smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H](C)NCc2coc(-c3ccccc3)n2)c(O)c1C	ZINC000273365378	130112772	/nfs/dbraw/zinc/11/27/72/130112772.db2.gz	BELQGXQEURMDQK-OAHLLOKOSA-N	0	1	322.408	4.515	20	10		DJCDMN
Cc1ccc([C@@H](C)NCc2cc(-c3ccccc3)on2)c(O)c1C	ZINC000273582535	130140409	/nfs/dbraw/zinc/14/04/09/130140409.db2.gz	NBDFVEJTVQWPAJ-OAHLLOKOSA-N	0	1	322.408	4.515	20	10		DJCDMN
CCc1nc([C@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)cs1	ZINC000162351679	332935347	/nfs/dbraw/zinc/93/53/47/332935347.db2.gz	PTCDXZWOCYKWHM-XJKSGUPXSA-N	0	1	317.502	4.573	20	10		DJCDMN
Cc1ccc([C@@H](C)N[C@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790828	336261811	/nfs/dbraw/zinc/26/18/11/336261811.db2.gz	QPMHKELJTIUNJX-QRWLVFNGSA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1ccc(O)c([C@H](C)N[C@H](c2ccco2)c2ccccc2)c1	ZINC000192791654	336262012	/nfs/dbraw/zinc/26/20/12/336262012.db2.gz	YNGKSNGETCAQMW-YWZLYKJASA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)c(O)c1	ZINC000359973274	337441079	/nfs/dbraw/zinc/44/10/79/337441079.db2.gz	KGLVRMSXPABTRL-HRAATJIYSA-N	0	1	318.420	4.536	20	10		DJCDMN
Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(C)cc3O)co2)cc1	ZINC000273590157	130142338	/nfs/dbraw/zinc/14/23/38/130142338.db2.gz	OWMYOTNGQMYHCW-HNNXBMFYSA-N	0	1	322.408	4.515	20	10		DJCDMN
CC[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791048	336261763	/nfs/dbraw/zinc/26/17/63/336261763.db2.gz	OPLLKQCSVUSTRG-PXNSSMCTSA-N	0	1	307.393	4.816	20	10		DJCDMN
Cc1ccc([C@H](C)NCc2coc(-c3ccccc3)n2)c(O)c1C	ZINC000273365374	130112151	/nfs/dbraw/zinc/11/21/51/130112151.db2.gz	BELQGXQEURMDQK-HNNXBMFYSA-N	0	1	322.408	4.515	20	10		DJCDMN
Cc1cccc([C@H](N[C@@H](C)c2ccccc2O)c2ccccn2)c1	ZINC000183633895	337193935	/nfs/dbraw/zinc/19/39/35/337193935.db2.gz	NCNOMLASVQEHGH-KKSFZXQISA-N	0	1	318.420	4.536	20	10		DJCDMN
C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cc(Cl)ccc1[O-]	ZINC000527964372	337780621	/nfs/dbraw/zinc/78/06/21/337780621.db2.gz	KFILTSRFHVILQH-KPZWWZAWSA-N	0	1	316.832	4.633	20	10		DJCDMN
C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1cc(F)ccc1O	ZINC000176983638	332966977	/nfs/dbraw/zinc/96/69/77/332966977.db2.gz	XOPJQOHSQUDPBS-ORAYPTAESA-N	0	1	311.356	4.565	20	10		DJCDMN
Cc1ccc([C@H](C)N[C@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790845	336261741	/nfs/dbraw/zinc/26/17/41/336261741.db2.gz	QPMHKELJTIUNJX-YWZLYKJASA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1c2ccccc2n(C)c1CN[C@H](C)c1cccc(F)c1F	ZINC000479441373	339535121	/nfs/dbraw/zinc/53/51/21/339535121.db2.gz	VMHLSOIAOJUFIV-CYBMUJFWSA-N	0	1	314.379	4.616	20	10		DJCDMN
Cc1csc(C2(N[C@H](C)c3ccc(C)c(C)c3O)CCC2)n1	ZINC000273497170	130129741	/nfs/dbraw/zinc/12/97/41/130129741.db2.gz	PJHOTALCWWUYKG-CQSZACIVSA-N	0	1	316.470	4.504	20	10		DJCDMN
Cc1ccc(-c2nc(CN[C@H](C)c3ccc(C)cc3O)co2)cc1	ZINC000273590168	130141680	/nfs/dbraw/zinc/14/16/80/130141680.db2.gz	OWMYOTNGQMYHCW-OAHLLOKOSA-N	0	1	322.408	4.515	20	10		DJCDMN
