smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c(Cl)c1	ZINC000071982690	205302147	/nfs/dbraw/zinc/30/21/47/205302147.db2.gz	IRCHPIVZFUIJFW-JOCHJYFZSA-N	1	1	382.866	5.105	20	0		GKADMO
O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1-c1ccccc1	ZINC000022199363	207247963	/nfs/dbraw/zinc/24/79/63/207247963.db2.gz	PMUZPQPELKAWNN-OAQYLSRUSA-N	1	1	376.525	5.581	20	0		GKADMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)ccn1)CC2	ZINC001164792918	721492793	/nfs/dbraw/zinc/49/27/93/721492793.db2.gz	VLSMQRRJKGNKTK-UHFFFAOYSA-N	1	1	398.554	5.025	20	0		GKADMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)nc1	ZINC001164901969	721499309	/nfs/dbraw/zinc/49/93/09/721499309.db2.gz	XQOVZAZQHNXFKE-XQUALCHDSA-N	1	1	397.607	5.050	20	0		GKADMO
CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1	ZINC001164973286	722172079	/nfs/dbraw/zinc/17/20/79/722172079.db2.gz	ATIUPDOMMMXUMJ-RZUBCFFCSA-N	1	1	382.935	5.167	20	0		GKADMO
Cc1ccc(NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c(Cl)c1	ZINC000007977026	221017714	/nfs/dbraw/zinc/01/77/14/221017714.db2.gz	KJVTZEYUJHHLCH-UHFFFAOYSA-N	1	1	399.966	5.464	20	0		GKADMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)nc1	ZINC001164901967	721499131	/nfs/dbraw/zinc/49/91/31/721499131.db2.gz	XQOVZAZQHNXFKE-OLKYXYMISA-N	1	1	397.607	5.050	20	0		GKADMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1	ZINC001164979974	722172984	/nfs/dbraw/zinc/17/29/84/722172984.db2.gz	VWABCFWZPPEAJB-HSZRJFAPSA-N	1	1	397.607	5.194	20	0		GKADMO
C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21	ZINC000022199464	207247788	/nfs/dbraw/zinc/24/77/88/207247788.db2.gz	KIZJCTDRHYVAKJ-GOSISDBHSA-N	1	1	377.315	5.331	20	0		GKADMO
Cc1ccc(NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c(C)c1	ZINC000007977039	221017583	/nfs/dbraw/zinc/01/75/83/221017583.db2.gz	XDBNKSIKHZYXFE-UHFFFAOYSA-N	1	1	379.548	5.119	20	0		GKADMO
FC(F)(F)c1cccc(Oc2cccc(CNCC[NH+]3CCCCC3)c2)c1	ZINC000022449464	570317214	/nfs/dbraw/zinc/31/72/14/570317214.db2.gz	MVPDGZFBLQGUCH-UHFFFAOYSA-N	1	1	378.438	5.073	20	0		GKADMO
CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1	ZINC001164973250	722172090	/nfs/dbraw/zinc/17/20/90/722172090.db2.gz	ATIUPDOMMMXUMJ-KCZVDYSFSA-N	1	1	382.935	5.167	20	0		GKADMO
O[C@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000072272955	211083978	/nfs/dbraw/zinc/08/39/78/211083978.db2.gz	GTKZHJOIYCZNDS-IAGOWNOFSA-N	1	1	392.446	5.186	20	0		GKADMO
O[C@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000072272955	211083982	/nfs/dbraw/zinc/08/39/82/211083982.db2.gz	GTKZHJOIYCZNDS-IAGOWNOFSA-N	1	1	392.446	5.186	20	0		GKADMO
O[C@@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000072272956	211083662	/nfs/dbraw/zinc/08/36/62/211083662.db2.gz	GTKZHJOIYCZNDS-SJORKVTESA-N	1	1	392.446	5.186	20	0		GKADMO
O[C@@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000072272956	211083664	/nfs/dbraw/zinc/08/36/64/211083664.db2.gz	GTKZHJOIYCZNDS-SJORKVTESA-N	1	1	392.446	5.186	20	0		GKADMO
FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)c1	ZINC000010036975	206806028	/nfs/dbraw/zinc/80/60/28/206806028.db2.gz	LZAPYENXNCWFDB-CQSZACIVSA-N	1	1	379.407	5.154	20	0		GKADMO
FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)c1	ZINC000010036975	206806031	/nfs/dbraw/zinc/80/60/31/206806031.db2.gz	LZAPYENXNCWFDB-CQSZACIVSA-N	1	1	379.407	5.154	20	0		GKADMO
C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21	ZINC000022199469	207248418	/nfs/dbraw/zinc/24/84/18/207248418.db2.gz	KIZJCTDRHYVAKJ-SFHVURJKSA-N	1	1	377.315	5.331	20	0		GKADMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)nc1	ZINC001164901914	721499299	/nfs/dbraw/zinc/49/92/99/721499299.db2.gz	XQOVZAZQHNXFKE-CJRSTVEYSA-N	1	1	397.607	5.050	20	0		GKADMO
O[C@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000060463881	570820485	/nfs/dbraw/zinc/82/04/85/570820485.db2.gz	GTKZHJOIYCZNDS-DLBZAZTESA-N	1	1	392.446	5.186	20	0		GKADMO
O[C@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F	ZINC000060463881	570820489	/nfs/dbraw/zinc/82/04/89/570820489.db2.gz	GTKZHJOIYCZNDS-DLBZAZTESA-N	1	1	392.446	5.186	20	0		GKADMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)nc1	ZINC001164901963	721499287	/nfs/dbraw/zinc/49/92/87/721499287.db2.gz	XQOVZAZQHNXFKE-KEZOAJOQSA-N	1	1	397.607	5.050	20	0		GKADMO
CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1	ZINC001164973297	722171899	/nfs/dbraw/zinc/17/18/99/722171899.db2.gz	ATIUPDOMMMXUMJ-URVUXULASA-N	1	1	382.935	5.167	20	0		GKADMO
CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1	ZINC001164973291	722171986	/nfs/dbraw/zinc/17/19/86/722171986.db2.gz	ATIUPDOMMMXUMJ-SJBKTWHCSA-N	1	1	382.935	5.167	20	0		GKADMO
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1	ZINC001164979977	722172892	/nfs/dbraw/zinc/17/28/92/722172892.db2.gz	VWABCFWZPPEAJB-QHCPKHFHSA-N	1	1	397.607	5.194	20	0		GKADMO
O=C(Nc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1)c1ccncc1	ZINC000071970439	211065597	/nfs/dbraw/zinc/06/55/97/211065597.db2.gz	IAFJHHFOYCZJPO-UHFFFAOYSA-N	1	1	388.858	5.148	20	0		GKADMO
Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c(Cl)c1	ZINC000071982689	205302326	/nfs/dbraw/zinc/30/23/26/205302326.db2.gz	IRCHPIVZFUIJFW-QFIPXVFZSA-N	1	1	382.866	5.105	20	0		GKADMO
CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1	ZINC001165033859	721880211	/nfs/dbraw/zinc/88/02/11/721880211.db2.gz	WSKWRXOWTBRJDZ-UHFFFAOYSA-N	1	1	383.294	5.306	20	0		GKADMO