smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)c(O)c(CN2CC3(C2)NC(=O)NC3=O)c1	ZINC000897906347	586381434	/nfs/dbraw/zinc/38/14/34/586381434.db2.gz	QYDMGOLPWNHZAS-UHFFFAOYSA-N	-2	0	340.177	0.857	20	10		ECCDRL
COCCn1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000273545994	436764699	/nfs/dbraw/zinc/76/46/99/436764699.db2.gz	UOEJDFVQZWIRRM-UHFFFAOYSA-N	-2	0	342.333	0.944	20	10		ECCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(C)n2)ccc1[O-]	ZINC000790408279	578873380	/nfs/dbraw/zinc/87/33/80/578873380.db2.gz	VECKJMXNIYBRFQ-UHFFFAOYSA-N	-2	0	346.390	0.133	20	10		ECCDRL
COCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cn1	ZINC000776433567	579281511	/nfs/dbraw/zinc/28/15/11/579281511.db2.gz	WJYWJVGHUYKRRY-UHFFFAOYSA-N	-2	0	341.345	0.734	20	10		ECCDRL
CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c(=O)[n-]2)NC(=O)[O-])cc1	ZINC000828064119	588155901	/nfs/dbraw/zinc/15/59/01/588155901.db2.gz	LNTLAUDVVHSWPE-SNVBAGLBSA-N	-2	0	334.336	0.315	20	10		ECCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccoc2)ccc1[O-]	ZINC000795354152	578608466	/nfs/dbraw/zinc/60/84/66/578608466.db2.gz	PXEXTMHFMNCYOL-UHFFFAOYSA-N	-2	0	332.359	0.694	20	10		ECCDRL
O=C(CN1CC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837447	587137846	/nfs/dbraw/zinc/13/78/46/587137846.db2.gz	QICCHHCUNZPBNL-UHFFFAOYSA-N	-2	0	332.143	0.867	20	10		ECCDRL
Cc1[nH]nc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1C(N)=O	ZINC000821191990	587577798	/nfs/dbraw/zinc/57/77/98/587577798.db2.gz	QUDMBEBNBDJJHW-UHFFFAOYSA-N	-2	0	332.288	0.602	20	10		ECCDRL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c[nH]1	ZINC000751189678	579364315	/nfs/dbraw/zinc/36/43/15/579364315.db2.gz	PEFZXTAWFFHJNW-UHFFFAOYSA-N	-3	0	326.286	0.918	20	10		ECCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccco2)ccc1[O-]	ZINC000790408411	578873444	/nfs/dbraw/zinc/87/34/44/578873444.db2.gz	YGDSNQFCWLBYTJ-UHFFFAOYSA-N	-2	0	332.359	0.694	20	10		ECCDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000832992165	588512942	/nfs/dbraw/zinc/51/29/42/588512942.db2.gz	ZSKJTNZCBLIMFD-UHFFFAOYSA-N	-3	0	341.301	0.621	20	10		ECCDRL
Cn1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(N)=O	ZINC000775288446	579264928	/nfs/dbraw/zinc/26/49/28/579264928.db2.gz	MAIQCFXMGKZEEN-UHFFFAOYSA-N	-2	0	340.317	0.539	20	10		ECCDRL
CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)[nH][n-]2)NC(=O)[O-])cc1	ZINC000828056949	588155718	/nfs/dbraw/zinc/15/57/18/588155718.db2.gz	WZMRCVXSSZOHHJ-GFCCVEGCSA-N	-2	0	333.348	0.053	20	10		ECCDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000833275402	588533085	/nfs/dbraw/zinc/53/30/85/588533085.db2.gz	XZIAFWZZWLVHDN-UHFFFAOYSA-N	-3	0	341.301	0.172	20	10		ECCDRL
Cn1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000757659665	579463124	/nfs/dbraw/zinc/46/31/24/579463124.db2.gz	ZEUVHRVINVZVNO-UHFFFAOYSA-N	-2	0	340.313	0.928	20	10		ECCDRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000753015345	579393476	/nfs/dbraw/zinc/39/34/76/579393476.db2.gz	MBVVGGSYDQAYMV-UHFFFAOYSA-N	-2	0	347.299	0.841	20	10		ECCDRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000821157586	587575679	/nfs/dbraw/zinc/57/56/79/587575679.db2.gz	PEQHERXBJXBDHQ-UHFFFAOYSA-N	-2	0	347.299	0.841	20	10		ECCDRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000753020511	579393474	/nfs/dbraw/zinc/39/34/74/579393474.db2.gz	SCDYBGOXGZFVLG-UHFFFAOYSA-N	-2	0	346.315	0.414	20	10		ECCDRL
CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)[nH][n-]2)NC(=O)[O-])cc1	ZINC000828056950	588155646	/nfs/dbraw/zinc/15/56/46/588155646.db2.gz	WZMRCVXSSZOHHJ-LBPRGKRZSA-N	-2	0	333.348	0.053	20	10		ECCDRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000912526506	609965307	/nfs/dbraw/zinc/96/53/07/609965307.db2.gz	LCRCSQULLCDZLT-UHFFFAOYSA-N	-2	0	341.301	0.401	20	10		ECCDRL
COCCn1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000747790893	579854710	/nfs/dbraw/zinc/85/47/10/579854710.db2.gz	FXIZTZOQCDEFBY-UHFFFAOYSA-N	-2	0	341.345	0.734	20	10		ECCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]nc2C)ccc1[O-]	ZINC000790406392	578873386	/nfs/dbraw/zinc/87/33/86/578873386.db2.gz	OXYJRVCFAIBVNK-UHFFFAOYSA-N	-2	0	346.390	0.133	20	10		ECCDRL
CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c(=O)[n-]2)NC(=O)[O-])cc1	ZINC000828064118	588155918	/nfs/dbraw/zinc/15/59/18/588155918.db2.gz	LNTLAUDVVHSWPE-JTQLQIEISA-N	-2	0	334.336	0.315	20	10		ECCDRL