smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c([C@H](C)[NH3+])cc1Cl	71454591	572822934	/nfs/dbraw/zinc/82/29/34/572822934.db2.gz	HXYBINAGSWQQAH-LURJTMIESA-N	0	1	185.654	2.374	50	10		AECAMN
Cc1cc([O-])c([C@@H](C)[NH3+])cc1Cl	71454590	572823888	/nfs/dbraw/zinc/82/38/88/572823888.db2.gz	HXYBINAGSWQQAH-ZCFIWIBFSA-N	0	1	185.654	2.374	50	10		AECAMN
C[NH+](C)Cc1cc(Cl)ccc1[O-]	4808695	342996205	/nfs/dbraw/zinc/99/62/05/342996205.db2.gz	WPEGHIRPYPPYDO-UHFFFAOYSA-N	0	1	185.654	2.107	50	10		AECAMN
CCN(CC)c1ccc(N)cc1	388427	167172713	/nfs/dbraw/zinc/17/27/13/167172713.db2.gz	QNGVNLMMEQUVQK-UHFFFAOYSA-N	0	1	164.252	2.115	50	10	in-vitro	AECAMN
CC[NH2+]Cc1c([O-])cccc1Cl	83551524	167273975	/nfs/dbraw/zinc/27/39/75/167273975.db2.gz	MHOWFQGBMLLDFK-UHFFFAOYSA-N	0	1	185.654	2.155	50	10		AECAMN
CC[NH2+]Cc1cc(Cl)ccc1[O-]	19434862	167275663	/nfs/dbraw/zinc/27/56/63/167275663.db2.gz	IGZGODFWUJDHQK-UHFFFAOYSA-N	0	1	185.654	2.155	50	10	in-vitro	AECAMN
CCOC(=O)C(C=O)c1ccccc1	100097754	167318518	/nfs/dbraw/zinc/31/85/18/167318518.db2.gz	ZQCUSIHDKTWLTA-CSKARUKUSA-N	0	1	192.214	2.149	50	10		AECAMN
CCOC(=O)C(C=O)c1ccccc1	100097752	167318807	/nfs/dbraw/zinc/31/88/07/167318807.db2.gz	ZQCUSIHDKTWLTA-NTMALXAHSA-N	0	1	192.214	2.149	50	10		AECAMN
Nc1ccc(Nc2ccncc2)cc1	15894715	169292847	/nfs/dbraw/zinc/29/28/47/169292847.db2.gz	BGFGRYYEROKAHI-UHFFFAOYSA-N	0	1	185.230	2.407	50	10		AECAMN
[O-]c1cccc(Cl)c1C[NH2+]C1CC1	83551176	171130484	/nfs/dbraw/zinc/13/04/84/171130484.db2.gz	UBXUWPNNIRLOGR-UHFFFAOYSA-N	0	1	197.665	2.298	50	10		AECAMN
CN(C)N=Nc1ccc2nc[nH]c2c1	13686513	343036736	/nfs/dbraw/zinc/03/67/36/343036736.db2.gz	JIWVDIFFDXRHMX-OUKQBFOZSA-N	0	1	189.222	2.123	50	10		AECAMN
CC(C)([NH3+])c1ccc(Cl)cc1[O-]	82878749	630049771	/nfs/dbraw/zinc/04/97/71/630049771.db2.gz	AMJBJWGODYJJJZ-UHFFFAOYSA-N	0	1	185.654	2.239	50	10		AECAMN