smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C=C(C#N)C(=O)[N-]OCC(N)=O)cc(-c2nn[n-]n2)n1C	ZINC000826235097	609295532	/nfs/dbraw/zinc/29/55/32/609295532.db2.gz	BOKNQBQZNBRKFH-OQFOIZHKSA-N	-2	3	330.308	-1.046	20	50		EAGDHL
Cc1c(C=C(C#N)C(=O)[N-]OCC(N)=O)cc(-c2nnn[n-]2)n1C	ZINC000826235097	609295531	/nfs/dbraw/zinc/29/55/31/609295531.db2.gz	BOKNQBQZNBRKFH-OQFOIZHKSA-N	-2	3	330.308	-1.046	20	50		EAGDHL
Cc1c(C=C(C#N)C(=O)[N-]OCC(N)=O)cc(-c2nn[n-]n2)n1C	ZINC000826235098	609295289	/nfs/dbraw/zinc/29/52/89/609295289.db2.gz	BOKNQBQZNBRKFH-YCRREMRBSA-N	-2	3	330.308	-1.046	20	50		EAGDHL
Cc1c(C=C(C#N)C(=O)[N-]OCC(N)=O)cc(-c2nnn[n-]2)n1C	ZINC000826235098	609295288	/nfs/dbraw/zinc/29/52/88/609295288.db2.gz	BOKNQBQZNBRKFH-YCRREMRBSA-N	-2	3	330.308	-1.046	20	50		EAGDHL
NC(=O)c1ccc(=NNC(=O)CN2CCN(C(=O)[O-])CC2=O)[n-]n1	ZINC000831234635	603803392	/nfs/dbraw/zinc/80/33/92/603803392.db2.gz	SOHIDEUBFCOTFI-UHFFFAOYSA-N	-2	3	337.296	-2.159	20	50		EAGDHL
O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cn1	ZINC000833275265	600679050	/nfs/dbraw/zinc/67/90/50/600679050.db2.gz	VCFFMZQSURCADE-UHFFFAOYSA-N	-3	3	333.326	-1.797	20	50		EAGDHL
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000833734201	605600369	/nfs/dbraw/zinc/60/03/69/605600369.db2.gz	NSZGTDREXPERPK-UHFFFAOYSA-N	-4	3	347.305	-1.030	20	50		EAGDHL
CNC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1	ZINC000833877243	605391589	/nfs/dbraw/zinc/39/15/89/605391589.db2.gz	NJOMFIVHSGHLSC-UHFFFAOYSA-N	-3	3	330.322	-1.377	20	50		EAGDHL
COCCN(CCNC(=O)N[N-]C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000833886206	605419454	/nfs/dbraw/zinc/41/94/54/605419454.db2.gz	QSPLZEDDFCJOEJ-UHFFFAOYSA-N	-2	3	328.329	-1.010	20	50		EAGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000833911119	605927238	/nfs/dbraw/zinc/92/72/38/605927238.db2.gz	UCUQIIGCZAGTLS-UHFFFAOYSA-N	-2	3	335.320	-1.027	20	50		EAGDHL
Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]NC(=O)CNC(=O)[O-])cnc21	ZINC000833938692	605457012	/nfs/dbraw/zinc/45/70/12/605457012.db2.gz	OLAZWLUUXOQCPN-UHFFFAOYSA-N	-2	3	336.264	-1.937	20	50		EAGDHL
O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1	ZINC000834064992	605392847	/nfs/dbraw/zinc/39/28/47/605392847.db2.gz	IYGXIUQLMPTKAK-UHFFFAOYSA-N	-4	3	347.305	-1.273	20	50		EAGDHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1	ZINC000834066828	605392652	/nfs/dbraw/zinc/39/26/52/605392652.db2.gz	WXMLQXJVKPFZQE-UHFFFAOYSA-N	-4	3	331.306	-1.109	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000834203813	605392902	/nfs/dbraw/zinc/39/29/02/605392902.db2.gz	DUBHTIDBLFPFTF-UHFFFAOYSA-N	-3	3	329.294	-1.154	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000834203821	605392728	/nfs/dbraw/zinc/39/27/28/605392728.db2.gz	FJUNHZNGPCOJAF-UHFFFAOYSA-N	-3	3	328.306	-1.242	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000834203939	605393905	/nfs/dbraw/zinc/39/39/05/605393905.db2.gz	NQYHOLYFBGHZIQ-SSDOTTSWSA-N	-3	3	333.326	-1.578	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000834203940	605394159	/nfs/dbraw/zinc/39/41/59/605394159.db2.gz	NQYHOLYFBGHZIQ-ZETCQYMHSA-N	-3	3	333.326	-1.578	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cnn(C2CCOCC2)c1	ZINC000834204019	605394593	/nfs/dbraw/zinc/39/45/93/605394593.db2.gz	RXAHKHNEBTVTGA-UHFFFAOYSA-N	-3	3	347.353	-1.188	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000834204048	605394510	/nfs/dbraw/zinc/39/45/10/605394510.db2.gz	UNQLQJSIPVEYSX-UHFFFAOYSA-N	-3	3	342.333	-1.450	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000834204084	605394566	/nfs/dbraw/zinc/39/45/66/605394566.db2.gz	XKQIGRCKMPIJKD-UHFFFAOYSA-N	-3	3	341.309	-1.761	20	50		EAGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000834204114	605395935	/nfs/dbraw/zinc/39/59/35/605395935.db2.gz	ZTULQHYASGDIEH-UHFFFAOYSA-N	-3	3	341.309	-1.761	20	50		EAGDHL