smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C=c1\[n-]c(=O)/c(=C/CC)[nH]c1=O	28020698	166069941	/nfs/dbraw/zinc/06/99/41/166069941.db2.gz	IDKCJUWXNUFKNA-PEPZGXQESA-N	-1	1	180.207	-0.946	1	0		ABAFMM
CCOC(=O)c1cnc(N)[n-]c1=O	100995878	167350207	/nfs/dbraw/zinc/35/02/07/167350207.db2.gz	ZIOIYRXZVUBLLM-SCSAIBSYSA-N	-1	1	183.167	-0.909	1	0		ABAFMM
CCOC(=O)c1cnc(N)[n-]c1=O	100995883	167361678	/nfs/dbraw/zinc/36/16/78/167361678.db2.gz	ZIOIYRXZVUBLLM-BYPYZUCNSA-N	-1	1	183.167	-0.909	1	0		ABAFMM
CONC(=O)CCC[P@](=O)([O-])O	95572642	168202261	/nfs/dbraw/zinc/20/22/61/168202261.db2.gz	SWBPZYOZAXDBKK-UHFFFAOYSA-N	-1	1	197.127	-0.378	1	0		ABAFMM
Nc1nc2c(c(=O)[n-]1)NCCS2	27627693	169306411	/nfs/dbraw/zinc/30/64/11/169306411.db2.gz	RWOIJJABCIICLS-UHFFFAOYSA-N	-1	1	184.224	-0.130	1	0		ABAFMM
Nc1[n-]c(=O)nc2nnsc12	36382847	169307190	/nfs/dbraw/zinc/30/71/90/169307190.db2.gz	JOGYYLYUDXZPPZ-UHFFFAOYSA-N	-1	1	169.169	-0.231	1	0		ABAFMM
O=C(NO)OCC[P@](=O)([O-])O	29059364	169330435	/nfs/dbraw/zinc/33/04/35/169330435.db2.gz	QKWWYQUREUKDAE-UHFFFAOYSA-N	-1	1	185.072	-0.721	1	0		ABAFMM
O=CN(O)C[C@@H]1C[C@H]1[P@](=O)([O-])O	13686193	169397765	/nfs/dbraw/zinc/39/77/65/169397765.db2.gz	UQUOLLQTLQTTFU-CRCLSJGQSA-N	-1	1	195.111	-0.600	1	0		ABAFMM
C[S@@](=N)(=O)CC[P@](=O)([O-])O	102788569	171146606	/nfs/dbraw/zinc/14/66/06/171146606.db2.gz	SYMPVCLZNPUPFB-SNVBAGLBSA-N	-1	1	187.157	-0.159	1	0		ABAFMM
CC(NC(=O)[C@@H](N)[C@@H](C)O)C(=O)[O-]	100388087	571809086	/nfs/dbraw/zinc/80/90/86/571809086.db2.gz	LXBDZKRQHAIKLX-UHNVWZDZSA-N	-1	1	190.199	-0.884	1	0	endogenous,in-vitro	ABAFMM
CC(NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-]	100388085	571809057	/nfs/dbraw/zinc/80/90/57/571809057.db2.gz	LXBDZKRQHAIKLX-CRCLSJGQSA-N	-1	1	190.199	-0.884	1	0	endogenous,in-vitro	ABAFMM
C[P@](N)(=O)[O-]	58649976	572957847	/nfs/dbraw/zinc/95/78/47/572957847.db2.gz	XQJNSUNTLIFUSQ-UHFFFAOYSA-N	-1	1	95.038	-0.240	1	0	in-vitro	ABAFMM
NC(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	69488650	574416464	/nfs/dbraw/zinc/41/64/64/574416464.db2.gz	FGOKQNIDQFMELO-UHFFFAOYSA-N	-1	1	198.182	-0.094	1	0	endogenous,in-vitro	ABAFMM
O=CNC(Cc1cnc[nH]1)C(=O)[O-]	69488750	574416493	/nfs/dbraw/zinc/41/64/93/574416493.db2.gz	LHVGZMDCBIUWDC-UHFFFAOYSA-N	-1	1	183.167	-0.017	1	0	endogenous,in-vitro	ABAFMM
CC(NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-]	100388082	574418096	/nfs/dbraw/zinc/41/80/96/574418096.db2.gz	LXBDZKRQHAIKLX-RFZPGFLSSA-N	-1	1	190.199	-0.884	1	0	endogenous,in-vitro	ABAFMM
CC(NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-]	100388091	574418106	/nfs/dbraw/zinc/41/81/06/574418106.db2.gz	LXBDZKRQHAIKLX-WHFBIAKZSA-N	-1	1	190.199	-0.884	1	0	endogenous,in-vitro	ABAFMM