smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2c([O-])c(C[NH2+]C3CCOCC3)ccc2c1C[NH2+]C1CCOCC1	ZINC000003784962	206292969	/nfs/dbraw/zinc/29/29/69/206292969.db2.gz	KHSZKSPROUCQTK-UHFFFAOYSA-N	0	3	386.492	2.788	10	10		GFCEHN
COc1cc(Br)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1O	ZINC000128499284	551349859	/nfs/dbraw/zinc/34/98/59/551349859.db2.gz	XNHCJZDGRNUCRG-GFCCVEGCSA-N	0	3	381.274	2.667	10	10		GFCEHN
CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccc(OC)cc1)CN2	ZINC000025998546	206301649	/nfs/dbraw/zinc/30/16/49/206301649.db2.gz	JXRPMBFHIKMFHG-UHFFFAOYSA-N	0	3	384.440	2.875	10	10		GFCEHN
COc1cc(Br)cc(CN2CCC[C@H](Cn3cncn3)C2)c1O	ZINC000128499039	551349617	/nfs/dbraw/zinc/34/96/17/551349617.db2.gz	XNHCJZDGRNUCRG-LBPRGKRZSA-N	0	3	381.274	2.667	10	10		GFCEHN
C[N@H+](Cc1cc(Br)ccc1[O-])C1CCN(CCn2cccn2)CC1	ZINC000121188637	551229243	/nfs/dbraw/zinc/22/92/43/551229243.db2.gz	FSQVBYLUHHVISG-UHFFFAOYSA-N	0	3	393.329	2.948	10	10		GFCEHN
C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCN(CCn2cccn2)CC1	ZINC000121188637	551229244	/nfs/dbraw/zinc/22/92/44/551229244.db2.gz	FSQVBYLUHHVISG-UHFFFAOYSA-N	0	3	393.329	2.948	10	10		GFCEHN
COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1	ZINC000013779784	209236251	/nfs/dbraw/zinc/23/62/51/209236251.db2.gz	OCFFXDBBLHVFSW-QFIPXVFZSA-N	0	3	395.503	2.620	10	10		GFCEHN
Cn1cc(CN2CCCN(Cc3cc(Br)ccc3O)CC2)cn1	ZINC000121538496	551236456	/nfs/dbraw/zinc/23/64/56/551236456.db2.gz	SKYCPGRFMAMMFP-UHFFFAOYSA-N	0	3	379.302	2.596	10	10		GFCEHN
CC(C)c1cc(C(=O)N2Cc3ccc(N4CC[NH2+]CC4)cc3C2)c([O-])cc1O	ZINC000058582554	535359078	/nfs/dbraw/zinc/35/90/78/535359078.db2.gz	YCAYPVJEOCBCCR-UHFFFAOYSA-N	0	3	381.476	2.787	10	10		GFCEHN
CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1Cc1ccccc1Cl	ZINC000299798323	209090079	/nfs/dbraw/zinc/09/00/79/209090079.db2.gz	SEZNTYLBWKCONV-MJGOQNOKSA-N	0	3	387.911	2.914	10	10		GFCEHN
CC(C)N1C(=O)N(C)C2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)C1=O	ZINC000014541772	207023682	/nfs/dbraw/zinc/02/36/82/207023682.db2.gz	VKMPVSLHNXAOGR-UHFFFAOYSA-N	0	3	384.524	2.924	10	10		GFCEHN
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1CCOC	ZINC000120919086	677398478	/nfs/dbraw/zinc/39/84/78/677398478.db2.gz	SLGDTJSMTSISHI-OAHLLOKOSA-N	0	3	387.318	2.706	10	10		GFCEHN
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CCN1CCOC	ZINC000120919249	677398437	/nfs/dbraw/zinc/39/84/37/677398437.db2.gz	SLGDTJSMTSISHI-HNNXBMFYSA-N	0	3	387.318	2.706	10	10		GFCEHN