smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1OC	ZINC000179989180	495812544	/nfs/dbraw/zinc/81/25/44/495812544.db2.gz	MKQDXPAVAGFRSY-OAHLLOKOSA-N	2	1	357.454	3.047	10	10		FGCEMP
COc1cc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1OC	ZINC000179989165	495812636	/nfs/dbraw/zinc/81/26/36/495812636.db2.gz	MKQDXPAVAGFRSY-HNNXBMFYSA-N	2	1	357.454	3.047	10	10		FGCEMP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]1	ZINC000092813178	494759123	/nfs/dbraw/zinc/75/91/23/494759123.db2.gz	RQBLHAYHQCKBGL-HXUWFJFHSA-N	2	1	366.509	3.161	10	10		FGCEMP
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]1	ZINC000092813178	494759130	/nfs/dbraw/zinc/75/91/30/494759130.db2.gz	RQBLHAYHQCKBGL-HXUWFJFHSA-N	2	1	366.509	3.161	10	10		FGCEMP
C[N@H+](Cc1ccccc1O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000179572014	495645429	/nfs/dbraw/zinc/64/54/29/495645429.db2.gz	LVFYWUPHILFZOF-JOCHJYFZSA-N	2	1	354.494	3.270	10	10		FGCEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O	ZINC000180120159	705728711	/nfs/dbraw/zinc/72/87/11/705728711.db2.gz	PDKYJUHFLZUVNP-OAHLLOKOSA-N	2	1	350.260	3.324	10	10		FGCEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O	ZINC000180120159	705728713	/nfs/dbraw/zinc/72/87/13/705728713.db2.gz	PDKYJUHFLZUVNP-OAHLLOKOSA-N	2	1	350.260	3.324	10	10		FGCEMP
C[N@H+](Cc1ccccc1O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000179571997	495645903	/nfs/dbraw/zinc/64/59/03/495645903.db2.gz	LVFYWUPHILFZOF-QFIPXVFZSA-N	2	1	354.494	3.270	10	10		FGCEMP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]1	ZINC000092813177	494759597	/nfs/dbraw/zinc/75/95/97/494759597.db2.gz	RQBLHAYHQCKBGL-FQEVSTJZSA-N	2	1	366.509	3.161	10	10		FGCEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]1	ZINC000092813177	494759603	/nfs/dbraw/zinc/75/96/03/494759603.db2.gz	RQBLHAYHQCKBGL-FQEVSTJZSA-N	2	1	366.509	3.161	10	10		FGCEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O	ZINC000180120137	705728690	/nfs/dbraw/zinc/72/86/90/705728690.db2.gz	PDKYJUHFLZUVNP-HNNXBMFYSA-N	2	1	350.260	3.324	10	10		FGCEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O	ZINC000180120137	705728692	/nfs/dbraw/zinc/72/86/92/705728692.db2.gz	PDKYJUHFLZUVNP-HNNXBMFYSA-N	2	1	350.260	3.324	10	10		FGCEMP