smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S	ZINC000002889276	205971358	/nfs/dbraw/zinc/97/13/58/205971358.db2.gz	ZLEPKZCHLSIXPY-GXDHUFHOSA-N	-2	1	382.397	2.458	50	30		GEEAML
O=C([O-])COc1c(I)cc(Br)cc1/C=N/[O-]	ZINC000002761742	531505943	/nfs/dbraw/zinc/50/59/43/531505943.db2.gz	YPEVQDNQCRDEOS-KGVSQERTSA-N	-2	1	399.966	2.325	50	30		GEEAML
C=CCN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000016225628	570249325	/nfs/dbraw/zinc/24/93/25/570249325.db2.gz	LEEDAAQGAMPLNL-UVIKPUKZSA-N	-2	1	390.417	2.200	50	30		GEEAML
C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)[N-]C1=S	ZINC000009109452	206246256	/nfs/dbraw/zinc/24/62/56/206246256.db2.gz	NEBBYAXOOGYDDZ-UVTDQMKNSA-N	-2	1	382.397	2.458	50	30		GEEAML
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2ccccc2Cl)c([O-])c2ccccc21	ZINC000100353801	534667922	/nfs/dbraw/zinc/66/79/22/534667922.db2.gz	QJRMZHVHEKNYIB-UHFFFAOYSA-N	-2	1	395.806	2.200	50	30		GEEAML
C=CCN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000016225630	570249315	/nfs/dbraw/zinc/24/93/15/570249315.db2.gz	LEEDAAQGAMPLNL-BKLZJWBFSA-N	-2	1	390.417	2.200	50	30		GEEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1[O-]	ZINC000008671549	570536886	/nfs/dbraw/zinc/53/68/86/570536886.db2.gz	MFOZQRIVAZORBG-TVYFDWKESA-N	-2	1	388.361	2.251	50	30		GEEAML
C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000012343709	570237209	/nfs/dbraw/zinc/23/72/09/570237209.db2.gz	XGKVVIPCBCRECJ-UVTDQMKNSA-N	-2	1	382.397	2.458	50	30		GEEAML
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1Cl	ZINC000225512480	645388905	/nfs/dbraw/zinc/38/89/05/645388905.db2.gz	CTWAVBYJOOCPNH-UHFFFAOYSA-N	-2	1	380.765	2.439	50	30		GEEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1[O-]	ZINC000006974986	527637097	/nfs/dbraw/zinc/63/70/97/527637097.db2.gz	FPVSTMRVJMXSIN-QOSBVPTNSA-N	-2	1	388.361	2.251	50	30		GEEAML
O=C([O-])COc1c(I)cc(Br)cc1C=N[O-]	ZINC000252639995	645566295	/nfs/dbraw/zinc/56/62/95/645566295.db2.gz	YPEVQDNQCRDEOS-UHFFFAOYSA-N	-2	1	399.966	2.325	50	30		GEEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1[O-]	ZINC000008671551	570537067	/nfs/dbraw/zinc/53/70/67/570537067.db2.gz	MFOZQRIVAZORBG-QOSBVPTNSA-N	-2	1	388.361	2.251	50	30		GEEAML
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000001202918	212101016	/nfs/dbraw/zinc/10/10/16/212101016.db2.gz	XGKVVIPCBCRECJ-GXDHUFHOSA-N	-2	1	382.397	2.458	50	30		GEEAML