smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(NCC2CCCCC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218557346	370211373	/nfs/dbraw/zinc/21/13/73/370211373.db2.gz	HROGGIZXHREIDO-UHFFFAOYSA-N	2	2	275.400	2.256	50	70		CEIALP
Cc1ccccc1CCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000218749865	538890133	/nfs/dbraw/zinc/89/01/33/538890133.db2.gz	QGVREYPZTIVHSI-UHFFFAOYSA-N	2	2	297.406	2.227	50	70		CEIALP
CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(C)[nH+]c3ccccn31)C2	ZINC000217151521	400306694	/nfs/dbraw/zinc/30/66/94/400306694.db2.gz	DFAUDAYIPVYFQA-HALDLXJZSA-N	2	2	285.391	2.500	50	70		CEIALP
CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c(C)[nH+]c3ccccn31)C2	ZINC000217151521	400306697	/nfs/dbraw/zinc/30/66/97/400306697.db2.gz	DFAUDAYIPVYFQA-HALDLXJZSA-N	2	2	285.391	2.500	50	70		CEIALP
Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160910136	367043065	/nfs/dbraw/zinc/04/30/65/367043065.db2.gz	IZYZXFMFZVNLJV-OAHLLOKOSA-N	2	2	299.422	2.366	50	70		CEIALP
Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160910136	367043066	/nfs/dbraw/zinc/04/30/66/367043066.db2.gz	IZYZXFMFZVNLJV-OAHLLOKOSA-N	2	2	299.422	2.366	50	70		CEIALP
Nc1nc(N2CCC3(CCCC3)C2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218094703	303502853	/nfs/dbraw/zinc/50/28/53/303502853.db2.gz	QOIUMGRRNSUKPM-UHFFFAOYSA-N	2	2	287.411	2.034	50	70		CEIALP
CC(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cn1	ZINC000217551258	370196787	/nfs/dbraw/zinc/19/67/87/370196787.db2.gz	YUIVLWJFDBPXDW-ZSHCYNCHSA-N	2	2	288.439	2.372	50	70		CEIALP
CC(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cn1	ZINC000217551258	370196791	/nfs/dbraw/zinc/19/67/91/370196791.db2.gz	YUIVLWJFDBPXDW-ZSHCYNCHSA-N	2	2	288.439	2.372	50	70		CEIALP
CC(C)n1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C	ZINC000217378990	370195662	/nfs/dbraw/zinc/19/56/62/370195662.db2.gz	RQFSDPUELXEQPJ-FOLVSLTJSA-N	2	2	276.428	2.236	50	70		CEIALP
Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C	ZINC000218679497	370211410	/nfs/dbraw/zinc/21/14/10/370211410.db2.gz	MAJDNDKDUZECFF-LBPRGKRZSA-N	2	2	272.352	2.081	50	70		CEIALP
Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160910268	367043042	/nfs/dbraw/zinc/04/30/42/367043042.db2.gz	IZYZXFMFZVNLJV-HNNXBMFYSA-N	2	2	299.422	2.366	50	70		CEIALP
Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160910268	367043044	/nfs/dbraw/zinc/04/30/44/367043044.db2.gz	IZYZXFMFZVNLJV-HNNXBMFYSA-N	2	2	299.422	2.366	50	70		CEIALP
Cc1[nH+]ccn1[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C	ZINC000218679581	370211037	/nfs/dbraw/zinc/21/10/37/370211037.db2.gz	MAJDNDKDUZECFF-GFCCVEGCSA-N	2	2	272.352	2.081	50	70		CEIALP
C[N@H+](CCn1cc[nH+]c1)Cc1nc2c(s1)CCCC2	ZINC000159866658	366955159	/nfs/dbraw/zinc/95/51/59/366955159.db2.gz	VTYOEFJEPZSQAM-UHFFFAOYSA-N	2	2	276.409	2.350	50	70		CEIALP
C[N@@H+](CCn1cc[nH+]c1)Cc1nc2c(s1)CCCC2	ZINC000159866658	366955169	/nfs/dbraw/zinc/95/51/69/366955169.db2.gz	VTYOEFJEPZSQAM-UHFFFAOYSA-N	2	2	276.409	2.350	50	70		CEIALP