CCC(CC)c1cc(CN[C@@H](C)c2c(C)cc(C)cc2O)on1	ZINC000283909686	131032958	/nfs/dbraw/zinc/03/29/58/131032958.db2.gz	DFRGIQIDEJWTAP-AWEZNQCLSA-N	0	1	316.445	4.751	20	10		DJCDMN
CC[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791088	336261773	/nfs/dbraw/zinc/26/17/73/336261773.db2.gz	OPLLKQCSVUSTRG-YLJYHZDGSA-N	0	1	307.393	4.816	20	10		DJCDMN
Cc1ccc(O)c([C@H](C)N[C@@H](c2ccco2)c2ccccc2)c1	ZINC000192791681	336261992	/nfs/dbraw/zinc/26/19/92/336261992.db2.gz	YNGKSNGETCAQMW-MGPUTAFESA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2ccccn2)c(O)c1	ZINC000359973275	337441178	/nfs/dbraw/zinc/44/11/78/337441178.db2.gz	KGLVRMSXPABTRL-IERDGZPVSA-N	0	1	318.420	4.536	20	10		DJCDMN
C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1[O-]	ZINC000185357286	333207517	/nfs/dbraw/zinc/20/75/17/333207517.db2.gz	NNWMSZZSGKWVMK-SNVBAGLBSA-N	0	1	311.759	4.834	20	10		DJCDMN
Cc1ccc(O)c([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)c1	ZINC000192791669	336261969	/nfs/dbraw/zinc/26/19/69/336261969.db2.gz	YNGKSNGETCAQMW-FOIQADDNSA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1c2ccccc2n(C)c1CNCc1ccc(F)cc1Cl	ZINC000475201872	339441456	/nfs/dbraw/zinc/44/14/56/339441456.db2.gz	HOCBVBYTENELMF-UHFFFAOYSA-N	0	1	316.807	4.569	20	10		DJCDMN
Cc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1F	ZINC000061117632	184161886	/nfs/dbraw/zinc/16/18/86/184161886.db2.gz	VGRNXGPQLDWSOU-UHFFFAOYSA-N	0	1	300.160	4.759	20	10		DJCDMN
Cc1csc(C2(N[C@@H](C)c3ccc(C)c(C)c3O)CCC2)n1	ZINC000273497166	130129682	/nfs/dbraw/zinc/12/96/82/130129682.db2.gz	PJHOTALCWWUYKG-AWEZNQCLSA-N	0	1	316.470	4.504	20	10		DJCDMN
Cc1ccc([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790857	336261842	/nfs/dbraw/zinc/26/18/42/336261842.db2.gz	QPMHKELJTIUNJX-FOIQADDNSA-N	0	1	307.393	4.734	20	10		DJCDMN
C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(Cl)ccc1[O-]	ZINC000527964376	337780519	/nfs/dbraw/zinc/78/05/19/337780519.db2.gz	KFILTSRFHVILQH-XIKOKIGWSA-N	0	1	316.832	4.633	20	10		DJCDMN
CC[C@H](NCc1nc(C(C)C)cs1)c1ccc(N(C)C)cc1	ZINC000128617130	522668137	/nfs/dbraw/zinc/66/81/37/522668137.db2.gz	DNBXSXIXHGEABU-INIZCTEOSA-N	0	1	317.502	4.573	20	10		DJCDMN
CC[C@@H](NCc1nc(C(C)C)cs1)c1ccc(N(C)C)cc1	ZINC000128617346	522893985	/nfs/dbraw/zinc/89/39/85/522893985.db2.gz	DNBXSXIXHGEABU-MRXNPFEDSA-N	0	1	317.502	4.573	20	10		DJCDMN
Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CCC2	ZINC000363863144	527108895	/nfs/dbraw/zinc/10/88/95/527108895.db2.gz	ASVPTRXXIAZSLI-ZANVPECISA-N	0	1	322.861	4.539	20	10		DJCDMN
CCC(CC)c1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)on1	ZINC000273621764	130146328	/nfs/dbraw/zinc/14/63/28/130146328.db2.gz	ZGXUSWMVIFFRNU-AWEZNQCLSA-N	0	1	316.445	4.751	20	10		DJCDMN
