smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(NC(=O)CSc2nc([O-])c(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000002965734	555868785	/nfs/dbraw/zinc/86/87/85/555868785.db2.gz	SSOPIFHIQSGYFB-UHFFFAOYSA-N	-2	3	432.483	0.802	50	0		ICAAHL
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2c[nH]c(=O)[n-]c2=O)C3=O)cc1	ZINC000003099991	556578971	/nfs/dbraw/zinc/57/89/71/556578971.db2.gz	PRCSPSXUIMULKB-UHFFFAOYSA-N	-2	3	441.377	0.395	50	0		ICAAHL
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccccc1OCC(=O)[O-])[N-]S2(=O)=O	ZINC000003229968	562933139	/nfs/dbraw/zinc/93/31/39/562933139.db2.gz	RJIAMHUSHJSTBL-HNNXBMFYSA-N	-2	3	447.878	0.853	50	0		ICAAHL
NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1OCC(=O)[O-])[N-]S2(=O)=O	ZINC000003229969	562933100	/nfs/dbraw/zinc/93/31/00/562933100.db2.gz	RJIAMHUSHJSTBL-OAHLLOKOSA-N	-2	3	447.878	0.853	50	0		ICAAHL
COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C=Cc1c([O-])[nH]c(=O)[n-]c1=O	ZINC000008762000	569474299	/nfs/dbraw/zinc/47/42/99/569474299.db2.gz	XUUYBGAMTPGXGT-BQYQJAHWSA-N	-2	3	425.353	0.931	50	0		ICAAHL
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](Sc3nc([O-])c(C)c(=O)[n-]3)C2=O)c1	ZINC000010035251	556323034	/nfs/dbraw/zinc/32/30/34/556323034.db2.gz	NUUYRCIAFLIRHB-LBPRGKRZSA-N	-2	3	447.425	0.781	50	0		ICAAHL
COc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1[N-]S(C)(=O)=O	ZINC000012748728	524698027	/nfs/dbraw/zinc/69/80/27/524698027.db2.gz	PYBZIERRBDQEIO-UHFFFAOYSA-N	-2	3	435.505	0.515	50	0		ICAAHL
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000012855854	527348954	/nfs/dbraw/zinc/34/89/54/527348954.db2.gz	BRZREIVGSYWZKJ-UHFFFAOYSA-N	-2	3	444.469	0.819	50	0		ICAAHL
COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c1OC	ZINC000012875154	521934335	/nfs/dbraw/zinc/93/43/35/521934335.db2.gz	JATVUJIRDDRKSB-ONEGZZNKSA-N	-2	3	439.446	0.164	50	0		ICAAHL
O=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013543704	291317097	/nfs/dbraw/zinc/31/70/97/291317097.db2.gz	JBFOLLJCGUCDQP-ZFORQUDYSA-N	-3	3	446.364	0.142	50	0	biogenic,in-vivo	ICAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000018045866	557234684	/nfs/dbraw/zinc/23/46/84/557234684.db2.gz	JXDAKCXPAFIESZ-CMPLNLGQSA-N	-2	3	441.181	0.540	50	0		ICAAHL
O=c1[n-]c(=O)c(-c2c(-c3ccc4c(c3)OCO4)nc3[nH]c(=O)[nH]c([O-])c2-3)c(-n2cccc2)[nH]1	ZINC000020896840	527441193	/nfs/dbraw/zinc/44/11/93/527441193.db2.gz	CLIOXPSDTNJZAT-UHFFFAOYSA-N	-2	3	446.379	0.775	50	0		ICAAHL
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000024893768	557177328	/nfs/dbraw/zinc/17/73/28/557177328.db2.gz	DFAWNPUNACZBQS-UHFFFAOYSA-N	-2	3	435.506	0.858	50	0		ICAAHL
