)cccc1CN[C@@H](c1ccco1)c1ccccc1	ZINC000181029714	333029535	/nfs/dbraw/zinc/02/95/35/333029535.db2.gz	LAXHPDPGDHMSED-QGZVFWFLSA-N	-1	3	313.784	4.518	20	10		DJCDHM
Cc1cccc([C@H](N[C@@H](C)c2ccccc2[O-])c2ccccn2)c1	ZINC000183633895	337193936	/nfs/dbraw/zinc/19/39/36/337193936.db2.gz	NCNOMLASVQEHGH-KKSFZXQISA-N	-1	3	318.420	4.536	20	10		DJCDHM
C[C@H](Nc1cccc(C2CCOCC2)c1)c1cc(F)ccc1[O-]	ZINC000527997156	337778854	/nfs/dbraw/zinc/77/88/54/337778854.db2.gz	VZENBDQKUHZFAJ-ZDUSSCGKSA-N	-1	3	315.388	4.598	20	10		DJCDHM
C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cccnc1	ZINC000192609182	525528985	/nfs/dbraw/zinc/52/89/85/525528985.db2.gz	ZVGXLNLJLIPFIS-UWVGGRQHSA-N	-1	3	311.212	4.506	20	10		DJCDHM
C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1cc(F)ccc1[O-]	ZINC000176983638	332966978	/nfs/dbraw/zinc/96/69/78/332966978.db2.gz	XOPJQOHSQUDPBS-ORAYPTAESA-N	-1	3	311.356	4.565	20	10		DJCDHM
Cc1ccc([C@H](C)N[C@H](c2ccco2)c2ccccc2)c([O-])c1	ZINC000192790845	336261742	/nfs/dbraw/zinc/26/17/42/336261742.db2.gz	QPMHKELJTIUNJX-YWZLYKJASA-N	-1	3	307.393	4.734	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@@H](c2nccs2)c2ccccc2)c([O-])c1	ZINC000185235424	337203647	/nfs/dbraw/zinc/20/36/47/337203647.db2.gz	FMVGXCRXQDFHSL-RDTXWAMCSA-N	-1	3	324.449	4.597	20	10		DJCDHM
Cc1ccc(N[C@H](C)c2cc(F)ccc2[O-])cc1-c1ncco1	ZINC000186479061	337256515	/nfs/dbraw/zinc/25/65/15/337256515.db2.gz	YWNGJKRQZYRWCE-GFCCVEGCSA-N	-1	3	312.344	4.668	20	10		DJCDHM
CC[C@@H](NCc1nc(C2CC2)cs1)c1cccc(Cl)c1[O-]	ZINC000287552422	535806400	/nfs/dbraw/zinc/80/64/00/535806400.db2.gz	FSDJJMMIQRTMAS-CYBMUJFWSA-N	-1	3	322.861	4.620	20	10		DJCDHM
Cc1ccc(-c2nc(CN[C@H](C)c3ccc(C)cc3[O-])co2)cc1	ZINC000273590168	130141681	/nfs/dbraw/zinc/14/16/81/130141681.db2.gz	OWMYOTNGQMYHCW-OAHLLOKOSA-N	-1	3	322.408	4.515	20	10		DJCDHM
CCc1nc([C@H](C)N[C@H](CC)c2cccc(Cl)c2[O-])cs1	ZINC000287780381	131299468	/nfs/dbraw/zinc/29/94/68/131299468.db2.gz	SCYQRAZYOILROX-GXFFZTMASA-N	-1	3	324.877	4.866	20	10		DJCDHM
CC[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1[O-]	ZINC000192791088	336261774	/nfs/dbraw/zinc/26/17/74/336261774.db2.gz	OPLLKQCSVUSTRG-YLJYHZDGSA-N	-1	3	307.393	4.816	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2ccccn2)c([O-])c1	ZINC000359973275	337441179	/nfs/dbraw/zinc/44/11/79/337441179.db2.gz	KGLVRMSXPABTRL-IERDGZPVSA-N	-1	3	318.420	4.536	20	10		DJCDHM
CC[C@H](NCc1ccoc1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000287809303	131301451	/nfs/dbraw/zinc/30/14/51/131301451.db2.gz	UOVPPWSAURAEKO-ZDUSSCGKSA-N	-1	3	300.185	4.533	20	10		DJCDHM
Cc1ccc([C@H](C)N[C@@H](c2nccs2)c2ccccc2)c([O-])c1	ZINC000185235444	337203524	/nfs/dbraw/zinc/20/35/24/337203524.db2.gz	FMVGXCRXQDFHSL-KBXCAEBGSA-N	-1	3	324.449	4.597	20	10		DJCDHM
