smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]C(=O)Nn2c(C)nc3ccccc3c2=O)cc1	ZINC000001579899	204013696	/nfs/dbraw/zinc/01/36/96/204013696.db2.gz	ZUHSBABWIRCTAG-UHFFFAOYSA-N	-1	2	372.406	1.655	40	0		FDABLM
CN1C(C(=O)Nc2ccccn2)=C([O-])C2=C(C=C(Cl)C2)S1(=O)=O	ZINC000022061895	518890876	/nfs/dbraw/zinc/89/08/76/518890876.db2.gz	QLSZYMHQPPZJNG-UHFFFAOYSA-N	-1	2	353.787	1.845	40	0	in-vitro	FDABLM
CCCn1cc[nH+]c1CN1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1	ZINC000257299144	571159243	/nfs/dbraw/zinc/15/92/43/571159243.db2.gz	ROXBDKXQNYQRTO-ZDUSSCGKSA-N	-1	2	351.476	1.799	40	0		FDABLM
O=C([O-])c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1F	ZINC000269979756	571143267	/nfs/dbraw/zinc/14/32/67/571143267.db2.gz	QUPVIGMEINJIHN-UHFFFAOYSA-N	-1	2	369.374	1.873	40	0		FDABLM
CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289584	571158764	/nfs/dbraw/zinc/15/87/64/571158764.db2.gz	PZHJBXVDZOVIJU-JTQLQIEISA-N	-1	2	359.411	1.319	40	0		FDABLM
Cn1c2ccccc2c(O)c(-c2cc(=O)c(=O)n(-c3ccccc3)[n-]2)c1=O	ZINC000101628082	132234215	/nfs/dbraw/zinc/23/42/15/132234215.db2.gz	KNLQWPZRNZFXFY-UHFFFAOYSA-N	-1	2	361.357	1.954	40	0		FDABLM
Cn1c(=O)c(-c2cc([O-])c(=O)n(-c3ccccc3)n2)c(O)c2ccccc21	ZINC000101628082	132234216	/nfs/dbraw/zinc/23/42/16/132234216.db2.gz	KNLQWPZRNZFXFY-UHFFFAOYSA-N	-1	2	361.357	1.954	40	0		FDABLM
COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c1	ZINC000020156597	571133899	/nfs/dbraw/zinc/13/38/99/571133899.db2.gz	YAAINSNKKNECOV-UHFFFAOYSA-N	-1	2	358.397	1.968	40	0		FDABLM
O=C([O-])[C@@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F	ZINC000001563620	518233419	/nfs/dbraw/zinc/23/34/19/518233419.db2.gz	ZVOSPOWICGDQFC-MRVPVSSYSA-N	-1	2	373.205	1.829	40	0		FDABLM
COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1	ZINC000489040077	571142950	/nfs/dbraw/zinc/14/29/50/571142950.db2.gz	LEEXOWMPTNHVBV-NSHDSACASA-N	-1	2	353.400	1.898	40	0		FDABLM
CC(C)n1ncc2cc(S(=O)(=O)Nc3cnn(C)c3C(=O)[O-])ccc21	ZINC000540294450	541042634	/nfs/dbraw/zinc/04/26/34/541042634.db2.gz	JFYSCHPYCZLJTJ-UHFFFAOYSA-N	-1	2	363.399	1.850	40	0		FDABLM
O=C([O-])c1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1F	ZINC000269695920	180363400	/nfs/dbraw/zinc/36/34/00/180363400.db2.gz	WTBSOEVHOMSJLZ-UHFFFAOYSA-N	-1	2	369.374	1.873	40	0		FDABLM
O=[P@@]([O-])(O)OCC(Br)(Br)Br	ZINC000004705571	204156393	/nfs/dbraw/zinc/15/63/93/204156393.db2.gz	NIHRETFAEJQJKQ-UHFFFAOYSA-N	-1	2	362.736	1.934	40	0		FDABLM
O=[P@]([O-])(O)OCC(Br)(Br)Br	ZINC000004705571	204156397	/nfs/dbraw/zinc/15/63/97/204156397.db2.gz	NIHRETFAEJQJKQ-UHFFFAOYSA-N	-1	2	362.736	1.934	40	0		FDABLM
COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1	ZINC000489040076	571143070	/nfs/dbraw/zinc/14/30/70/571143070.db2.gz	LEEXOWMPTNHVBV-LLVKDONJSA-N	-1	2	353.400	1.898	40	0		FDABLM
CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289585	571158678	/nfs/dbraw/zinc/15/86/78/571158678.db2.gz	PZHJBXVDZOVIJU-SNVBAGLBSA-N	-1	2	359.411	1.319	40	0		FDABLM
COCCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1	ZINC000299548078	259005447	/nfs/dbraw/zinc/00/54/47/259005447.db2.gz	CMABBYNYWKTYDQ-UHFFFAOYSA-N	-1	2	365.411	1.517	40	0		FDABLM
COc1ccc(C(=O)c2cc(S(=O)(=O)[O-])c(OC)cc2O)c(O)c1	ZINC000001702531	518234244	/nfs/dbraw/zinc/23/42/44/518234244.db2.gz	RPPHWBSWFASQRA-UHFFFAOYSA-N	-1	2	354.336	1.593	40	0		FDABLM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@@](=O)([O-])O)C2)c(NC2CC2)n1	ZINC000006585575	207148154	/nfs/dbraw/zinc/14/81/54/207148154.db2.gz	YQBOXVWMECPEJS-SCZZXKLOSA-N	-1	2	366.318	1.209	40	0	in-vitro	FDABLM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@](=O)([O-])O)C2)c(NC2CC2)n1	ZINC000006585575	207148157	/nfs/dbraw/zinc/14/81/57/207148157.db2.gz	YQBOXVWMECPEJS-SCZZXKLOSA-N	-1	2	366.318	1.209	40	0	in-vitro	FDABLM
CC(=O)Oc1cc(S(=O)(=O)Nc2nc(N)n[nH]2)c([S-])cc1Cl	ZINC000001642336	210364237	/nfs/dbraw/zinc/36/42/37/210364237.db2.gz	UOBAWPMUUPBNQQ-UHFFFAOYSA-N	-1	2	363.808	1.055	40	0		FDABLM
[O-]c1c(Br)cc(CN=Nc2nn[nH]n2)cc1Br	ZINC000005816089	518355643	/nfs/dbraw/zinc/35/56/43/518355643.db2.gz	CKZDWLJGPRACOW-UHFFFAOYSA-N	-1	2	361.985	1.876	40	0		FDABLM
CCc1[n-]c(=N[N+](=O)[O-])nc(-c2nc(=N[N+](=O)[O-])[nH]c(CC)c2C)c1C	ZINC000025573560	519070710	/nfs/dbraw/zinc/07/07/10/519070710.db2.gz	GUXDIFAPWCHAPB-UHFFFAOYSA-N	-1	2	362.350	1.882	40	0		FDABLM
COc1cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc(C(=O)[O-])c1OC	ZINC000281220371	537515928	/nfs/dbraw/zinc/51/59/28/537515928.db2.gz	TZJWRBLXALAJIE-UHFFFAOYSA-N	-1	2	369.399	1.980	40	0		FDABLM
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])s1	ZINC000585090211	571218611	/nfs/dbraw/zinc/21/86/11/571218611.db2.gz	MUCMCXQDVATKIB-UHFFFAOYSA-N	-1	2	355.397	1.909	40	0		FDABLM
O=C([O-])[C@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F	ZINC000002028401	210376485	/nfs/dbraw/zinc/37/64/85/210376485.db2.gz	ZVOSPOWICGDQFC-QMMMGPOBSA-N	-1	2	373.205	1.829	40	0		FDABLM
O=C([O-])/C=C\C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000012368006	518607431	/nfs/dbraw/zinc/60/74/31/518607431.db2.gz	ALXRUJOUFGNSHT-WAYWQWQTSA-N	-1	2	353.381	1.523	40	0	in-man	FDABLM
COc1cc(S(=O)(=O)Nc2cc(C)n(C)n2)cc(C(=O)[O-])c1OC	ZINC000392255259	571151387	/nfs/dbraw/zinc/15/13/87/571151387.db2.gz	ZYDGVCXHLZGHTN-UHFFFAOYSA-N	-1	2	355.372	1.245	40	0		FDABLM
O=C([O-])C[C@@H]1CCN(C(=O)C(=O)[O-])C[C@@H]1CC1=[NH+]CCc2ccccc21	ZINC000067878741	221300384	/nfs/dbraw/zinc/30/03/84/221300384.db2.gz	XRLIDBWEWNHQIG-KBPBESRZSA-N	-1	2	358.394	1.446	40	0	biogenic,in-vitro	FDABLM