smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C	ZINC000005063745	210379338	/nfs/dbraw/zinc/37/93/38/210379338.db2.gz	LPQWSHZCDQSVEG-BUHFOSPRSA-N	2	0	328.544	4.292	40	30		EIEBRP
C[C@@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C	ZINC000004728599	563509296	/nfs/dbraw/zinc/50/92/96/563509296.db2.gz	XKAPFDIMCVLRIR-WERVVEIQSA-N	2	0	327.516	4.157	40	30		EIEBRP
C=CC[N+](CC=C)(CC=C)C/C=C\C[N+](CC=C)(CC=C)CC=C	ZINC000008635199	210976943	/nfs/dbraw/zinc/97/69/43/210976943.db2.gz	LPQWSHZCDQSVEG-YPKPFQOOSA-N	2	0	328.544	4.292	40	30		EIEBRP
[NH2+]=C(Nc1ccccc1)SCCSC(=[NH2+])Nc1ccccc1	ZINC000017289775	526828000	/nfs/dbraw/zinc/82/80/00/526828000.db2.gz	MSEHOXBNMYCQJH-UHFFFAOYSA-N	2	0	330.482	4.146	40	30		EIEBRP
C[C@@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C	ZINC000013509656	564020050	/nfs/dbraw/zinc/02/00/50/564020050.db2.gz	XKAPFDIMCVLRIR-RCLSDMTESA-N	2	0	327.516	4.157	40	30		EIEBRP
CCCCCCC[NH2+]CCOCCOCC[NH2+]CCCCCCC	ZINC000100923862	219112023	/nfs/dbraw/zinc/11/20/23/219112023.db2.gz	DKYMJKWEOBAVRE-UHFFFAOYSA-N	2	0	344.584	4.140	40	30		EIEBRP
C[C@@H](C#N)CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H](C)[NH+](C)C[C@H]1C	ZINC000004728597	210262066	/nfs/dbraw/zinc/26/20/66/210262066.db2.gz	XKAPFDIMCVLRIR-BNDYYXHWSA-N	2	0	327.516	4.157	40	30		EIEBRP
CCCCNC(=[NH2+])SCCCCCCSC(=[NH2+])NCCCC	ZINC000017290112	563842046	/nfs/dbraw/zinc/84/20/46/563842046.db2.gz	FEEIRPDCFPHFHX-UHFFFAOYSA-N	2	0	346.610	4.243	40	30		EIEBRP
C[C@@H](C#N)CCC[N@H+](Cc1ccccc1)[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C	ZINC000004728596	210261451	/nfs/dbraw/zinc/26/14/51/210261451.db2.gz	XKAPFDIMCVLRIR-XCJLJZCSSA-N	2	0	327.516	4.157	40	30		EIEBRP
C[C@@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C	ZINC000004728598	210262000	/nfs/dbraw/zinc/26/20/00/210262000.db2.gz	XKAPFDIMCVLRIR-ANTGDGSKSA-N	2	0	327.516	4.157	40	30		EIEBRP
CCCCCCCCCc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1	ZINC000001609235	564130202	/nfs/dbraw/zinc/13/02/02/564130202.db2.gz	OYCWDHDJTHQWFU-UHFFFAOYSA-N	2	0	343.519	4.165	40	30		EIEBRP