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-])C1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCCCC1	ZINC000561469099	939319461	/nfs/dbraw/zinc/31/94/61/939319461.db2.gz	ZGCZYWDHIVTOCN-UHFFFAOYSA-N	-2	1	431.514	3.787	20	0		IHADML
Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000533183892	939264348	/nfs/dbraw/zinc/26/43/48/939264348.db2.gz	GUORSLNVWNVMOH-UHFFFAOYSA-N	-2	1	436.917	3.576	20	0		IHADML
O=C([O-])[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1	ZINC000426691009	939142853	/nfs/dbraw/zinc/14/28/53/939142853.db2.gz	FLARGMAMYIKBRQ-IBGZPJMESA-N	-2	1	444.896	3.697	20	0		IHADML
CC[C@](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)(C(=O)[O-])c1ccccc1	ZINC000485369558	939227127	/nfs/dbraw/zinc/22/71/27/939227127.db2.gz	HZBPWTVAJRLNMS-HSZRJFAPSA-N	-2	1	438.505	3.607	20	0		IHADML
O=C([O-])[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1F	ZINC000684744868	939046937	/nfs/dbraw/zinc/04/69/37/939046937.db2.gz	SBRPYHNHGVCORY-LJQANCHMSA-N	-2	1	443.456	3.574	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)cc1C	ZINC000428031703	939146670	/nfs/dbraw/zinc/14/66/70/939146670.db2.gz	LODVEFHAGMPWPL-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
O=C([O-])[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCCC1	ZINC000515281653	939240424	/nfs/dbraw/zinc/24/04/24/939240424.db2.gz	BIGCWBCHUDBMAJ-LJQANCHMSA-N	-2	1	431.514	3.642	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc2C)cc1	ZINC000428032813	939147465	/nfs/dbraw/zinc/14/74/65/939147465.db2.gz	PCEWYHVIOGNKCA-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCCCCC1	ZINC000431997330	939171453	/nfs/dbraw/zinc/17/14/53/939171453.db2.gz	GAYHZGXIRSMKJB-UHFFFAOYSA-N	-2	1	434.489	3.534	20	0		IHADML
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1	ZINC000675979154	939864070	/nfs/dbraw/zinc/86/40/70/939864070.db2.gz	BTNAHBHCMLSNFG-HSZRJFAPSA-N	-2	1	438.505	3.526	20	0		IHADML
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1	ZINC000675979155	939864187	/nfs/dbraw/zinc/86/41/87/939864187.db2.gz	BTNAHBHCMLSNFG-QHCPKHFHSA-N	-2	1	438.505	3.526	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)c1	ZINC000428014376	939145851	/nfs/dbraw/zinc/14/58/51/939145851.db2.gz	OBPVHLUCHYXFQA-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2)cc1	ZINC000675978190	939863823	/nfs/dbraw/zinc/86/38/23/939863823.db2.gz	HWZNYCVAAJTNTO-QHCPKHFHSA-N	-2	1	438.505	3.526	20	0		IHADML
C[C@@](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)(C(=O)[O-])c1ccccc1	ZINC000797736278	939198916	/nfs/dbraw/zinc/19/89/16/939198916.db2.gz	NUHCDXZGGZSSMJ-QFIPXVFZSA-N	-2	1	439.493	3.609	20	0		IHADML
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000532259925	939262455	/nfs/dbraw/zinc/26/24/55/939262455.db2.gz	NMHVQGWWXBUVOY-FQEVSTJZSA-N	-2	1	444.553	3.686	20	0		IHADML
CC[C@](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485359321	939225878	/nfs/dbraw/zinc/22/58/78/939225878.db2.gz	PBSIQPGMEVPFHL-HSZRJFAPSA-N	-2	1	438.505	3.607	20	0		IHADML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)c1	ZINC000426697779	939143538	/nfs/dbraw/zinc/14/35/38/939143538.db2.gz	XQJPKRNWMDCMKP-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)c1	ZINC000428074455	939148514	/nfs/dbraw/zinc/14/85/14/939148514.db2.gz	NREUGSFZCRHWCP-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
