smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Br)c1[O-]	ZINC000003543717	204012568	/nfs/dbraw/zinc/01/25/68/204012568.db2.gz	UAYIYPULTASYHN-RDFMZFSFSA-N	-2	3	381.178	2.392	50	30		GEEAHL
C=C(C)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358183	518605330	/nfs/dbraw/zinc/60/53/30/518605330.db2.gz	RLMRMOABXKHHAT-LJQANCHMSA-N	-2	3	389.427	2.184	50	30		GEEAHL
C=C(C)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358182	518606032	/nfs/dbraw/zinc/60/60/32/518606032.db2.gz	RLMRMOABXKHHAT-IBGZPJMESA-N	-2	3	389.427	2.184	50	30		GEEAHL
C=CCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000018210629	570810802	/nfs/dbraw/zinc/81/08/02/570810802.db2.gz	LMQKULJLEVBBRK-HNNXBMFYSA-N	-2	3	375.450	2.050	50	30		GEEAHL
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O	ZINC000004680194	531516127	/nfs/dbraw/zinc/51/61/27/531516127.db2.gz	PYELENKDPBPURB-POHAHGRESA-N	-2	3	395.209	2.201	50	30		GEEAHL
O=C1CS/C(=N/N=C/c2cc(Br)cc(Br)c2[O-])[N-]1	ZINC000005065632	570409998	/nfs/dbraw/zinc/40/99/98/570409998.db2.gz	XNOWWTBMMKXRCZ-QLKAYGNNSA-N	-2	3	393.060	2.470	50	30		GEEAHL
CCOc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cc(Br)c1[O-]	ZINC000103651273	570887767	/nfs/dbraw/zinc/88/77/67/570887767.db2.gz	BAGSIYHXZIDVHV-GIDUJCDVSA-N	-2	3	385.243	2.358	50	30		GEEAHL
C=CCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000017057463	519155023	/nfs/dbraw/zinc/15/50/23/519155023.db2.gz	LMQKULJLEVBBRK-OAHLLOKOSA-N	-2	3	375.450	2.050	50	30		GEEAHL
CCOc1ccc(S(=O)(=O)[N-]c2cccc(/C(N)=N\[O-])c2)cc1OCC	ZINC000058061796	521211695	/nfs/dbraw/zinc/21/16/95/521211695.db2.gz	DUABQKIXCPMUCK-UHFFFAOYSA-N	-2	3	379.438	2.379	50	30		GEEAHL
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Br)c1[O-]	ZINC000034771088	521981447	/nfs/dbraw/zinc/98/14/47/521981447.db2.gz	UAYIYPULTASYHN-VQTKUKTRSA-N	-2	3	381.178	2.392	50	30		GEEAHL
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2cccc(Cl)c2)c([O-])c2ccccc21	ZINC000100353798	534668108	/nfs/dbraw/zinc/66/81/08/534668108.db2.gz	ZCFJUZVJKPXZOU-UHFFFAOYSA-N	-2	3	395.806	2.200	50	30		GEEAHL
C#CCOc1ccc([N+](=O)[O-])cc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000012372104	518331086	/nfs/dbraw/zinc/33/10/86/518331086.db2.gz	IACAEVTWZVYGBW-UHFFFAOYSA-N	-2	3	383.364	2.261	50	30		GEEAHL
O=C([O-])Cc1sc([N-]N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1O	ZINC000008671549	570536889	/nfs/dbraw/zinc/53/68/89/570536889.db2.gz	MFOZQRIVAZORBG-TVYFDWKESA-N	-2	3	388.361	2.251	50	30		GEEAHL
C=CCn1c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[n-]c1=S	ZINC000002439439	209170861	/nfs/dbraw/zinc/17/08/61/209170861.db2.gz	ZHKZDKAIBMZBNN-GFCCVEGCSA-N	-2	3	376.390	2.487	50	30		GEEAHL
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Br)c1[O-]	ZINC000003543719	531508119	/nfs/dbraw/zinc/50/81/19/531508119.db2.gz	UAYIYPULTASYHN-XGACYXMMSA-N	-2	3	381.178	2.392	50	30		GEEAHL
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Br)c1[O-]	ZINC000034771087	521981475	/nfs/dbraw/zinc/98/14/75/521981475.db2.gz	UAYIYPULTASYHN-NQHOJNORSA-N	-2	3	381.178	2.392	50	30		GEEAHL
O=C([O-])Cc1sc([N-]N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1O	ZINC000006974986	527637102	/nfs/dbraw/zinc/63/71/02/527637102.db2.gz	FPVSTMRVJMXSIN-QOSBVPTNSA-N	-2	3	388.361	2.251	50	30		GEEAHL
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000100353794	534667811	/nfs/dbraw/zinc/66/78/11/534667811.db2.gz	LIRGXTNFENASGU-UHFFFAOYSA-N	-2	3	395.806	2.200	50	30		GEEAHL
Cc1oc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)cc1S(=O)(=O)N1CCCC1	ZINC000048277728	570230336	/nfs/dbraw/zinc/23/03/36/570230336.db2.gz	JEDQZIHQCOXWIE-UHFFFAOYSA-N	-2	3	393.347	2.146	50	30		GEEAHL
O=C([O-])Cc1sc([N-]N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1O	ZINC000008671551	570537070	/nfs/dbraw/zinc/53/70/70/570537070.db2.gz	MFOZQRIVAZORBG-QOSBVPTNSA-N	-2	3	388.361	2.251	50	30		GEEAHL
O=c1[n-]c(=O)c(N=Cc2cc(Br)cc(Br)c2[O-])c[nH]1	ZINC000004589514	531515497	/nfs/dbraw/zinc/51/54/97/531515497.db2.gz	RIGAWSKNVGDBSJ-LZWSPWQCSA-N	-2	3	389.003	2.044	50	30		GEEAHL
C/C(=N\c1ncn(Cc2ccc(F)cc2Cl)n1)c1c([O-])[n-]c(=O)sc1=O	ZINC000101406658	518473245	/nfs/dbraw/zinc/47/32/45/518473245.db2.gz	VNHBZVCVSXOUNF-FBCYGCLPSA-N	-2	3	395.803	2.075	50	30		GEEAHL