smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1Cl	ZINC000032961969	569602698	/nfs/dbraw/zinc/60/26/98/569602698.db2.gz	XEFBUMQQCRXPCV-UHFFFAOYSA-N	-2	1	478.958	2.883	50	30		JFEAML
C=C(C)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036353836	569771592	/nfs/dbraw/zinc/77/15/92/569771592.db2.gz	JFGPIOYEDKECMQ-IBGZPJMESA-N	-2	1	450.333	2.808	50	30		JFEAML
C=CCN1C(=O)C(=Cc2cc(OC)c(OCC(=O)[O-])cc2Br)C(=O)[N-]C1=S	ZINC000033314385	518832840	/nfs/dbraw/zinc/83/28/40/518832840.db2.gz	ZGUBJISTOHDQEU-YHYXMXQVSA-N	-2	1	455.286	2.574	50	30		JFEAML
CCCCNC([O-])=NS(=O)(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000022589851	520554940	/nfs/dbraw/zinc/55/49/40/520554940.db2.gz	PQEHMRPJOSVODG-UHFFFAOYSA-N	-2	1	479.431	2.775	50	30		JFEAML
C=C(C)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036353838	569771629	/nfs/dbraw/zinc/77/16/29/569771629.db2.gz	JFGPIOYEDKECMQ-LJQANCHMSA-N	-2	1	450.333	2.808	50	30		JFEAML
N#Cc1cccnc1N1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)CC1	ZINC000036357656	569771902	/nfs/dbraw/zinc/77/19/02/569771902.db2.gz	XXUFVIZUCWPHGV-FQEVSTJZSA-N	-2	1	453.886	2.594	50	30		JFEAML
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2)CC1	ZINC000032985146	569608301	/nfs/dbraw/zinc/60/83/01/569608301.db2.gz	RHTGGFKSCMIMKL-UHFFFAOYSA-N	-2	1	483.525	2.909	50	30		JFEAML
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(F)c4)ccc3n2)CC1	ZINC000032985246	569608270	/nfs/dbraw/zinc/60/82/70/569608270.db2.gz	DGYAJVYXVGQFAC-UHFFFAOYSA-N	-2	1	483.525	2.909	50	30		JFEAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1	ZINC000009140151	526398114	/nfs/dbraw/zinc/39/81/14/526398114.db2.gz	JYPXLEOLLJJENV-UHFFFAOYSA-N	-2	1	481.446	2.862	50	30		JFEAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961974	569602681	/nfs/dbraw/zinc/60/26/81/569602681.db2.gz	XUTKLQWGDSYCQL-UHFFFAOYSA-N	-2	1	458.540	2.620	50	30		JFEAML
C=CCN1C(=O)C(=Cc2cc(OCC)c(OCC(=O)[O-])cc2Br)C(=O)[N-]C1=S	ZINC000016688172	556151811	/nfs/dbraw/zinc/15/18/11/556151811.db2.gz	FEXAVDMKAZVWCA-WDZFZDKYSA-N	-2	1	469.313	2.964	50	30		JFEAML
N#Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)CC1	ZINC000036357657	569771974	/nfs/dbraw/zinc/77/19/74/569771974.db2.gz	XXUFVIZUCWPHGV-HXUWFJFHSA-N	-2	1	453.886	2.594	50	30		JFEAML
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C#Cc4cccs4)c3)cc21	ZINC000023144515	556022958	/nfs/dbraw/zinc/02/29/58/556022958.db2.gz	HZOFTMULXUUAGV-UHFFFAOYSA-N	-2	1	468.512	2.759	50	30		JFEAML
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000025435875	556215308	/nfs/dbraw/zinc/21/53/08/556215308.db2.gz	KBQRUKJMJWAWQR-UHFFFAOYSA-N	-2	1	489.513	2.779	50	30		JFEAML