CC[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791063	336261766	/nfs/dbraw/zinc/26/17/66/336261766.db2.gz	OPLLKQCSVUSTRG-XLIONFOSSA-N	0	1	307.393	4.816	20	10		DJCDMN
Cc1ccc([C@H](C)N[C@@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790874	336261784	/nfs/dbraw/zinc/26/17/84/336261784.db2.gz	QPMHKELJTIUNJX-MGPUTAFESA-N	0	1	307.393	4.734	20	10		DJCDMN
CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1ccncc1	ZINC000185541287	522937519	/nfs/dbraw/zinc/93/75/19/522937519.db2.gz	OONFUGBVWIGVDP-AUUYWEPGSA-N	0	1	306.409	4.742	20	10		DJCDMN
Cc1ccc(-c2nc(CN[C@H](C)c3cc(C)ccc3O)co2)cc1	ZINC000273370073	130112143	/nfs/dbraw/zinc/11/21/43/130112143.db2.gz	CGNARHZLMPPGCX-OAHLLOKOSA-N	0	1	322.408	4.515	20	10		DJCDMN
Cc1ccc([C@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1C	ZINC000273549455	130135737	/nfs/dbraw/zinc/13/57/37/130135737.db2.gz	FRKLZZCYXJXXOA-ZDUSSCGKSA-N	0	1	318.486	4.614	20	10		DJCDMN
Cc1cccc([C@@H](N[C@@H](C)c2ccccc2O)c2ccccn2)c1	ZINC000183633914	337193941	/nfs/dbraw/zinc/19/39/41/337193941.db2.gz	NCNOMLASVQEHGH-HRAATJIYSA-N	0	1	318.420	4.536	20	10		DJCDMN
C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(Cl)ccc1[O-]	ZINC000527964374	337780592	/nfs/dbraw/zinc/78/05/92/337780592.db2.gz	KFILTSRFHVILQH-SGTLLEGYSA-N	0	1	316.832	4.633	20	10		DJCDMN
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1F	ZINC000021803917	182291138	/nfs/dbraw/zinc/29/11/38/182291138.db2.gz	QPLUJCOTNOLBBL-UHFFFAOYSA-N	0	1	300.160	4.759	20	10		DJCDMN
CCC(CC)c1cc(CN[C@H](C)c2ccc(C)c(C)c2O)on1	ZINC000273621766	130146776	/nfs/dbraw/zinc/14/67/76/130146776.db2.gz	ZGXUSWMVIFFRNU-CQSZACIVSA-N	0	1	316.445	4.751	20	10		DJCDMN
Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cccc(F)c1F	ZINC000479441376	339535111	/nfs/dbraw/zinc/53/51/11/339535111.db2.gz	VMHLSOIAOJUFIV-ZDUSSCGKSA-N	0	1	314.379	4.616	20	10		DJCDMN
Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C	ZINC000185457556	525556499	/nfs/dbraw/zinc/55/64/99/525556499.db2.gz	UOJCIDXCDOQMRI-SUMWQHHRSA-N	0	1	318.848	4.797	20	10		DJCDMN
CCC(CC)c1cc(CN[C@H](C)c2c(C)cc(C)cc2O)on1	ZINC000283909691	131033416	/nfs/dbraw/zinc/03/34/16/131033416.db2.gz	DFRGIQIDEJWTAP-CQSZACIVSA-N	0	1	316.445	4.751	20	10		DJCDMN
Cc1cc(C)c([C@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1	ZINC000284108145	131049159	/nfs/dbraw/zinc/04/91/59/131049159.db2.gz	NEJYWFJUGQBZKO-ZDUSSCGKSA-N	0	1	318.486	4.614	20	10		DJCDMN
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2ccccn2)c(O)c1	ZINC000359973276	337441238	/nfs/dbraw/zinc/44/12/38/337441238.db2.gz	KGLVRMSXPABTRL-IIBYNOLFSA-N	0	1	318.420	4.536	20	10		DJCDMN
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(F)c1	ZINC000020371609	182212627	/nfs/dbraw/zinc/21/26/27/182212627.db2.gz	JODOJAYDXYWADH-UHFFFAOYSA-N	0	1	300.160	4.759	20	10		DJCDMN
Cc1csc(C2(N[C@H](C)c3cc(Cl)ccc3O)CCC2)n1	ZINC000273528106	130132475	/nfs/dbraw/zinc/13/24/75/130132475.db2.gz	VTLONTXBLSBTJE-LLVKDONJSA-N	0	1	322.861	4.541	20	10		DJCDMN