O=C([O-])C1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CCC1	ZINC000539565507	939280278	/nfs/dbraw/zinc/28/02/78/939280278.db2.gz	CFQSXHFEEWVLAU-UHFFFAOYSA-N	-2	1	443.308	3.531	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)c1	ZINC000426692051	939142964	/nfs/dbraw/zinc/14/29/64/939142964.db2.gz	OBPVHLUCHYXFQA-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)cc1C	ZINC000428070377	939148827	/nfs/dbraw/zinc/14/88/27/939148827.db2.gz	ODEIBGAAEKALRJ-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)c1	ZINC000426686680	939142387	/nfs/dbraw/zinc/14/23/87/939142387.db2.gz	NREUGSFZCRHWCP-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc2C)c1	ZINC000428020045	939145970	/nfs/dbraw/zinc/14/59/70/939145970.db2.gz	CLWFYLXSOHXDJW-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C(=O)[O-])CCCCC3)c2)c1	ZINC000485454705	939229752	/nfs/dbraw/zinc/22/97/52/939229752.db2.gz	NIGQZLZGZHYAMV-UHFFFAOYSA-N	-2	1	430.526	3.622	20	0		IHADML
CCC1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)(C(=O)[O-])CC1	ZINC000540704271	939293184	/nfs/dbraw/zinc/29/31/84/939293184.db2.gz	GATOMQPCKYBWFH-UHFFFAOYSA-N	-2	1	430.526	3.641	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)c1C	ZINC000485449802	939229778	/nfs/dbraw/zinc/22/97/78/939229778.db2.gz	KCJSPRHYHSLZGF-UHFFFAOYSA-N	-2	1	430.526	3.622	20	0		IHADML
O=C([O-])[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCCC1	ZINC000515281652	939240495	/nfs/dbraw/zinc/24/04/95/939240495.db2.gz	BIGCWBCHUDBMAJ-IBGZPJMESA-N	-2	1	431.514	3.642	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc2C)cc1	ZINC000426711564	939144767	/nfs/dbraw/zinc/14/47/67/939144767.db2.gz	PCEWYHVIOGNKCA-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)c1C	ZINC000426718030	939144947	/nfs/dbraw/zinc/14/49/47/939144947.db2.gz	URORIPGJFQFQSG-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
CCC1CCC(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)(C(=O)[O-])CC1	ZINC000537402721	939268506	/nfs/dbraw/zinc/26/85/06/939268506.db2.gz	GUTKEYXRJGZPTG-UHFFFAOYSA-N	-2	1	430.526	3.641	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)c2)cc1	ZINC000675980745	939865383	/nfs/dbraw/zinc/86/53/83/939865383.db2.gz	BHBNOOLZBRRVGV-QHCPKHFHSA-N	-2	1	438.505	3.526	20	0		IHADML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)c1	ZINC000428029122	939146518	/nfs/dbraw/zinc/14/65/18/939146518.db2.gz	XQJPKRNWMDCMKP-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
C[C@](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)(C(=O)[O-])c1ccccc1	ZINC000797736277	939198882	/nfs/dbraw/zinc/19/88/82/939198882.db2.gz	NUHCDXZGGZSSMJ-JOCHJYFZSA-N	-2	1	439.493	3.609	20	0		IHADML
CC[C@](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485371861	939227965	/nfs/dbraw/zinc/22/79/65/939227965.db2.gz	KSIGFZPYVZDREY-HSZRJFAPSA-N	-2	1	438.505	3.607	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2)cc1	ZINC000675978188	939863753	/nfs/dbraw/zinc/86/37/53/939863753.db2.gz	HWZNYCVAAJTNTO-HSZRJFAPSA-N	-2	1	438.505	3.526	20	0		IHADML
O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1	ZINC000428014442	939146136	/nfs/dbraw/zinc/14/61/36/939146136.db2.gz	ONSKUYLVODYQJH-LJQANCHMSA-N	-2	1	444.896	3.697	20	0		IHADML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)cc1C	ZINC000426717280	939144819	/nfs/dbraw/zinc/14/48/19/939144819.db2.gz	ODEIBGAAEKALRJ-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
