smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCSC(=S)[N-]CCNC(=S)SCCC(=O)[O-]	ZINC000005410881	207098853	/nfs/dbraw/zinc/09/88/53/207098853.db2.gz	XZDBWFBHEORTNG-UHFFFAOYSA-N	-3	1	356.516	1.151	40	0		FDABML
O=C([O-])[C@@H](Cc1ccc(O)cc1)N[C@@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590383	518234957	/nfs/dbraw/zinc/23/49/57/518234957.db2.gz	JEUSOUAJTPGJSH-HUUCEWRRSA-N	-2	1	351.295	1.854	40	0		FDABML
O=C([O-])[C@@H](Cc1ccc(O)cc1)N[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590382	210360391	/nfs/dbraw/zinc/36/03/91/210360391.db2.gz	JEUSOUAJTPGJSH-CABCVRRESA-N	-2	1	351.295	1.854	40	0		FDABML
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217504241	526378227	/nfs/dbraw/zinc/37/82/27/526378227.db2.gz	RQQFQDHTJBOGHD-UHFFFAOYSA-N	-2	1	350.396	1.980	40	0		FDABML
Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000217394839	568181557	/nfs/dbraw/zinc/18/15/57/568181557.db2.gz	AEWIGESYBSUXHS-UHFFFAOYSA-N	-2	1	357.775	1.160	40	0		FDABML
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000107641278	525903680	/nfs/dbraw/zinc/90/36/80/525903680.db2.gz	JVXFLXMODHBLGN-IZZDOVSWSA-N	-2	1	374.374	1.911	40	0		FDABML
Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-]	ZINC000016101334	220178894	/nfs/dbraw/zinc/17/88/94/220178894.db2.gz	SXBJSGODPVXFCX-UHFFFAOYSA-N	-2	1	370.408	1.141	40	0		FDABML
O=C([O-])C1=C[C@H](c2ccccc2)c2c(=O)[n-]c(N3CCOCC3)nc2N1	ZINC000102277062	132234909	/nfs/dbraw/zinc/23/49/09/132234909.db2.gz	CPTXAUUMPVTVAB-GFCCVEGCSA-N	-2	1	354.366	1.132	40	0		FDABML
O=C([O-])Cc1cnc(COc2c(F)c(F)c(F)c(F)c2F)[n-]c1=O	ZINC000217388249	568181158	/nfs/dbraw/zinc/18/11/58/568181158.db2.gz	OIFBVRGGJQCPQX-UHFFFAOYSA-N	-2	1	350.199	1.672	40	0		FDABML
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000012544849	220006014	/nfs/dbraw/zinc/00/60/14/220006014.db2.gz	LMOPBQJWMCDDHA-UHFFFAOYSA-N	-2	1	370.408	1.557	40	0		FDABML
O=C([O-])[C@H](Cc1ccc(O)cc1)N[C@@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590381	204013508	/nfs/dbraw/zinc/01/35/08/204013508.db2.gz	JEUSOUAJTPGJSH-LSDHHAIUSA-N	-2	1	351.295	1.854	40	0		FDABML
O=C([O-])c1cnc(NS(=O)(=O)c2ccc(Br)cc2)[n-]c1=O	ZINC000217384280	206362363	/nfs/dbraw/zinc/36/23/63/206362363.db2.gz	OBKGUHRMJKSJOT-UHFFFAOYSA-N	-2	1	374.172	1.031	40	0		FDABML
COc1ccc(C(=O)c2cc(S(=O)(=O)[O-])c(OC)cc2[O-])c(O)c1	ZINC000001702531	518234240	/nfs/dbraw/zinc/23/42/40/518234240.db2.gz	RPPHWBSWFASQRA-UHFFFAOYSA-N	-2	1	354.336	1.593	40	0		FDABML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3=O)ccc1O	ZINC000005881820	518356277	/nfs/dbraw/zinc/35/62/77/518356277.db2.gz	FNODPKSKYNLQMS-UHFFFAOYSA-N	-2	1	362.319	1.350	40	0		FDABML
O=C([O-])CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)[n-]c1=O	ZINC000223447850	537526398	/nfs/dbraw/zinc/52/63/98/537526398.db2.gz	RRGYBCCDRPAYLW-UHFFFAOYSA-N	-2	1	357.775	1.241	40	0		FDABML
[O-]c1c(Br)cc(CN=Nc2nn[n-]n2)cc1Br	ZINC000005816089	518355629	/nfs/dbraw/zinc/35/56/29/518355629.db2.gz	CKZDWLJGPRACOW-UHFFFAOYSA-N	-2	1	361.985	1.876	40	0		FDABML
Cc1nc(COc2c(F)c(F)c(F)c(F)c2F)[n-]c(=O)c1CC(=O)[O-]	ZINC000217393654	568181482	/nfs/dbraw/zinc/18/14/82/568181482.db2.gz	JPPHQTXSZVXMQB-UHFFFAOYSA-N	-2	1	364.226	1.980	40	0		FDABML
O=C([O-])C1=C[C@@H](c2ccccc2)c2c(=O)[n-]c(N3CCOCC3)nc2N1	ZINC000102277056	132235011	/nfs/dbraw/zinc/23/50/11/132235011.db2.gz	CPTXAUUMPVTVAB-LBPRGKRZSA-N	-2	1	354.366	1.132	40	0		FDABML
O=C([O-])/C=C/c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000005392758	518343598	/nfs/dbraw/zinc/34/35/98/518343598.db2.gz	ZIVGLUKDHKOQPA-QPJJXVBHSA-N	-3	1	363.347	1.989	40	0		FDABML
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1	ZINC000011635266	518566744	/nfs/dbraw/zinc/56/67/44/518566744.db2.gz	GFICXZDAHSHOHM-UHFFFAOYSA-N	-2	1	363.351	1.369	40	0		FDABML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000042122882	519682567	/nfs/dbraw/zinc/68/25/67/519682567.db2.gz	RBDNIBRAEOWFRI-UHFFFAOYSA-N	-2	1	365.363	1.981	40	0		FDABML
O=C([O-])[C@H](Cc1ccc(O)cc1)N[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590380	518232640	/nfs/dbraw/zinc/23/26/40/518232640.db2.gz	JEUSOUAJTPGJSH-GJZGRUSLSA-N	-2	1	351.295	1.854	40	0		FDABML