smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC([NH3+])(CC)CNc1cc[nH+]cc1Br	ZINC000159922160	521650472	/nfs/dbraw/zinc/65/04/72/521650472.db2.gz	CKAYOOXIXBDRLA-UHFFFAOYSA-N	2	1	272.190	2.774	10	70		CFIEMP
CCSCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000160088936	378747053	/nfs/dbraw/zinc/74/70/53/378747053.db2.gz	WSCSFDOZEKRIFH-AWEZNQCLSA-N	2	1	279.453	2.877	10	70		CFIEMP
CCSCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000160088936	378747058	/nfs/dbraw/zinc/74/70/58/378747058.db2.gz	WSCSFDOZEKRIFH-AWEZNQCLSA-N	2	1	279.453	2.877	10	70		CFIEMP
Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1O	ZINC000217698927	382787428	/nfs/dbraw/zinc/78/74/28/382787428.db2.gz	UJBHYFDRGIJGRW-HOTGVXAUSA-N	2	1	274.408	2.725	10	70		CFIEMP
Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1O	ZINC000217698927	382787430	/nfs/dbraw/zinc/78/74/30/382787430.db2.gz	UJBHYFDRGIJGRW-HOTGVXAUSA-N	2	1	274.408	2.725	10	70		CFIEMP
CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000160894822	281291088	/nfs/dbraw/zinc/29/10/88/281291088.db2.gz	DUHMTXYTFCHRNE-SJORKVTESA-N	2	1	282.472	2.735	10	70		CFIEMP
CC(C)C[C@H](C[NH3+])Nc1cc[nH+]cc1Br	ZINC000159903159	519347511	/nfs/dbraw/zinc/34/75/11/519347511.db2.gz	MHKMZEWLABBIHV-SECBINFHSA-N	2	1	272.190	2.629	10	70		CFIEMP
CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(O)CC)CC1	ZINC000160630749	528338040	/nfs/dbraw/zinc/33/80/40/528338040.db2.gz	ABJLLWLPDAINJI-MRXNPFEDSA-N	2	1	270.461	2.591	10	70		CFIEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC3CC3)C2)[nH+]1	ZINC000160088232	524680298	/nfs/dbraw/zinc/68/02/98/524680298.db2.gz	XQTNUUJBUAKCGK-INIZCTEOSA-N	2	1	289.423	2.550	10	70		CFIEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCC3CC3)C2)[nH+]1	ZINC000160088232	524680308	/nfs/dbraw/zinc/68/03/08/524680308.db2.gz	XQTNUUJBUAKCGK-INIZCTEOSA-N	2	1	289.423	2.550	10	70		CFIEMP
Cc1nccn1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161424263	527440939	/nfs/dbraw/zinc/44/09/39/527440939.db2.gz	VZJWFYPEWVCKFN-KRWDZBQOSA-N	2	1	290.455	2.532	10	70		CFIEMP
CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000160751610	378796679	/nfs/dbraw/zinc/79/66/79/378796679.db2.gz	CWIDHPROISBXHH-IAGOWNOFSA-N	2	1	282.472	2.591	10	70		CFIEMP
Cc1nccn1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161424380	527449635	/nfs/dbraw/zinc/44/96/35/527449635.db2.gz	VZJWFYPEWVCKFN-QGZVFWFLSA-N	2	1	290.455	2.532	10	70		CFIEMP
CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000160894964	394366866	/nfs/dbraw/zinc/36/68/66/394366866.db2.gz	DUHMTXYTFCHRNE-IAGOWNOFSA-N	2	1	282.472	2.735	10	70		CFIEMP
CCCC[C@H](C[NH3+])Nc1cc[nH+]cc1Br	ZINC000159919374	521193025	/nfs/dbraw/zinc/19/30/25/521193025.db2.gz	TYGIDAJOYQMMOQ-SECBINFHSA-N	2	1	272.190	2.774	10	70		CFIEMP
Cc1cnn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000160983165	526267572	/nfs/dbraw/zinc/26/75/72/526267572.db2.gz	IUPBNHLCPFOOJG-KRWDZBQOSA-N	2	1	290.455	2.704	10	70		CFIEMP
Cc1cnn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000160983165	526267575	/nfs/dbraw/zinc/26/75/75/526267575.db2.gz	IUPBNHLCPFOOJG-KRWDZBQOSA-N	2	1	290.455	2.704	10	70		CFIEMP
CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(O)CC)CC1	ZINC000160630877	528339552	/nfs/dbraw/zinc/33/95/52/528339552.db2.gz	ABJLLWLPDAINJI-INIZCTEOSA-N	2	1	270.461	2.591	10	70		CFIEMP
CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000161332459	378838533	/nfs/dbraw/zinc/83/85/33/378838533.db2.gz	GUGJOGGXANXRIW-ROUUACIJSA-N	2	1	290.451	2.601	10	70		CFIEMP