Cc1csc(C2([NH2+][C@H](C)c3cc(Cl)ccc3[O-])CCC2)n1	ZINC000273528106	130132476	/nfs/dbraw/zinc/13/24/76/130132476.db2.gz	VTLONTXBLSBTJE-LLVKDONJSA-N	0	1	322.861	4.541	20	10		DJCDMN
Cc1ccc([C@@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1C	ZINC000273549444	130135424	/nfs/dbraw/zinc/13/54/24/130135424.db2.gz	FRKLZZCYXJXXOA-CYBMUJFWSA-N	0	1	318.486	4.614	20	10		DJCDMN
Cc1ccc([C@H](C)NCc2cc(-c3ccccc3)on2)c(O)c1C	ZINC000273582531	130139906	/nfs/dbraw/zinc/13/99/06/130139906.db2.gz	NBDFVEJTVQWPAJ-HNNXBMFYSA-N	0	1	322.408	4.515	20	10		DJCDMN
C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1[O-]	ZINC000185357262	333207629	/nfs/dbraw/zinc/20/76/29/333207629.db2.gz	NNWMSZZSGKWVMK-JTQLQIEISA-N	0	1	311.759	4.834	20	10		DJCDMN
Cc1ccc(O)c([C@@H](C)N[C@H](c2ccco2)c2ccccc2)c1	ZINC000192791640	336261966	/nfs/dbraw/zinc/26/19/66/336261966.db2.gz	YNGKSNGETCAQMW-QRWLVFNGSA-N	0	1	307.393	4.734	20	10		DJCDMN
Cc1cccc([C@@H](N[C@H](C)c2ccccc2O)c2ccccn2)c1	ZINC000183633943	337193917	/nfs/dbraw/zinc/19/39/17/337193917.db2.gz	NCNOMLASVQEHGH-IIBYNOLFSA-N	0	1	318.420	4.536	20	10		DJCDMN
Cc1c2ccccc2n(C)c1CNCc1cc(Cl)ccc1F	ZINC000475193842	339440974	/nfs/dbraw/zinc/44/09/74/339440974.db2.gz	UTHBYHAXEKCZJZ-UHFFFAOYSA-N	0	1	316.807	4.569	20	10		DJCDMN
Cc1csc(C2(N[C@@H](C)c3cc(Cl)ccc3O)CCC2)n1	ZINC000273528107	130132004	/nfs/dbraw/zinc/13/20/04/130132004.db2.gz	VTLONTXBLSBTJE-NSHDSACASA-N	0	1	322.861	4.541	20	10		DJCDMN
Cc1csc(C2([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CCC2)n1	ZINC000273528107	130132007	/nfs/dbraw/zinc/13/20/07/130132007.db2.gz	VTLONTXBLSBTJE-NSHDSACASA-N	0	1	322.861	4.541	20	10		DJCDMN
Cc1cc(C)c([C@@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1	ZINC000284108143	131049306	/nfs/dbraw/zinc/04/93/06/131049306.db2.gz	NEJYWFJUGQBZKO-CYBMUJFWSA-N	0	1	318.486	4.614	20	10		DJCDMN
C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(Cl)cc1[O-]	ZINC000527968740	337781248	/nfs/dbraw/zinc/78/12/48/337781248.db2.gz	SSJWBQOJPFLIJV-KZULUSFZSA-N	0	1	316.832	4.633	20	10		DJCDMN
Cc1c2ccccc2n(C)c1CNCc1cccc(Cl)c1F	ZINC000475199129	339441213	/nfs/dbraw/zinc/44/12/13/339441213.db2.gz	SFJOKXIHAQCKBS-UHFFFAOYSA-N	0	1	316.807	4.569	20	10		DJCDMN
Cc1ccc(-c2nc(CN[C@@H](C)c3cc(C)ccc3O)co2)cc1	ZINC000273370071	130112643	/nfs/dbraw/zinc/11/26/43/130112643.db2.gz	CGNARHZLMPPGCX-HNNXBMFYSA-N	0	1	322.408	4.515	20	10		DJCDMN
CCc1nc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)cs1	ZINC000162351454	332935326	/nfs/dbraw/zinc/93/53/26/332935326.db2.gz	PTCDXZWOCYKWHM-BBRMVZONSA-N	0	1	317.502	4.573	20	10		DJCDMN
CC[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791077	336261873	/nfs/dbraw/zinc/26/18/73/336261873.db2.gz	OPLLKQCSVUSTRG-FXAWDEMLSA-N	0	1	307.393	4.816	20	10		DJCDMN
Cc1cccc([C@H](N[C@H](C)c2ccccc2O)c2ccccn2)c1	ZINC000183633929	337193909	/nfs/dbraw/zinc/19/39/09/337193909.db2.gz	NCNOMLASVQEHGH-IERDGZPVSA-N	0	1	318.420	4.536	20	10		DJCDMN