smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@H]1C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C	ZINC000102967701	219244287	/nfs/dbraw/zinc/24/42/87/219244287.db2.gz	NOYBJWXGAYWITN-YKWBPFFISA-N	0	2	333.428	2.218	1	30		EEEFLN
C[C@H](O)[C@@H]1C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C	ZINC000102967708	219243995	/nfs/dbraw/zinc/24/39/95/219243995.db2.gz	NOYBJWXGAYWITN-FHBCKGOSSA-N	0	2	333.428	2.218	1	30		EEEFLN
O=C(C=CC(Br)=Cc1ccccc1)C1C(=O)CNC1=O	ZINC000026014069	202138097	/nfs/dbraw/zinc/13/80/97/202138097.db2.gz	IUGVVSPEFVOLME-VEQVDCDKSA-N	0	2	334.169	2.490	1	30		EEEFLN
CCOC(=O)c1c2c(sc1NC(O)=NS(C)(=O)=O)CCCC2	ZINC000028567758	202172307	/nfs/dbraw/zinc/17/23/07/202172307.db2.gz	SQOQKRHOECNUPD-UHFFFAOYSA-N	0	2	346.430	2.089	1	30		EEEFLN
O=C(CCCCCCN1C(=O)/C(=N\O)c2cc(Cl)ccc21)NO	ZINC000103294343	204072791	/nfs/dbraw/zinc/07/27/91/204072791.db2.gz	FBRYAWBKACNJBY-JXAWBTAJSA-N	0	2	339.779	2.321	1	30		EEEFLN
C[C@@H](O)[C@@H]1C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C	ZINC000102967703	219244014	/nfs/dbraw/zinc/24/40/14/219244014.db2.gz	NOYBJWXGAYWITN-DPHWGNNJSA-N	0	2	333.428	2.218	1	30		EEEFLN
O=C(CCCCCCN1C(=O)/C(=N\O)c2cccc(Cl)c21)NO	ZINC000103292929	219285490	/nfs/dbraw/zinc/28/54/90/219285490.db2.gz	KBQJCHJMAAJXLR-AQTBWJFISA-N	0	2	339.779	2.321	1	30		EEEFLN
O=C(NO)[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)C(=O)N1	ZINC000028227690	581099832	/nfs/dbraw/zinc/09/98/32/581099832.db2.gz	XYJDYCVPZSFGLI-OAHLLOKOSA-N	0	2	345.330	2.017	1	30		EEEFLN
CCCC(=O)CCC1C(=O)C(=O)c2cc(O)c(OC)c(O)c2C1=O	ZINC000040861868	201090583	/nfs/dbraw/zinc/09/05/83/201090583.db2.gz	GGNMTYGXUUGJFT-UHFFFAOYSA-N	0	2	334.324	2.447	1	30		EEEFLN
COc1ccc(NC(O)=NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000026476187	202143478	/nfs/dbraw/zinc/14/34/78/202143478.db2.gz	YHXADIZXPHWGKQ-UHFFFAOYSA-N	0	2	336.369	2.419	1	30		EEEFLN
C=C1C(=O)C(=O)C(C)C(Cc2c(O)c(C)cc(C(C)=O)c2O)C1=O	ZINC000169311932	527207352	/nfs/dbraw/zinc/20/73/52/527207352.db2.gz	AUXPTCQGDZVDQE-UHFFFAOYSA-N	0	2	330.336	2.452	1	30		EEEFLN
C[C@H](O)[C@H]1C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C	ZINC000102967705	219244539	/nfs/dbraw/zinc/24/45/39/219244539.db2.gz	NOYBJWXGAYWITN-HHULCRSBSA-N	0	2	333.428	2.218	1	30		EEEFLN