smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(=C([O-])c1cc(Br)ccc1Cl)c1cccs1	ZINC000052902931	214153697	/nfs/dbraw/zinc/15/36/97/214153697.db2.gz	VNISHLIDGLPLOT-SNVBAGLBSA-N	-1	3	340.629	4.654	10	30		EJEEHM
CCc1ccc(C([O-])=C(C#N)c2ccccc2Br)s1	ZINC000055333753	214309247	/nfs/dbraw/zinc/30/92/47/214309247.db2.gz	FHHYUBMVBMQJKK-GFCCVEGCSA-N	-1	3	334.238	4.563	10	30		EJEEHM
CCCCCCCOc1ccc(OC(=O)c2ccc([O-])cc2)cc1	ZINC000101005928	219113713	/nfs/dbraw/zinc/11/37/13/219113713.db2.gz	LSFVISCFNQNTIO-UHFFFAOYSA-N	-1	3	328.408	4.961	10	30		EJEEHM
CC[C@@H](Nc1ccc(C#N)cc1)c1cc(Br)ccc1[O-]	ZINC000019951259	212089222	/nfs/dbraw/zinc/08/92/22/212089222.db2.gz	IFWVPKXXADEXLH-OAHLLOKOSA-N	-1	3	331.213	4.590	10	30		EJEEHM
CC/C(=N/[O-])c1ccc(OCc2sccc2Br)cc1	ZINC000104184387	219356845	/nfs/dbraw/zinc/35/68/45/219356845.db2.gz	XVKKFONTYOZMHT-SSZFMOIBSA-N	-1	3	340.242	4.678	10	30		EJEEHM
CC[C@H](Nc1ccc(C#N)cc1)c1cc(Br)ccc1[O-]	ZINC000019951263	212089852	/nfs/dbraw/zinc/08/98/52/212089852.db2.gz	IFWVPKXXADEXLH-HNNXBMFYSA-N	-1	3	331.213	4.590	10	30		EJEEHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)C1C(=O)C2=O	ZINC000014774001	563982928	/nfs/dbraw/zinc/98/29/28/563982928.db2.gz	QDFALZMZLBCVCD-HXUWFJFHSA-N	-1	3	330.424	4.697	10	30	biogenic	EJEEHM
CC(C)c1cc2c(c([O-])c1O)[C@@]1(C)CCCC(C)(C)C1C(=O)C2=O	ZINC000014774001	563982929	/nfs/dbraw/zinc/98/29/29/563982929.db2.gz	QDFALZMZLBCVCD-HXUWFJFHSA-N	-1	3	330.424	4.697	10	30	biogenic	EJEEHM
CC[C@@H](Nc1ccccc1C#N)c1cc(Br)ccc1[O-]	ZINC000019921655	212083467	/nfs/dbraw/zinc/08/34/67/212083467.db2.gz	QCYNOBMXUGBWCV-CQSZACIVSA-N	-1	3	331.213	4.590	10	30		EJEEHM
CCCCCCCCCCC(=O)Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000198557823	564026556	/nfs/dbraw/zinc/02/65/56/564026556.db2.gz	UALDHBOSZYOIKF-UHFFFAOYSA-N	-1	3	344.455	4.703	10	30		EJEEHM
CC[C@@H](Nc1cccc(C#N)c1)c1cc(Br)ccc1[O-]	ZINC000019922206	212084066	/nfs/dbraw/zinc/08/40/66/212084066.db2.gz	RWVYAGVTXGCWRI-OAHLLOKOSA-N	-1	3	331.213	4.590	10	30		EJEEHM
C#Cc1cccc(N[C@H](CC)c2cc(Br)ccc2[O-])c1	ZINC000019876938	212078862	/nfs/dbraw/zinc/07/88/62/212078862.db2.gz	ATWMLDCNPRZNMZ-MRXNPFEDSA-N	-1	3	330.225	4.699	10	30		EJEEHM
CCOC(=O)c1sc(/N=C/c2c([O-])ccc3ccccc32)cc1C	ZINC000095351693	218285454	/nfs/dbraw/zinc/28/54/54/218285454.db2.gz	MWHFHBMDNXSTEV-RGVLZGJSSA-N	-1	3	339.416	4.843	10	30		EJEEHM
C#Cc1cccc(N[C@@H](CC)c2cc(Br)ccc2[O-])c1	ZINC000019876939	212078193	/nfs/dbraw/zinc/07/81/93/212078193.db2.gz	ATWMLDCNPRZNMZ-INIZCTEOSA-N	-1	3	330.225	4.699	10	30		EJEEHM
CCOc1cc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)ccc1[O-]	ZINC000100223647	219095069	/nfs/dbraw/zinc/09/50/69/219095069.db2.gz	JGGRGQRKLYPVMW-HZHRSRAPSA-N	-1	3	345.398	4.773	10	30		EJEEHM
CCCC[C@@]12CC(=O)C(Br)=C1c1ccc([O-])cc1CC2	ZINC000003948227	210093866	/nfs/dbraw/zinc/09/38/66/210093866.db2.gz	QKHNOAHBFHKXDG-QGZVFWFLSA-N	-1	3	335.241	4.594	10	30		EJEEHM
CC[C@H](Nc1ccccc1C#N)c1cc(Br)ccc1[O-]	ZINC000019921657	212083944	/nfs/dbraw/zinc/08/39/44/212083944.db2.gz	QCYNOBMXUGBWCV-AWEZNQCLSA-N	-1	3	331.213	4.590	10	30		EJEEHM
O=[N+]([O-])c1cc(/C=N/c2cccc3c([O-])cccc23)ccc1Cl	ZINC000100548897	219102265	/nfs/dbraw/zinc/10/22/65/219102265.db2.gz	NNIXUIZSSWVKSX-VXLYETTFSA-N	-1	3	326.739	4.858	10	30		EJEEHM
C=CCSc1ccccc1[N-]C(=O)c1nc(Cl)ccc1Cl	ZINC000037976930	213179641	/nfs/dbraw/zinc/17/96/41/213179641.db2.gz	BHIJCEMUUXREFJ-UHFFFAOYSA-N	-1	3	339.247	4.919	10	30		EJEEHM
CC[C@H](Nc1cccc(C#N)c1)c1cc(Br)ccc1[O-]	ZINC000019922208	212083763	/nfs/dbraw/zinc/08/37/63/212083763.db2.gz	RWVYAGVTXGCWRI-HNNXBMFYSA-N	-1	3	331.213	4.590	10	30		EJEEHM