smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217597475	569880435	/nfs/dbraw/zinc/88/04/35/569880435.db2.gz	WLSNEQRAVQHCFH-KGPRRQHISA-N	0	1	493.585	2.322	50	70		JEIAMN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2nnc(Cn3cncn3)[nH]2)cc1	ZINC000218301449	569883247	/nfs/dbraw/zinc/88/32/47/569883247.db2.gz	OOEVIWVCBHLFLH-QGZVFWFLSA-N	0	1	475.465	2.369	50	70		JEIAMN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3cnc[nH]3)[C@@H]21	ZINC000217673334	569880964	/nfs/dbraw/zinc/88/09/64/569880964.db2.gz	JIZXTPSMGPORLD-HSZRJFAPSA-N	0	1	475.505	2.291	50	70	biogenic	JEIAMN
CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O	ZINC000217598804	569880415	/nfs/dbraw/zinc/88/04/15/569880415.db2.gz	GAAPDSWHBIEVAT-CFYSLPTISA-N	0	1	467.909	2.243	50	70		JEIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCC(N)=O	ZINC000218042563	569882553	/nfs/dbraw/zinc/88/25/53/569882553.db2.gz	ZPAAQACJMMLBMO-CYBMUJFWSA-N	0	1	467.430	2.323	50	70	biogenic	JEIAMN
COc1ccc(CCc2nnc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)[nH]2)cc1OC	ZINC000217863616	569881908	/nfs/dbraw/zinc/88/19/08/569881908.db2.gz	AKDCGQGLPMOAQR-KRWDZBQOSA-N	0	1	478.509	2.077	50	70	biogenic	JEIAMN
COc1ccc(CCc2n[nH]c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n2)cc1OC	ZINC000217863616	569881909	/nfs/dbraw/zinc/88/19/09/569881909.db2.gz	AKDCGQGLPMOAQR-KRWDZBQOSA-N	0	1	478.509	2.077	50	70	biogenic	JEIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCC(N)=O	ZINC000218042491	569882522	/nfs/dbraw/zinc/88/25/22/569882522.db2.gz	ZPAAQACJMMLBMO-ZDUSSCGKSA-N	0	1	467.430	2.323	50	70	biogenic	JEIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OCC(N)=O	ZINC000218080985	569882663	/nfs/dbraw/zinc/88/26/63/569882663.db2.gz	VOIUICAOIWQVBF-CYBMUJFWSA-N	0	1	467.430	2.323	50	70	biogenic	JEIAMN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nnc(Cn3cncn3)[nH]2)c1	ZINC000218134746	569882886	/nfs/dbraw/zinc/88/28/86/569882886.db2.gz	WUINQCZPNADCAW-KRWDZBQOSA-N	0	1	475.465	2.369	50	70		JEIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OCC(N)=O	ZINC000218080907	569882659	/nfs/dbraw/zinc/88/26/59/569882659.db2.gz	VOIUICAOIWQVBF-ZDUSSCGKSA-N	0	1	467.430	2.323	50	70	biogenic	JEIAMN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nnc(Cn3cncn3)[nH]2)c1	ZINC000218134663	569882905	/nfs/dbraw/zinc/88/29/05/569882905.db2.gz	WUINQCZPNADCAW-QGZVFWFLSA-N	0	1	475.465	2.369	50	70		JEIAMN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3cnc[nH]3)[C@H]21	ZINC000217673248	569880989	/nfs/dbraw/zinc/88/09/89/569880989.db2.gz	JIZXTPSMGPORLD-QHCPKHFHSA-N	0	1	475.505	2.291	50	70	biogenic	JEIAMN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2nnc(Cn3cncn3)[nH]2)cc1	ZINC000218301493	569883240	/nfs/dbraw/zinc/88/32/40/569883240.db2.gz	OOEVIWVCBHLFLH-KRWDZBQOSA-N	0	1	475.465	2.369	50	70		JEIAMN