smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1	ZINC000161267965	519673971	/nfs/dbraw/zinc/67/39/71/519673971.db2.gz	XYTMCDRPDKCJEF-KRWDZBQOSA-N	2	2	306.425	3.502	20	70		DHIDLP
CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccn1	ZINC000160079456	520976671	/nfs/dbraw/zinc/97/66/71/520976671.db2.gz	XGLGGCKOWZRVOC-QGZVFWFLSA-N	2	2	324.472	3.776	20	70		DHIDLP
CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccn1	ZINC000160079456	520976683	/nfs/dbraw/zinc/97/66/83/520976683.db2.gz	XGLGGCKOWZRVOC-QGZVFWFLSA-N	2	2	324.472	3.776	20	70		DHIDLP
C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1	ZINC000159905600	523777763	/nfs/dbraw/zinc/77/77/63/523777763.db2.gz	CJTPVIQZHDDIRR-UHFFFAOYSA-N	2	2	306.759	3.543	20	70		DHIDLP
Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1	ZINC000159596488	526944663	/nfs/dbraw/zinc/94/46/63/526944663.db2.gz	CPWOSZMOSBEYDM-QGZVFWFLSA-N	2	2	324.921	3.790	20	70		DHIDLP
Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1	ZINC000159555641	526986963	/nfs/dbraw/zinc/98/69/63/526986963.db2.gz	TUEKYNCUNKHXMA-MRXNPFEDSA-N	2	2	324.921	3.790	20	70		DHIDLP
CC(C)[NH+](CCSCc1ccc(-n2cc[nH+]c2)nc1)C(C)C	ZINC000161027241	519650543	/nfs/dbraw/zinc/65/05/43/519650543.db2.gz	DELMWVDFYDILRJ-UHFFFAOYSA-N	2	2	318.490	3.619	20	70		DHIDLP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F	ZINC000161505963	525402756	/nfs/dbraw/zinc/40/27/56/525402756.db2.gz	QGUZXCWWADVGGG-SNVBAGLBSA-N	2	2	318.795	3.686	20	70		DHIDLP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F	ZINC000161505838	525293578	/nfs/dbraw/zinc/29/35/78/525293578.db2.gz	QGUZXCWWADVGGG-JTQLQIEISA-N	2	2	318.795	3.686	20	70		DHIDLP
Clc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1	ZINC000160376166	526941914	/nfs/dbraw/zinc/94/19/14/526941914.db2.gz	ZYCKTPOZAWTGHE-UHFFFAOYSA-N	2	2	321.877	3.598	20	70		DHIDLP
CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1	ZINC000159401515	332614713	/nfs/dbraw/zinc/61/47/13/332614713.db2.gz	CTVQRJWFOCCSPS-APWZRJJASA-N	2	2	315.461	3.710	20	70		DHIDLP
Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1	ZINC000161503024	526604496	/nfs/dbraw/zinc/60/44/96/526604496.db2.gz	UFYWCNMLVUGSGS-CYBMUJFWSA-N	2	2	315.486	3.863	20	70		DHIDLP
CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccn1	ZINC000160079309	520977581	/nfs/dbraw/zinc/97/75/81/520977581.db2.gz	XGLGGCKOWZRVOC-KRWDZBQOSA-N	2	2	324.472	3.776	20	70		DHIDLP
CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccn1	ZINC000160079309	520977586	/nfs/dbraw/zinc/97/75/86/520977586.db2.gz	XGLGGCKOWZRVOC-KRWDZBQOSA-N	2	2	324.472	3.776	20	70		DHIDLP
CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1	ZINC000159401230	332614706	/nfs/dbraw/zinc/61/47/06/332614706.db2.gz	CTVQRJWFOCCSPS-LPHOPBHVSA-N	2	2	315.461	3.710	20	70		DHIDLP
Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1	ZINC000159555783	526986871	/nfs/dbraw/zinc/98/68/71/526986871.db2.gz	TUEKYNCUNKHXMA-INIZCTEOSA-N	2	2	324.921	3.790	20	70		DHIDLP
CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1	ZINC000159401678	332614602	/nfs/dbraw/zinc/61/46/02/332614602.db2.gz	CTVQRJWFOCCSPS-VQIMIIECSA-N	2	2	315.461	3.710	20	70		DHIDLP
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+](C)CC1	ZINC000161503149	526606719	/nfs/dbraw/zinc/60/67/19/526606719.db2.gz	UFYWCNMLVUGSGS-ZDUSSCGKSA-N	2	2	315.486	3.863	20	70		DHIDLP
Cn1cc[nH+]c1CC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1	ZINC000160667461	334877688	/nfs/dbraw/zinc/87/76/88/334877688.db2.gz	OWGHMIZOMLQUOM-UHFFFAOYSA-N	2	2	324.403	3.567	20	70		DHIDLP
C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2c[nH]nc2c1	ZINC000159379138	332081315	/nfs/dbraw/zinc/08/13/15/332081315.db2.gz	BZFKFWQUIDPIIS-UHFFFAOYSA-N	2	2	322.456	3.563	20	70		DHIDLP
C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2c[nH]nc2c1	ZINC000159379138	332081317	/nfs/dbraw/zinc/08/13/17/332081317.db2.gz	BZFKFWQUIDPIIS-UHFFFAOYSA-N	2	2	322.456	3.563	20	70		DHIDLP
COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000160462404	525146970	/nfs/dbraw/zinc/14/69/70/525146970.db2.gz	LWMKEYOGFJWATM-CQSZACIVSA-N	2	2	320.452	3.892	20	70		DHIDLP
FC(F)(F)c1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CC1	ZINC000159759556	527687230	/nfs/dbraw/zinc/68/72/30/527687230.db2.gz	YOZZRJHQSDYXRE-UHFFFAOYSA-N	2	2	309.335	3.567	20	70		DHIDLP
FC(F)(F)c1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CC1	ZINC000159759556	527687233	/nfs/dbraw/zinc/68/72/33/527687233.db2.gz	YOZZRJHQSDYXRE-UHFFFAOYSA-N	2	2	309.335	3.567	20	70		DHIDLP
CC(C)[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1	ZINC000161267841	519673200	/nfs/dbraw/zinc/67/32/00/519673200.db2.gz	XYTMCDRPDKCJEF-QGZVFWFLSA-N	2	2	306.425	3.502	20	70		DHIDLP
COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000160462266	525317043	/nfs/dbraw/zinc/31/70/43/525317043.db2.gz	LWMKEYOGFJWATM-AWEZNQCLSA-N	2	2	320.452	3.892	20	70		DHIDLP
Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1	ZINC000159596625	526943710	/nfs/dbraw/zinc/94/37/10/526943710.db2.gz	CPWOSZMOSBEYDM-KRWDZBQOSA-N	2	2	324.921	3.790	20	70		DHIDLP