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cn4cncn4)cc3)cc21	ZINC000032592335	556406979	/nfs/dbraw/zinc/40/69/79/556406979.db2.gz	WOJHTWSPLKTLJB-UHFFFAOYSA-N	-2	3	443.441	0.937	50	0		ICAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(CC(=O)N3CCOCC3)CC2)c1C(=O)[O-]	ZINC000036354303	569084222	/nfs/dbraw/zinc/08/42/22/569084222.db2.gz	FUJJEZIVTLKADM-FQEVSTJZSA-N	-2	3	444.488	0.479	50	0		ICAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(CC(=O)N3CCOCC3)CC2)c1C(=O)[O-]	ZINC000036354305	569084236	/nfs/dbraw/zinc/08/42/36/569084236.db2.gz	FUJJEZIVTLKADM-HXUWFJFHSA-N	-2	3	444.488	0.479	50	0		ICAAHL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(CCOCCO)CC1)cn2CC(=O)[O-]	ZINC000036360854	569086660	/nfs/dbraw/zinc/08/66/60/569086660.db2.gz	AMKXIGYGPUGOPG-FQEVSTJZSA-N	-2	3	435.477	0.487	50	0		ICAAHL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(CCOCCO)CC1)cn2CC(=O)[O-]	ZINC000036360855	569086664	/nfs/dbraw/zinc/08/66/64/569086664.db2.gz	AMKXIGYGPUGOPG-HXUWFJFHSA-N	-2	3	435.477	0.487	50	0		ICAAHL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(CCC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036365197	569086819	/nfs/dbraw/zinc/08/68/19/569086819.db2.gz	VDDYGXALVPCQFK-NRFANRHFSA-N	-2	3	446.504	0.956	50	0		ICAAHL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(CCC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036365199	569086832	/nfs/dbraw/zinc/08/68/32/569086832.db2.gz	VDDYGXALVPCQFK-OAQYLSRUSA-N	-2	3	446.504	0.956	50	0		ICAAHL
O=C([O-])[C@@H]1O[C@H](Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085487691	291316759	/nfs/dbraw/zinc/31/67/59/291316759.db2.gz	JBFOLLJCGUCDQP-YRIDSSQKSA-N	-3	3	446.364	0.142	50	0	biogenic,in-vitro	ICAAHL
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000089534545	568936807	/nfs/dbraw/zinc/93/68/07/568936807.db2.gz	RHTCYOPLMMPTQN-UHFFFAOYSA-N	-2	3	427.439	0.667	50	0		ICAAHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1	ZINC000095462949	569370328	/nfs/dbraw/zinc/37/03/28/569370328.db2.gz	KIGDLAJGNQYLJV-UHFFFAOYSA-N	-2	3	441.487	0.322	50	0		ICAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170977	557346769	/nfs/dbraw/zinc/34/67/69/557346769.db2.gz	JXDAKCXPAFIESZ-ZYHUDNBSSA-N	-2	3	441.181	0.540	50	0		ICAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170982	557346741	/nfs/dbraw/zinc/34/67/41/557346741.db2.gz	JXDAKCXPAFIESZ-PWSUYJOCSA-N	-2	3	441.181	0.540	50	0		ICAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170990	557346745	/nfs/dbraw/zinc/34/67/45/557346745.db2.gz	JXDAKCXPAFIESZ-JQWIXIFHSA-N	-2	3	441.181	0.540	50	0		ICAAHL
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1	ZINC000225616802	557752871	/nfs/dbraw/zinc/75/28/71/557752871.db2.gz	FRFASDAODYSAQL-UHFFFAOYSA-N	-2	3	436.475	0.296	50	0		ICAAHL
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)OC)[nH]2)cc1F	ZINC000253429831	569267506	/nfs/dbraw/zinc/26/75/06/569267506.db2.gz	VCJQZXCQRTVGMC-UHFFFAOYSA-N	-2	3	435.459	0.612	50	0		ICAAHL
Cc1c(C)[n+]([O-])c([C@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[n-]c2=O)n1CCO	ZINC000524734224	569127561	/nfs/dbraw/zinc/12/75/61/569127561.db2.gz	KYIJQOCSMFKEIB-GFCCVEGCSA-N	-2	3	426.351	0.262	50	0		ICAAHL
Cc1c(C)[n+]([O-])c([C@@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[n-]c2=O)n1CCO	ZINC000524734225	569127594	/nfs/dbraw/zinc/12/75/94/569127594.db2.gz	KYIJQOCSMFKEIB-LBPRGKRZSA-N	-2	3	426.351	0.262	50	0		ICAAHL