CC[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000161332459	378838538	/nfs/dbraw/zinc/83/85/38/378838538.db2.gz	GUGJOGGXANXRIW-ROUUACIJSA-N	2	1	290.451	2.601	10	70		CFIEMP
CC[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000161332459	378838543	/nfs/dbraw/zinc/83/85/43/378838543.db2.gz	GUGJOGGXANXRIW-ROUUACIJSA-N	2	1	290.451	2.601	10	70		CFIEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCOCC3CC3)C2)[nH+]1	ZINC000160088356	524684202	/nfs/dbraw/zinc/68/42/02/524684202.db2.gz	XQTNUUJBUAKCGK-MRXNPFEDSA-N	2	1	289.423	2.550	10	70		CFIEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCOCC3CC3)C2)[nH+]1	ZINC000160088356	524684211	/nfs/dbraw/zinc/68/42/11/524684211.db2.gz	XQTNUUJBUAKCGK-MRXNPFEDSA-N	2	1	289.423	2.550	10	70		CFIEMP
CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000161332609	378838894	/nfs/dbraw/zinc/83/88/94/378838894.db2.gz	GUGJOGGXANXRIW-ZWKOTPCHSA-N	2	1	290.451	2.601	10	70		CFIEMP
CC[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000161332609	378838900	/nfs/dbraw/zinc/83/89/00/378838900.db2.gz	GUGJOGGXANXRIW-ZWKOTPCHSA-N	2	1	290.451	2.601	10	70		CFIEMP
CC[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000161332609	378838909	/nfs/dbraw/zinc/83/89/09/378838909.db2.gz	GUGJOGGXANXRIW-ZWKOTPCHSA-N	2	1	290.451	2.601	10	70		CFIEMP
CC(C)C[C@@H](C[NH3+])Nc1cc[nH+]cc1Br	ZINC000159903016	519776418	/nfs/dbraw/zinc/77/64/18/519776418.db2.gz	MHKMZEWLABBIHV-VIFPVBQESA-N	2	1	272.190	2.629	10	70		CFIEMP
CCSCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000160088805	378746763	/nfs/dbraw/zinc/74/67/63/378746763.db2.gz	WSCSFDOZEKRIFH-CQSZACIVSA-N	2	1	279.453	2.877	10	70		CFIEMP
CCSCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000160088805	378746766	/nfs/dbraw/zinc/74/67/66/378746766.db2.gz	WSCSFDOZEKRIFH-CQSZACIVSA-N	2	1	279.453	2.877	10	70		CFIEMP
CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1	ZINC000161112368	281291139	/nfs/dbraw/zinc/29/11/39/281291139.db2.gz	VUMNEGCRAFZASS-ULQDDVLXSA-N	2	1	282.472	2.734	10	70		CFIEMP
CC[C@](C)(O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000161112368	281291140	/nfs/dbraw/zinc/29/11/40/281291140.db2.gz	VUMNEGCRAFZASS-ULQDDVLXSA-N	2	1	282.472	2.734	10	70		CFIEMP
CC[C@](C)(O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000161112368	281291141	/nfs/dbraw/zinc/29/11/41/281291141.db2.gz	VUMNEGCRAFZASS-ULQDDVLXSA-N	2	1	282.472	2.734	10	70		CFIEMP
CCCC[C@@H](C[NH3+])Nc1cc[nH+]cc1Br	ZINC000159919233	521049250	/nfs/dbraw/zinc/04/92/50/521049250.db2.gz	TYGIDAJOYQMMOQ-VIFPVBQESA-N	2	1	272.190	2.774	10	70		CFIEMP
Cc1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000160983036	526266033	/nfs/dbraw/zinc/26/60/33/526266033.db2.gz	IUPBNHLCPFOOJG-QGZVFWFLSA-N	2	1	290.455	2.704	10	70		CFIEMP
Cc1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000160983036	526266035	/nfs/dbraw/zinc/26/60/35/526266035.db2.gz	IUPBNHLCPFOOJG-QGZVFWFLSA-N	2	1	290.455	2.704	10	70		CFIEMP
Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1O	ZINC000217698836	382787556	/nfs/dbraw/zinc/78/75/56/382787556.db2.gz	UJBHYFDRGIJGRW-CVEARBPZSA-N	2	1	274.408	2.725	10	70		CFIEMP
Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1O	ZINC000217698836	382787559	/nfs/dbraw/zinc/78/75/59/382787559.db2.gz	UJBHYFDRGIJGRW-CVEARBPZSA-N	2	1	274.408	2.725	10	70		CFIEMP
CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000160751509	523495257	/nfs/dbraw/zinc/49/52/57/523495257.db2.gz	CWIDHPROISBXHH-SJORKVTESA-N	2	1	282.472	2.591	10	70		CFIEMP
[NH3+]C1CCC(Nc2cc[nH+]cc2Br)CC1	ZINC000159802988	527141909	/nfs/dbraw/zinc/14/19/09/527141909.db2.gz	PRIMQJUOSCNMQM-UHFFFAOYSA-N	2	1	270.174	2.526	10	70		CFIEMP