smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC(=O)NCc1ccc(O)cc1O	83342465	169174814	/nfs/dbraw/zinc/17/48/14/169174814.db2.gz	RCDUMHCOBXITMV-UHFFFAOYSA-N	1	0	196.206	-0.327	20	10		ABCDRO
Nc1ccc(CC(=O)NCC[NH3+])cc1	40832324	169188021	/nfs/dbraw/zinc/18/80/21/169188021.db2.gz	IPRGVXMJJJKKOO-UHFFFAOYSA-N	1	0	193.250	-0.114	20	10		ABCDRO
OCC(CO)[NH2+]Cc1ccccc1O	83691028	351646473	/nfs/dbraw/zinc/64/64/73/351646473.db2.gz	LYELOLQCTDKYBW-UHFFFAOYSA-N	1	0	197.234	-0.165	20	10		ABCDRO
Nc1ccc(CCNC(=O)C[NH3+])cc1	164439614	629964392	/nfs/dbraw/zinc/96/43/92/629964392.db2.gz	ZITKOZNFNXRJIX-UHFFFAOYSA-N	1	0	193.250	-0.114	20	10		ABCDRO
CC(=O)C(=O)C[C@H]1COC[C@H](C)[NH2+]1	130376432	537983250	/nfs/dbraw/zinc/98/32/50/537983250.db2.gz	DQYSAZRXNSHMID-XPUUQOCRSA-N	1	0	185.223	-0.089	20	10		ABCDRO
CC(=O)C(=O)C[C@H]1COC[C@@H](C)[NH2+]1	130376233	537984246	/nfs/dbraw/zinc/98/42/46/537984246.db2.gz	DQYSAZRXNSHMID-SVRRBLITSA-N	1	0	185.223	-0.089	20	10		ABCDRO
CC(=O)C(=O)C[C@@H]1COC[C@@H](C)[NH2+]1	130376672	537984978	/nfs/dbraw/zinc/98/49/78/537984978.db2.gz	DQYSAZRXNSHMID-HTRCEHHLSA-N	1	0	185.223	-0.089	20	10		ABCDRO
CC(=O)C(=O)C[C@@H]1COC[C@H](C)[NH2+]1	130376875	537985374	/nfs/dbraw/zinc/98/53/74/537985374.db2.gz	DQYSAZRXNSHMID-POYBYMJQSA-N	1	0	185.223	-0.089	20	10		ABCDRO
[NH3+]CC(=O)NCc1c(O)cccc1O	1580210792	1170751154	/nfs/dbraw/zinc/75/11/54/1170751154.db2.gz	RCRXACKKVQIHGC-UHFFFAOYSA-N	1	0	196.206	-0.327	20	10		ABCDRO