C[C@H](Nc1cccc(C2CCOCC2)c1)c1ccc(F)cc1[O-]	ZINC000527997544	337778875	/nfs/dbraw/zinc/77/88/75/337778875.db2.gz	XTOUFDQAPCJMRX-ZDUSSCGKSA-N	-1	3	315.388	4.598	20	10		DJCDHM
C[C@@H](Nc1cccc(C2CCOCC2)c1)c1cc(F)ccc1[O-]	ZINC000527997153	337778880	/nfs/dbraw/zinc/77/88/80/337778880.db2.gz	VZENBDQKUHZFAJ-CYBMUJFWSA-N	-1	3	315.388	4.598	20	10		DJCDHM
CC[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-]	ZINC000286217707	535806373	/nfs/dbraw/zinc/80/63/73/535806373.db2.gz	SGXCLKKCQJXCBS-CYBMUJFWSA-N	-1	3	322.449	4.526	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)c([O-])c1	ZINC000192790857	336261843	/nfs/dbraw/zinc/26/18/43/336261843.db2.gz	QPMHKELJTIUNJX-FOIQADDNSA-N	-1	3	307.393	4.734	20	10		DJCDHM
[O-]c1c(Cl)cccc1CN[C@H]1CCSc2ccc(F)cc21	ZINC000158088546	526329454	/nfs/dbraw/zinc/32/94/54/526329454.db2.gz	BQTPFLMBFIWRRO-AWEZNQCLSA-N	-1	3	323.820	4.511	20	10		DJCDHM
CC[C@H](NCc1nc(C2CC2)cs1)c1cccc(Cl)c1[O-]	ZINC000287552429	131286795	/nfs/dbraw/zinc/28/67/95/131286795.db2.gz	FSDJJMMIQRTMAS-ZDUSSCGKSA-N	-1	3	322.861	4.620	20	10		DJCDHM
CC[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1[O-]	ZINC000192791063	336261767	/nfs/dbraw/zinc/26/17/67/336261767.db2.gz	OPLLKQCSVUSTRG-XLIONFOSSA-N	-1	3	307.393	4.816	20	10		DJCDHM
Cc1ccc([C@H](C)N[C@@H](c2ccco2)c2ccccc2)c([O-])c1	ZINC000192790874	336261785	/nfs/dbraw/zinc/26/17/85/336261785.db2.gz	QPMHKELJTIUNJX-MGPUTAFESA-N	-1	3	307.393	4.734	20	10		DJCDHM
CCC(CC)c1cc(CN[C@H](CC)c2ccc(F)cc2[O-])on1	ZINC000286071467	131217864	/nfs/dbraw/zinc/21/78/64/131217864.db2.gz	LXQANAVKIDQASS-MRXNPFEDSA-N	-1	3	320.408	4.664	20	10		DJCDHM
CCC(CC)c1cc(CN[C@@H](CC)c2ccc(F)cc2[O-])on1	ZINC000286071465	131218264	/nfs/dbraw/zinc/21/82/64/131218264.db2.gz	LXQANAVKIDQASS-INIZCTEOSA-N	-1	3	320.408	4.664	20	10		DJCDHM
CCc1nc([C@@H](C)N[C@@H](CC)c2cccc(Cl)c2[O-])cs1	ZINC000287780385	131299631	/nfs/dbraw/zinc/29/96/31/131299631.db2.gz	SCYQRAZYOILROX-MFKMUULPSA-N	-1	3	324.877	4.866	20	10		DJCDHM
Cc1cccc([C@@H](N[C@@H](C)c2ccccc2[O-])c2ccccn2)c1	ZINC000183633914	337193942	/nfs/dbraw/zinc/19/39/42/337193942.db2.gz	NCNOMLASVQEHGH-HRAATJIYSA-N	-1	3	318.420	4.536	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@H](c2nccs2)c2ccccc2)c([O-])c1	ZINC000185235389	337203528	/nfs/dbraw/zinc/20/35/28/337203528.db2.gz	FMVGXCRXQDFHSL-KDOFPFPSSA-N	-1	3	324.449	4.597	20	10		DJCDHM
Cc1ccc([C@H](C)N[C@H](c2nccs2)c2ccccc2)c([O-])c1	ZINC000185235408	337203534	/nfs/dbraw/zinc/20/35/34/337203534.db2.gz	FMVGXCRXQDFHSL-KSSFIOAISA-N	-1	3	324.449	4.597	20	10		DJCDHM
Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1-c1ncco1	ZINC000186478811	337256557	/nfs/dbraw/zinc/25/65/57/337256557.db2.gz	FMJCCYHFTSUONL-GFCCVEGCSA-N	-1	3	312.344	4.668	20	10		DJCDHM
