smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1cccnc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2cccnc2)C(=O)C1=O	ZINC000217940613	569882170	/nfs/dbraw/zinc/88/21/70/569882170.db2.gz	PXMDKZULXXPWBG-IYBDPMFKSA-N	-1	2	466.446	2.246	50	30	biogenic	JEEALM
COC(=O)C[C@@H](c1cccnc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2cccnc2)C(=O)C1=O	ZINC000217940613	569882171	/nfs/dbraw/zinc/88/21/71/569882171.db2.gz	PXMDKZULXXPWBG-IYBDPMFKSA-N	-1	2	466.446	2.246	50	30	biogenic	JEEALM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(F)cc3)S2)ccc1OCC(=O)[O-]	ZINC000008722406	569598879	/nfs/dbraw/zinc/59/88/79/569598879.db2.gz	FWXIPMATMBUHSA-LVGSUZFTSA-N	-1	2	474.470	2.248	50	30		JEEALM
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)ccc1OCC(=O)[O-]	ZINC000008722406	569598881	/nfs/dbraw/zinc/59/88/81/569598881.db2.gz	FWXIPMATMBUHSA-LVGSUZFTSA-N	-1	2	474.470	2.248	50	30		JEEALM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(/N=C/c3cc([N+](=O)[O-])ccc3O)C2=O)c2ccccc21	ZINC000013806062	555623294	/nfs/dbraw/zinc/62/32/94/555623294.db2.gz	IRLQCQHMGXKKFO-FISXKNPPSA-N	-1	2	484.471	2.337	50	30		JEEALM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)c(C(=O)[O-])c1OC	ZINC000009348314	523441695	/nfs/dbraw/zinc/44/16/95/523441695.db2.gz	CQVCIBLDOOBUFU-XHADFYDMSA-N	-1	2	456.480	2.352	50	30		JEEALM
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)c(C(=O)[O-])c1OC	ZINC000009348314	523441707	/nfs/dbraw/zinc/44/17/07/523441707.db2.gz	CQVCIBLDOOBUFU-XHADFYDMSA-N	-1	2	456.480	2.352	50	30		JEEALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1	ZINC000032961963	569602679	/nfs/dbraw/zinc/60/26/79/569602679.db2.gz	AMYYGPXZUAPYJT-UHFFFAOYSA-N	-1	2	474.539	2.238	50	30		JEEALM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002981849	519126175	/nfs/dbraw/zinc/12/61/75/519126175.db2.gz	MKJTWEQZOKGWFK-LZYBPNLTSA-N	-1	2	480.429	2.282	50	30		JEEALM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(F)cc3)S2)ccc1OCC(=O)[O-]	ZINC000008722407	521986318	/nfs/dbraw/zinc/98/63/18/521986318.db2.gz	FWXIPMATMBUHSA-OLGPUJBVSA-N	-1	2	474.470	2.248	50	30		JEEALM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)ccc1OCC(=O)[O-]	ZINC000008722407	521986330	/nfs/dbraw/zinc/98/63/30/521986330.db2.gz	FWXIPMATMBUHSA-OLGPUJBVSA-N	-1	2	474.470	2.248	50	30		JEEALM
N#CCCN1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000032961975	569602677	/nfs/dbraw/zinc/60/26/77/569602677.db2.gz	ZMKHDFAKXKTFFF-UHFFFAOYSA-N	-1	2	450.467	2.499	50	30		JEEALM
COC(=O)C[C@H](c1ccncc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccncc2)C(=O)C1=O	ZINC000217963185	569882289	/nfs/dbraw/zinc/88/22/89/569882289.db2.gz	KXXNZKFFIBNECV-IYBDPMFKSA-N	-1	2	466.446	2.246	50	30	biogenic	JEEALM
COC(=O)C[C@@H](c1ccncc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccncc2)C(=O)C1=O	ZINC000217963185	569882290	/nfs/dbraw/zinc/88/22/90/569882290.db2.gz	KXXNZKFFIBNECV-IYBDPMFKSA-N	-1	2	466.446	2.246	50	30	biogenic	JEEALM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)c(C(=O)[O-])c1OC	ZINC000009638775	555347576	/nfs/dbraw/zinc/34/75/76/555347576.db2.gz	CQVCIBLDOOBUFU-URMYYVDKSA-N	-1	2	456.480	2.352	50	30		JEEALM
COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)c(C(=O)[O-])c1OC	ZINC000009638775	555347581	/nfs/dbraw/zinc/34/75/81/555347581.db2.gz	CQVCIBLDOOBUFU-URMYYVDKSA-N	-1	2	456.480	2.352	50	30		JEEALM