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+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2	ZINC000275690316	523603313	/nfs/dbraw/zinc/60/33/13/523603313.db2.gz	MNVWUDGZUIAQAE-MRXNPFEDSA-N	2	2	358.536	3.563	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2	ZINC000275690316	523603326	/nfs/dbraw/zinc/60/33/26/523603326.db2.gz	MNVWUDGZUIAQAE-MRXNPFEDSA-N	2	2	358.536	3.563	10	30		FHEELP
C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2	ZINC000275690312	523603843	/nfs/dbraw/zinc/60/38/43/523603843.db2.gz	MNVWUDGZUIAQAE-INIZCTEOSA-N	2	2	358.536	3.563	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2	ZINC000275690312	523603851	/nfs/dbraw/zinc/60/38/51/523603851.db2.gz	MNVWUDGZUIAQAE-INIZCTEOSA-N	2	2	358.536	3.563	10	30		FHEELP
C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000275548184	523604752	/nfs/dbraw/zinc/60/47/52/523604752.db2.gz	FVGZZYGYUVCBJH-SFHVURJKSA-N	2	2	352.507	3.501	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000275548184	523604760	/nfs/dbraw/zinc/60/47/60/523604760.db2.gz	FVGZZYGYUVCBJH-SFHVURJKSA-N	2	2	352.507	3.501	10	30		FHEELP
C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000275772076	570725192	/nfs/dbraw/zinc/72/51/92/570725192.db2.gz	RILYWNBWADKCIE-GOSISDBHSA-N	2	2	352.507	3.501	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000275772076	570725197	/nfs/dbraw/zinc/72/51/97/570725197.db2.gz	RILYWNBWADKCIE-GOSISDBHSA-N	2	2	352.507	3.501	10	30		FHEELP
Cc1cc(N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)c(C#N)c(C)[nH+]1	ZINC000328623958	571324605	/nfs/dbraw/zinc/32/46/05/571324605.db2.gz	CEYRQICKFNNMRI-SFHVURJKSA-N	2	2	367.522	3.518	10	30		FHEELP
Cc1cc(N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)c(C#N)c(C)[nH+]1	ZINC000328623958	571324606	/nfs/dbraw/zinc/32/46/06/571324606.db2.gz	CEYRQICKFNNMRI-SFHVURJKSA-N	2	2	367.522	3.518	10	30		FHEELP
C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000275772078	570725234	/nfs/dbraw/zinc/72/52/34/570725234.db2.gz	RILYWNBWADKCIE-SFHVURJKSA-N	2	2	352.507	3.501	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(C#N)cc1)CC2	ZINC000275772078	570725237	/nfs/dbraw/zinc/72/52/37/570725237.db2.gz	RILYWNBWADKCIE-SFHVURJKSA-N	2	2	352.507	3.501	10	30		FHEELP
COc1ccc(/C=[NH+]\CCC/[NH+]=C\c2ccc(OC)c(OC)c2)cc1OC	ZINC000105115427	523458761	/nfs/dbraw/zinc/45/87/61/523458761.db2.gz	CVQUKSXLPMUVED-VMTNTFKOSA-N	2	2	370.449	3.649	10	30		FHEELP
C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000275548181	523603758	/nfs/dbraw/zinc/60/37/58/523603758.db2.gz	FVGZZYGYUVCBJH-GOSISDBHSA-N	2	2	352.507	3.501	10	30		FHEELP
C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000275548181	523603764	/nfs/dbraw/zinc/60/37/64/523603764.db2.gz	FVGZZYGYUVCBJH-GOSISDBHSA-N	2	2	352.507	3.501	10	30		FHEELP
Cc1cc(N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)c(C#N)c(C)[nH+]1	ZINC000328623957	571324633	/nfs/dbraw/zinc/32/46/33/571324633.db2.gz	CEYRQICKFNNMRI-GOSISDBHSA-N	2	2	367.522	3.518	10	30		FHEELP
Cc1cc(N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)c(C#N)c(C)[nH+]1	ZINC000328623957	571324634	/nfs/dbraw/zinc/32/46/34/571324634.db2.gz	CEYRQICKFNNMRI-GOSISDBHSA-N	2	2	367.522	3.518	10	30		FHEELP
COc1ccc(/C=[NH+]/CCC/[NH+]=C/c2ccc(OC)c(OC)c2)cc1OC	ZINC000018085869	523438014	/nfs/dbraw/zinc/43/80/14/523438014.db2.gz	CVQUKSXLPMUVED-HOFJZWJUSA-N	2	2	370.449	3.649	10	30		FHEELP