[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccc1Cl	ZINC000020545080	182229333	/nfs/dbraw/zinc/22/93/33/182229333.db2.gz	SOQZKYAFFJNXDJ-UHFFFAOYSA-N	-1	3	316.615	4.642	20	10		DJCDHM
CC[C@@H](NCc1ccco1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000287092039	131264118	/nfs/dbraw/zinc/26/41/18/131264118.db2.gz	WEYJFYJWSVUDLZ-CYBMUJFWSA-N	-1	3	300.185	4.533	20	10		DJCDHM
CCc1nc([C@H](C)N[C@@H](CC)c2cccc(Cl)c2[O-])cs1	ZINC000287780378	131299905	/nfs/dbraw/zinc/29/99/05/131299905.db2.gz	SCYQRAZYOILROX-GWCFXTLKSA-N	-1	3	324.877	4.866	20	10		DJCDHM
Cc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])cc1-c1ncco1	ZINC000186479046	337256572	/nfs/dbraw/zinc/25/65/72/337256572.db2.gz	YWNGJKRQZYRWCE-LBPRGKRZSA-N	-1	3	312.344	4.668	20	10		DJCDHM
CC[C@H](NCc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-]	ZINC000286217714	131225071	/nfs/dbraw/zinc/22/50/71/131225071.db2.gz	SGXCLKKCQJXCBS-ZDUSSCGKSA-N	-1	3	322.449	4.526	20	10		DJCDHM
CC[C@@H](NCc1ccoc1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000287809292	131301660	/nfs/dbraw/zinc/30/16/60/131301660.db2.gz	UOVPPWSAURAEKO-CYBMUJFWSA-N	-1	3	300.185	4.533	20	10		DJCDHM
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2ccccn2)c([O-])c1	ZINC000359973276	337441239	/nfs/dbraw/zinc/44/12/39/337441239.db2.gz	KGLVRMSXPABTRL-IIBYNOLFSA-N	-1	3	318.420	4.536	20	10		DJCDHM
Cc1csc(C2(N[C@H](C)c3cc(Cl)ccc3[O-])CCC2)n1	ZINC000273528106	130132479	/nfs/dbraw/zinc/13/24/79/130132479.db2.gz	VTLONTXBLSBTJE-LLVKDONJSA-N	-1	3	322.861	4.541	20	10		DJCDHM
Cc1cccc([C@@H](N[C@H](C)c2ccccc2[O-])c2ccccn2)c1	ZINC000183633943	337193918	/nfs/dbraw/zinc/19/39/18/337193918.db2.gz	NCNOMLASVQEHGH-IIBYNOLFSA-N	-1	3	318.420	4.536	20	10		DJCDHM
[O-]c1c(Cl)cccc1CN[C@@H]1CCSc2ccc(F)cc21	ZINC000158088394	526330099	/nfs/dbraw/zinc/33/00/99/526330099.db2.gz	BQTPFLMBFIWRRO-CQSZACIVSA-N	-1	3	323.820	4.511	20	10		DJCDHM
Cc1csc(C2(N[C@@H](C)c3cc(Cl)ccc3[O-])CCC2)n1	ZINC000273528107	130132008	/nfs/dbraw/zinc/13/20/08/130132008.db2.gz	VTLONTXBLSBTJE-NSHDSACASA-N	-1	3	322.861	4.541	20	10		DJCDHM
C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1[O-]	ZINC000170789271	332636515	/nfs/dbraw/zinc/63/65/15/332636515.db2.gz	KXPHTXDUVNGMIY-DJJJIMSYSA-N	-1	3	311.356	4.565	20	10		DJCDHM
[O-]c1c(Cl)cccc1CN[C@H](c1ccco1)c1ccccc1	ZINC000181029696	333029554	/nfs/dbraw/zinc/02/95/54/333029554.db2.gz	LAXHPDPGDHMSED-KRWDZBQOSA-N	-1	3	313.784	4.518	20	10		DJCDHM
CC[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1[O-]	ZINC000192791077	336261874	/nfs/dbraw/zinc/26/18/74/336261874.db2.gz	OPLLKQCSVUSTRG-FXAWDEMLSA-N	-1	3	307.393	4.816	20	10		DJCDHM
Cc1cccc([C@H](N[C@H](C)c2ccccc2[O-])c2ccccn2)c1	ZINC000183633929	337193910	/nfs/dbraw/zinc/19/39/10/337193910.db2.gz	NCNOMLASVQEHGH-IERDGZPVSA-N	-1	3	318.420	4.536	20	10		DJCDHM