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=Cc2cc([C@@H](C3CCCCC3)n3cc[nH+]c3)sc2CC1	ZINC000028262459	202168144	/nfs/dbraw/zinc/16/81/44/202168144.db2.gz	ULIHGEPRSAKTSL-GOSISDBHSA-N	0	2	342.464	4.529	1	0		EJAFLN
O=c1c2c([nH]n1-c1ccc(Cl)cc1)C[C@@H](c1ccccc1)S2	ZINC000100834747	219108592	/nfs/dbraw/zinc/10/85/92/219108592.db2.gz	HLRCIDIFYLFJLS-HNNXBMFYSA-N	0	2	328.824	4.621	1	0		EJAFLN
O=c1c(-c2ccsc2)cnc2c(-c3ccc4ccccc4c3)c[nH]n21	ZINC000100864287	219110225	/nfs/dbraw/zinc/11/02/25/219110225.db2.gz	QJGIRNMPCHIOKI-UHFFFAOYSA-N	0	2	343.411	4.984	1	0		EJAFLN
CCc1ccc2[nH]c(C[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)[nH+]c2c1	ZINC000072142329	216027322	/nfs/dbraw/zinc/02/73/22/216027322.db2.gz	KDPHWNKFDVZSPY-AWEZNQCLSA-N	0	2	342.826	4.580	1	0		EJAFLN
CCc1ccc2[nH+]c(C[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)[nH]c2c1	ZINC000072142329	216027325	/nfs/dbraw/zinc/02/73/25/216027325.db2.gz	KDPHWNKFDVZSPY-AWEZNQCLSA-N	0	2	342.826	4.580	1	0		EJAFLN
O=c1c(-c2ccsc2)cnc2c(-c3cccc4ccccc43)c[nH]n21	ZINC000100932590	219111703	/nfs/dbraw/zinc/11/17/03/219111703.db2.gz	INKQOPXCFMZEMI-UHFFFAOYSA-N	0	2	343.411	4.984	1	0		EJAFLN
Cc1ccnc2c1nc(C1CC1)n2Cc1cc(Cl)c(O)c(Cl)c1	ZINC000026257518	202140599	/nfs/dbraw/zinc/14/05/99/202140599.db2.gz	LSCNMZACJUCEHC-UHFFFAOYSA-N	0	2	348.233	4.678	1	0		EJAFLN
O=C1OC(=CC2CCCCC2)C(O)=C1c1cccc(C(F)(F)F)c1	ZINC000028565679	202173025	/nfs/dbraw/zinc/17/30/25/202173025.db2.gz	RHUFELMCBIPHNT-ZROIWOOFSA-N	0	2	338.325	4.996	1	0		EJAFLN
Oc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1	ZINC000028822258	202178018	/nfs/dbraw/zinc/17/80/18/202178018.db2.gz	YHNRFNJYCLUDHD-UHFFFAOYSA-N	0	2	340.382	4.726	1	0	in-vitro	EJAFLN
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O	ZINC000005934295	581101818	/nfs/dbraw/zinc/10/18/18/581101818.db2.gz	HISIYDZZYZHWFN-UHFFFAOYSA-N	0	2	339.394	4.762	1	0		EJAFLN
CCc1ccc2[nH]c(C[C@H](CC(=O)[O-])c3ccc(Cl)cc3)[nH+]c2c1	ZINC000072142330	203167701	/nfs/dbraw/zinc/16/77/01/203167701.db2.gz	KDPHWNKFDVZSPY-CQSZACIVSA-N	0	2	342.826	4.580	1	0		EJAFLN
CCc1ccc2[nH+]c(C[C@H](CC(=O)[O-])c3ccc(Cl)cc3)[nH]c2c1	ZINC000072142330	203167703	/nfs/dbraw/zinc/16/77/03/203167703.db2.gz	KDPHWNKFDVZSPY-CQSZACIVSA-N	0	2	342.826	4.580	1	0		EJAFLN
O=c1c2c([nH]n1-c1ccc(C(F)(F)F)cc1)-c1ccccc1SC2	ZINC000100989738	219113018	/nfs/dbraw/zinc/11/30/18/219113018.db2.gz	RBGCYBAYEZXGMK-UHFFFAOYSA-N	0	2	348.349	4.869	1	0		EJAFLN
COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc21	ZINC000004057021	210108865	/nfs/dbraw/zinc/10/88/65/210108865.db2.gz	WSJSWLQVPVZOKR-UHFFFAOYSA-N	0	2	340.433	4.567	3	0		EJAFLN
Clc1ccc(-c2nnc(Nc3ncnc4ccccc43)s2)cc1	ZINC000103284155	219282385	/nfs/dbraw/zinc/28/23/85/219282385.db2.gz	DVQPEXKVCHWWCM-UHFFFAOYSA-N	0	2	339.811	4.545	1	0		EJAFLN
O=c1cc(O)c(-c2ccsc2)c2oc(-c3ccccc3)cc(O)c1-2	ZINC000072118048	216012312	/nfs/dbraw/zinc/01/23/12/216012312.db2.gz	ZEZIXFVHGXCDIR-UHFFFAOYSA-N	0	2	336.368	4.600	1	0		EJAFLN
O=c1cc(-c2ccccc2)oc2c(-c3ccsc3)c(O)cc(O)c12	ZINC000072118048	216012315	/nfs/dbraw/zinc/01/23/15/216012315.db2.gz	ZEZIXFVHGXCDIR-UHFFFAOYSA-N	0	2	336.368	4.600	1	0		EJAFLN
COc1ccc(C(=O)c2coc3c2c(Cl)c(O)cc3Cl)cc1	ZINC000072178415	203182476	/nfs/dbraw/zinc/18/24/76/203182476.db2.gz	CXIBUJCGHIMBBF-UHFFFAOYSA-N	0	2	337.158	4.685	1	0		EJAFLN
COc1ccc(C(=O)c2coc3c2cc(O)c(Cl)c3Cl)cc1	ZINC000072176391	216065187	/nfs/dbraw/zinc/06/51/87/216065187.db2.gz	HAMRCXRVXDSJNK-UHFFFAOYSA-N	0	2	337.158	4.685	1	0		EJAFLN
Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2O)ccc1Cl	ZINC000040411812	213300109	/nfs/dbraw/zinc/30/01/09/213300109.db2.gz	GORMSCLYUMINIP-UHFFFAOYSA-N	0	2	330.598	4.913	1	0		EJAFLN