smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)s1	ZINC000166171215	339053090	/nfs/dbraw/zinc/05/30/90/339053090.db2.gz	DQCHQQWSLWELQP-INIZCTEOSA-N	1	3	306.519	4.010	10	0		DIAEHO
C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(Cl)s1	ZINC000036992052	340729503	/nfs/dbraw/zinc/72/95/03/340729503.db2.gz	BYKCQXLAWIFPOC-GFCCVEGCSA-N	1	3	321.877	4.116	10	0		DIAEHO
Cc1ccc([C@H](C)NC/C=C\C[NH2+][C@@H](C)c2ccc(C)o2)o1	ZINC000348258392	335568498	/nfs/dbraw/zinc/56/84/98/335568498.db2.gz	AZVDAIFRFAFHIS-XFCCUVRLSA-N	1	3	302.418	4.047	10	0		DIAEHO
Cc1cccc2c(NC3CC[NH+](C4CCCC4)CC3)ccnc12	ZINC000301696840	336324103	/nfs/dbraw/zinc/32/41/03/336324103.db2.gz	ZGQNRBYVTJXUGC-UHFFFAOYSA-N	1	3	309.457	4.362	10	0		DIAEHO
C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000020021071	182179822	/nfs/dbraw/zinc/17/98/22/182179822.db2.gz	MZOWZVUWXZDVCI-NSHDSACASA-N	1	3	303.277	4.232	10	0		DIAEHO
Cc1nc2ccccc2c(N2CCC([N@H+]3CCC[C@H]3C)CC2)c1C	ZINC000302059526	336346092	/nfs/dbraw/zinc/34/60/92/336346092.db2.gz	BXEMOUPYKAGJTJ-OAHLLOKOSA-N	1	3	323.484	4.305	10	0		DIAEHO
Cc1nc2ccccc2c(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1C	ZINC000302059526	336346093	/nfs/dbraw/zinc/34/60/93/336346093.db2.gz	BXEMOUPYKAGJTJ-OAHLLOKOSA-N	1	3	323.484	4.305	10	0		DIAEHO
Cc1ccc([C@@H](C)[NH2+]C/C=C/CN[C@@H](C)c2ccc(C)o2)o1	ZINC000182572256	525720222	/nfs/dbraw/zinc/72/02/22/525720222.db2.gz	AZVDAIFRFAFHIS-AXHPFZFWSA-N	1	3	302.418	4.047	10	0		DIAEHO
Cc1ccc([C@@H](C)NC/C=C/C[NH2+][C@@H](C)c2ccc(C)o2)o1	ZINC000182572256	525720233	/nfs/dbraw/zinc/72/02/33/525720233.db2.gz	AZVDAIFRFAFHIS-AXHPFZFWSA-N	1	3	302.418	4.047	10	0		DIAEHO
[NH3+]Cc1ccccc1CN(Cc1ccccc1)Cc1ccccc1	ZINC000057660814	184044872	/nfs/dbraw/zinc/04/48/72/184044872.db2.gz	GZUXVMUUQJBFNR-UHFFFAOYSA-N	1	3	316.448	4.348	10	0		DIAEHO
CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000128510879	332012825	/nfs/dbraw/zinc/01/28/25/332012825.db2.gz	AWSZDMAZMJWGAN-WFASDCNBSA-N	1	3	302.384	4.072	10	0		DIAEHO
C[NH2+]CCC1CCN(Cc2sc3ccccc3c2Cl)CC1	ZINC000070189939	340989672	/nfs/dbraw/zinc/98/96/72/340989672.db2.gz	QWKHKFOJOWAEOT-UHFFFAOYSA-N	1	3	322.905	4.376	10	0		DIAEHO
CC(C)CCCCCCCCCCOCCC[NH2+]CCCN	ZINC000005758151	181281510	/nfs/dbraw/zinc/28/15/10/181281510.db2.gz	YZGGABQGIYPLRM-UHFFFAOYSA-N	1	3	314.558	4.498	10	0		DIAEHO
Cc1ccc([C@H](C)NC/C=C/C[NH2+][C@@H](C)c2ccc(C)o2)o1	ZINC000182572273	525914853	/nfs/dbraw/zinc/91/48/53/525914853.db2.gz	AZVDAIFRFAFHIS-DKLOGILVSA-N	1	3	302.418	4.047	10	0		DIAEHO
C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000020021068	182179566	/nfs/dbraw/zinc/17/95/66/182179566.db2.gz	MZOWZVUWXZDVCI-LLVKDONJSA-N	1	3	303.277	4.232	10	0		DIAEHO
Cc1nc2ccccc2c(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1C	ZINC000302059525	336346065	/nfs/dbraw/zinc/34/60/65/336346065.db2.gz	BXEMOUPYKAGJTJ-HNNXBMFYSA-N	1	3	323.484	4.305	10	0		DIAEHO
Cc1nc2ccccc2c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1C	ZINC000302059525	336346066	/nfs/dbraw/zinc/34/60/66/336346066.db2.gz	BXEMOUPYKAGJTJ-HNNXBMFYSA-N	1	3	323.484	4.305	10	0		DIAEHO
CC(C)(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)s1	ZINC000166171330	339053106	/nfs/dbraw/zinc/05/31/06/339053106.db2.gz	DQCHQQWSLWELQP-MRXNPFEDSA-N	1	3	306.519	4.010	10	0		DIAEHO
CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000128510688	332012766	/nfs/dbraw/zinc/01/27/66/332012766.db2.gz	AWSZDMAZMJWGAN-SWLSCSKDSA-N	1	3	302.384	4.072	10	0		DIAEHO