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@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000248995618	334324219	/nfs/dbraw/zinc/32/42/19/334324219.db2.gz	OXJPSFVVMPGHNX-ZMSDIMECSA-N	2	2	294.402	3.605	10	30		CHEELP
CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	ZINC000109194307	186245364	/nfs/dbraw/zinc/24/53/64/186245364.db2.gz	RWZFAJSTVSQTEY-JKSUJKDBSA-N	2	2	252.446	3.563	10	30		CHEELP
CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	ZINC000109194307	186245366	/nfs/dbraw/zinc/24/53/66/186245366.db2.gz	RWZFAJSTVSQTEY-JKSUJKDBSA-N	2	2	252.446	3.563	10	30		CHEELP
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000192913877	327879102	/nfs/dbraw/zinc/87/91/02/327879102.db2.gz	OXJPSFVVMPGHNX-ZOBUZTSGSA-N	2	2	294.402	3.605	10	30		CHEELP
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000248995614	334324221	/nfs/dbraw/zinc/32/42/21/334324221.db2.gz	OXJPSFVVMPGHNX-UXLLHSPISA-N	2	2	294.402	3.605	10	30		CHEELP
C=CCCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000193338728	265386976	/nfs/dbraw/zinc/38/69/76/265386976.db2.gz	DYOIFQXQMKNJRW-INIZCTEOSA-N	2	2	275.440	3.829	10	30		CHEELP
C=CCCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000193338728	265386980	/nfs/dbraw/zinc/38/69/80/265386980.db2.gz	DYOIFQXQMKNJRW-INIZCTEOSA-N	2	2	275.440	3.829	10	30		CHEELP
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000192913854	327879044	/nfs/dbraw/zinc/87/90/44/327879044.db2.gz	OXJPSFVVMPGHNX-YQQAZPJKSA-N	2	2	294.402	3.605	10	30		CHEELP
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000189914236	262177218	/nfs/dbraw/zinc/17/72/18/262177218.db2.gz	NAYGLVATYCCNDQ-OAHLLOKOSA-N	2	2	296.418	3.853	10	30		CHEELP
C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C	ZINC000090050780	334356400	/nfs/dbraw/zinc/35/64/00/334356400.db2.gz	HWHZDBQJGGQEQH-LSDHHAIUSA-N	2	2	285.435	3.696	10	30		CHEELP
C=CC[C@H](C)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C	ZINC000090050784	334356278	/nfs/dbraw/zinc/35/62/78/334356278.db2.gz	HWHZDBQJGGQEQH-GJZGRUSLSA-N	2	2	285.435	3.696	10	30		CHEELP
CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1	ZINC000109194309	186245192	/nfs/dbraw/zinc/24/51/92/186245192.db2.gz	RWZFAJSTVSQTEY-HOTGVXAUSA-N	2	2	252.446	3.563	10	30		CHEELP
CCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1	ZINC000109194309	186245193	/nfs/dbraw/zinc/24/51/93/186245193.db2.gz	RWZFAJSTVSQTEY-HOTGVXAUSA-N	2	2	252.446	3.563	10	30		CHEELP
C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C	ZINC000090050781	334356302	/nfs/dbraw/zinc/35/63/02/334356302.db2.gz	HWHZDBQJGGQEQH-HUUCEWRRSA-N	2	2	285.435	3.696	10	30		CHEELP
C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000189914216	262177211	/nfs/dbraw/zinc/17/72/11/262177211.db2.gz	NAYGLVATYCCNDQ-HNNXBMFYSA-N	2	2	296.418	3.853	10	30		CHEELP
C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C	ZINC000181742574	329236297	/nfs/dbraw/zinc/23/62/97/329236297.db2.gz	FMLXGUMDSYDGRI-HNNXBMFYSA-N	2	2	299.462	3.547	10	30		CHEELP
C=CCCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000193338717	333248423	/nfs/dbraw/zinc/24/84/23/333248423.db2.gz	DYOIFQXQMKNJRW-MRXNPFEDSA-N	2	2	275.440	3.829	10	30		CHEELP
C=CCCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000193338717	333248424	/nfs/dbraw/zinc/24/84/24/333248424.db2.gz	DYOIFQXQMKNJRW-MRXNPFEDSA-N	2	2	275.440	3.829	10	30		CHEELP
C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C	ZINC000090050785	334356407	/nfs/dbraw/zinc/35/64/07/334356407.db2.gz	HWHZDBQJGGQEQH-CABCVRRESA-N	2	2	285.435	3.696	10	30		CHEELP