smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@@H]1c1ccccc1O	59942366	343349390	/nfs/dbraw/zinc/34/93/90/343349390.db2.gz	VOYYOKKUZFMQPX-SNVBAGLBSA-N	1	2	179.219	1.353	40	10		ADCBLO
C[N@H+]1CCO[C@@H]1c1ccccc1O	59942366	343349391	/nfs/dbraw/zinc/34/93/91/343349391.db2.gz	VOYYOKKUZFMQPX-SNVBAGLBSA-N	1	2	179.219	1.353	40	10		ADCBLO
CC[NH2+]c1ccc(O)c(O)c1	71619016	167310810	/nfs/dbraw/zinc/31/08/10/167310810.db2.gz	HYUIDAKMNFQPTI-UHFFFAOYSA-N	1	2	153.181	1.530	40	10		ADCBLO
Nc1ccc([NH2+]C[C@H]2CCCO2)cc1	5606174	169292735	/nfs/dbraw/zinc/29/27/35/169292735.db2.gz	WPYPITRUPFKTLT-LLVKDONJSA-N	1	2	192.262	1.860	40	10		ADCBLO
Nc1ccc([N@@H+]2CC[C@H](CO)C2)cc1	96526625	169293209	/nfs/dbraw/zinc/29/32/09/169293209.db2.gz	PMKZIUSDKOOKMP-VIFPVBQESA-N	1	2	192.262	1.087	40	10		ADCBLO
Nc1ccc([N@H+]2CC[C@H](CO)C2)cc1	96526625	169293210	/nfs/dbraw/zinc/29/32/10/169293210.db2.gz	PMKZIUSDKOOKMP-VIFPVBQESA-N	1	2	192.262	1.087	40	10		ADCBLO
Nc1ccc([NH2+]C[C@@H]2CCCO2)cc1	5544084	169293234	/nfs/dbraw/zinc/29/32/34/169293234.db2.gz	WPYPITRUPFKTLT-NSHDSACASA-N	1	2	192.262	1.860	40	10		ADCBLO
Nc1ccc([N@@H+]2CC[C@@H](CO)C2)cc1	96526627	169293278	/nfs/dbraw/zinc/29/32/78/169293278.db2.gz	PMKZIUSDKOOKMP-SECBINFHSA-N	1	2	192.262	1.087	40	10		ADCBLO
Nc1ccc([N@H+]2CC[C@@H](CO)C2)cc1	96526627	169293279	/nfs/dbraw/zinc/29/32/79/169293279.db2.gz	PMKZIUSDKOOKMP-SECBINFHSA-N	1	2	192.262	1.087	40	10		ADCBLO
[NH3+]c1ccc(N2CCC[C@H]2CO)cc1	58641736	169293304	/nfs/dbraw/zinc/29/33/04/169293304.db2.gz	JKNODKXGKFKOCM-NSHDSACASA-N	1	2	192.262	1.230	40	10		ADCBLO
[NH3+]c1ccc(N2CCC[C@@H]2CO)cc1	58641734	169293325	/nfs/dbraw/zinc/29/33/25/169293325.db2.gz	JKNODKXGKFKOCM-LLVKDONJSA-N	1	2	192.262	1.230	40	10		ADCBLO
CC(O)=C([N+]#N)C(=O)c1ccccc1	4765141	171014161	/nfs/dbraw/zinc/01/41/61/171014161.db2.gz	CYYVRGUWUAFEDN-UHFFFAOYSA-N	1	2	188.186	1.129	40	10		ADCBLO
[NH3+]c1ccc(N2CCC2)cc1	78675877	171120560	/nfs/dbraw/zinc/12/05/60/171120560.db2.gz	UWVKFAPNLNOQOF-UHFFFAOYSA-N	1	2	148.209	1.479	40	10		ADCBLO
CC1=[NH+]CCc2cc(O)c(O)cc21	2037639	342968271	/nfs/dbraw/zinc/96/82/71/342968271.db2.gz	DWHSGRLKLUGKOU-UHFFFAOYSA-N	1	2	177.203	1.463	40	10	endogenous,in-man	ADCBLO
C[N@@H+]1CCO[C@H]1c1ccccc1O	59942367	343349244	/nfs/dbraw/zinc/34/92/44/343349244.db2.gz	VOYYOKKUZFMQPX-JTQLQIEISA-N	1	2	179.219	1.353	40	10		ADCBLO
C[N@H+]1CCO[C@H]1c1ccccc1O	59942367	343349246	/nfs/dbraw/zinc/34/92/46/343349246.db2.gz	VOYYOKKUZFMQPX-JTQLQIEISA-N	1	2	179.219	1.353	40	10		ADCBLO
CCOC(=[NH2+])c1ccc(O)c(O)c1	226194778	344494214	/nfs/dbraw/zinc/49/42/14/344494214.db2.gz	SQINXQATAXZPIR-UHFFFAOYSA-N	1	2	181.191	1.460	40	10		ADCBLO
Oc1cc2c(cc1O)CC[NH+]=C2	100004199	351686071	/nfs/dbraw/zinc/68/60/71/351686071.db2.gz	PWCQVMIYUGOTLG-UHFFFAOYSA-N	1	2	163.176	1.073	40	10	in-vitro	ADCBLO
Oc1ccc(-c2c[nH]c[nH+]2)cc1O	199772964	351779857	/nfs/dbraw/zinc/77/98/57/351779857.db2.gz	CTNLXBDMPZINHP-UHFFFAOYSA-N	1	2	176.175	1.488	40	10		ADCBLO
Nc1ccc([NH+]2CCC(=O)CC2)cc1	62153024	527490484	/nfs/dbraw/zinc/49/04/84/527490484.db2.gz	MBVAZGKHRAOOJA-UHFFFAOYSA-N	1	2	190.246	1.438	40	10		ADCBLO