smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)C(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000002257108	209351979	/nfs/dbraw/zinc/35/19/79/209351979.db2.gz	PSXHLVPSIBVITL-MRVPVSSYSA-N	-2	3	376.728	4.735	50	0		GJAAHL
O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000071279176	211042383	/nfs/dbraw/zinc/04/23/83/211042383.db2.gz	AYBNHMFODADGQP-ZDUSSCGKSA-N	-2	3	375.856	4.554	50	0		GJAAHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Oc3cccc(C(=O)[O-])c3)cc2)c1	ZINC000009356484	204308424	/nfs/dbraw/zinc/30/84/24/204308424.db2.gz	PHDXMZVWNGATGB-UHFFFAOYSA-N	-2	3	397.452	4.595	50	0		GJAAHL
O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000071281686	205279304	/nfs/dbraw/zinc/27/93/04/205279304.db2.gz	DRSGLDCIQNWYNF-CQSZACIVSA-N	-2	3	389.883	4.944	50	0		GJAAHL
Cc1cc([N-]C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])no1	ZINC000000641850	203844885	/nfs/dbraw/zinc/84/48/85/203844885.db2.gz	UQDSQUDVVUAXMN-UHFFFAOYSA-N	-2	3	384.002	4.547	50	0		GJAAHL
O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1	ZINC000004928661	204092687	/nfs/dbraw/zinc/09/26/87/204092687.db2.gz	BULZSZQMNJCECY-QFIPXVFZSA-N	-2	3	395.418	4.525	50	0		GJAAHL
O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1	ZINC000004928661	204092691	/nfs/dbraw/zinc/09/26/91/204092691.db2.gz	BULZSZQMNJCECY-QFIPXVFZSA-N	-2	3	395.418	4.525	50	0		GJAAHL
Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3cccc(C(=O)[O-])c3)cc2)c1C	ZINC000009356483	204308969	/nfs/dbraw/zinc/30/89/69/204308969.db2.gz	UQIUAQPNAMXWKZ-UHFFFAOYSA-N	-2	3	397.452	4.595	50	0		GJAAHL
O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1	ZINC000004928659	570371152	/nfs/dbraw/zinc/37/11/52/570371152.db2.gz	BULZSZQMNJCECY-JOCHJYFZSA-N	-2	3	395.418	4.525	50	0		GJAAHL
O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2)cc1	ZINC000004928659	570371157	/nfs/dbraw/zinc/37/11/57/570371157.db2.gz	BULZSZQMNJCECY-JOCHJYFZSA-N	-2	3	395.418	4.525	50	0		GJAAHL
CC[C@H](C)C(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000002257262	209352054	/nfs/dbraw/zinc/35/20/54/209352054.db2.gz	PSXHLVPSIBVITL-QMMMGPOBSA-N	-2	3	376.728	4.735	50	0		GJAAHL
COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1[O-]	ZINC000069510514	211037974	/nfs/dbraw/zinc/03/79/74/211037974.db2.gz	IRRJLXPTYBYFAZ-WQLSENKSSA-N	-2	3	381.815	4.787	50	0		GJAAHL
Cc1ccc(C(=O)C=C([O-])c2cc(Br)ccc2OC(C)C)c([O-])c1	ZINC000216630349	570303744	/nfs/dbraw/zinc/30/37/44/570303744.db2.gz	OADQBBGVBBRMOU-UHFFFAOYSA-N	-2	3	391.261	4.706	50	0		GJAAHL
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[n-]c1=S	ZINC000101495465	570825511	/nfs/dbraw/zinc/82/55/11/570825511.db2.gz	ZKDJAPGKJRQZQR-INIZCTEOSA-N	-2	3	395.509	4.506	50	0		GJAAHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2cc(Cl)ccc2C)o1)c1c(C)[n-][nH]c1=O	ZINC000004540781	570383057	/nfs/dbraw/zinc/38/30/57/570383057.db2.gz	WNCNVRYSOZAELJ-UHFFFAOYSA-N	-2	3	398.850	4.563	50	0		GJAAHL
COC(=O)C[C@H](CC(C)C)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115866	222382861	/nfs/dbraw/zinc/38/28/61/222382861.db2.gz	GVFPHGIBKMIWQH-HNNXBMFYSA-N	-2	3	396.439	4.564	50	0	biogenic	GJAAHL
COC(=O)C[C@@H](CC(C)C)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115867	209010372	/nfs/dbraw/zinc/01/03/72/209010372.db2.gz	GVFPHGIBKMIWQH-OAHLLOKOSA-N	-2	3	396.439	4.564	50	0	biogenic	GJAAHL
CC(C)CC(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000005284493	570549727	/nfs/dbraw/zinc/54/97/27/570549727.db2.gz	FJFILOSXSOABGI-UHFFFAOYSA-N	-2	3	376.728	4.735	50	0		GJAAHL
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[n-]c1=S	ZINC000101495467	570825484	/nfs/dbraw/zinc/82/54/84/570825484.db2.gz	ZKDJAPGKJRQZQR-MRXNPFEDSA-N	-2	3	395.509	4.506	50	0		GJAAHL
CCC[C@H](CC(=O)[O-])c1c([O-])c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O	ZINC000013382645	221267941	/nfs/dbraw/zinc/26/79/41/221267941.db2.gz	MXFUJXIOAUPXPT-YNEHKIRRSA-N	-2	3	388.460	4.535	50	0	biogenic,in-vitro	GJAAHL
O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000071281684	222178176	/nfs/dbraw/zinc/17/81/76/222178176.db2.gz	DRSGLDCIQNWYNF-AWEZNQCLSA-N	-2	3	389.883	4.944	50	0		GJAAHL
COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1[O-]	ZINC000095950283	208241776	/nfs/dbraw/zinc/24/17/76/208241776.db2.gz	LMNGJEJYOJNFNY-WDZFZDKYSA-N	-2	3	375.833	4.679	50	0		GJAAHL
CCC[C@@H](CC(=O)[O-])c1c([O-])c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O	ZINC000013382644	221267759	/nfs/dbraw/zinc/26/77/59/221267759.db2.gz	MXFUJXIOAUPXPT-XQQFMLRXSA-N	-2	3	388.460	4.535	50	0	biogenic,in-vitro	GJAAHL
O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1sc2cccc(Cl)c2c1Cl	ZINC000026251505	570423827	/nfs/dbraw/zinc/42/38/27/570423827.db2.gz	WSJLQYWJBARTNY-UHFFFAOYSA-N	-2	3	381.166	4.597	50	0		GJAAHL