O=C([O-])C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCCCC1	ZINC000485471752	939230368	/nfs/dbraw/zinc/23/03/68/939230368.db2.gz	ZFTSOKMBXCSHGZ-UHFFFAOYSA-N	-2	1	436.917	3.658	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)c1C	ZINC000428060970	939148085	/nfs/dbraw/zinc/14/80/85/939148085.db2.gz	URORIPGJFQFQSG-OAQYLSRUSA-N	-2	1	438.505	3.660	20	0		IHADML
CC[C@@](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485371862	939227826	/nfs/dbraw/zinc/22/78/26/939227826.db2.gz	KSIGFZPYVZDREY-QHCPKHFHSA-N	-2	1	438.505	3.607	20	0		IHADML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)cc1C	ZINC000485446119	939229981	/nfs/dbraw/zinc/22/99/81/939229981.db2.gz	SCSCSMNIDXSSRQ-UHFFFAOYSA-N	-2	1	430.526	3.622	20	0		IHADML
O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1	ZINC000426692105	939142792	/nfs/dbraw/zinc/14/27/92/939142792.db2.gz	ONSKUYLVODYQJH-IBGZPJMESA-N	-2	1	444.896	3.697	20	0		IHADML
CC[C@@](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)(C(=O)[O-])c1ccccc1	ZINC000485369559	939227369	/nfs/dbraw/zinc/22/73/69/939227369.db2.gz	HZBPWTVAJRLNMS-QHCPKHFHSA-N	-2	1	438.505	3.607	20	0		IHADML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)c1	ZINC000485462164	939230395	/nfs/dbraw/zinc/23/03/95/939230395.db2.gz	IBGSQTWQHQRZOC-UHFFFAOYSA-N	-2	1	430.526	3.622	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)cc1C	ZINC000426710804	939144920	/nfs/dbraw/zinc/14/49/20/939144920.db2.gz	LODVEFHAGMPWPL-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1	ZINC000431988523	939170955	/nfs/dbraw/zinc/17/09/55/939170955.db2.gz	VMXZBQJXCQOPPZ-UHFFFAOYSA-N	-2	1	430.526	3.703	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)c2)c1	ZINC000675977282	939863861	/nfs/dbraw/zinc/86/38/61/939863861.db2.gz	BXEBOMUGILUDMR-QHCPKHFHSA-N	-2	1	438.505	3.526	20	0		IHADML
CC[C@@](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(=O)[O-])c1ccccc1	ZINC000485359323	939225774	/nfs/dbraw/zinc/22/57/74/939225774.db2.gz	PBSIQPGMEVPFHL-QHCPKHFHSA-N	-2	1	438.505	3.607	20	0		IHADML
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000532259926	939262418	/nfs/dbraw/zinc/26/24/18/939262418.db2.gz	NMHVQGWWXBUVOY-HXUWFJFHSA-N	-2	1	444.553	3.686	20	0		IHADML
O=C([O-])[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1F	ZINC000684744867	939047054	/nfs/dbraw/zinc/04/70/54/939047054.db2.gz	SBRPYHNHGVCORY-IBGZPJMESA-N	-2	1	443.456	3.574	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc2C)c1	ZINC000426694380	939142832	/nfs/dbraw/zinc/14/28/32/939142832.db2.gz	CLWFYLXSOHXDJW-NRFANRHFSA-N	-2	1	438.505	3.660	20	0		IHADML
O=C([O-])[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1	ZINC000428029372	939146683	/nfs/dbraw/zinc/14/66/83/939146683.db2.gz	FLARGMAMYIKBRQ-LJQANCHMSA-N	-2	1	444.896	3.697	20	0		IHADML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)c2)c1	ZINC000675977281	939863816	/nfs/dbraw/zinc/86/38/16/939863816.db2.gz	BXEBOMUGILUDMR-HSZRJFAPSA-N	-2	1	438.505	3.526	20	0		IHADML
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1	ZINC000539565335	939280323	/nfs/dbraw/zinc/28/03/23/939280323.db2.gz	IWDSEOKIOBBVHO-UHFFFAOYSA-N	-2	1	444.553	3.830	20	0		IHADML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)c2)cc1	ZINC000675980744	939865220	/nfs/dbraw/zinc/86/52/20/939865220.db2.gz	BHBNOOLZBRRVGV-HSZRJFAPSA-N	-2	1	438.505	3.526	20	0		IHADML