smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)[O-])s1	ZINC000229619230	553064547	/nfs/dbraw/zinc/06/45/47/553064547.db2.gz	OVOXRNJNSLFWPB-UHFFFAOYSA-N	-1	2	377.241	2.713	10	0		GFAELM
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cccnc1Cl	ZINC000050200993	654718481	/nfs/dbraw/zinc/71/84/81/654718481.db2.gz	LOWWDFLTCAGZDZ-UHFFFAOYSA-N	-1	2	391.630	2.997	10	0		GFAELM
COc1ccc(Cl)cc1C(=O)NCCc1ccc(O[P@@](=O)([O-])O)cc1	ZINC000022054658	207247230	/nfs/dbraw/zinc/24/72/30/207247230.db2.gz	RHSICLBXTJYWMY-UHFFFAOYSA-N	-1	2	385.740	2.793	10	0	in-vitro	GFAELM
COc1ccc(Cl)cc1C(=O)NCCc1ccc(O[P@](=O)([O-])O)cc1	ZINC000022054658	207247232	/nfs/dbraw/zinc/24/72/32/207247232.db2.gz	RHSICLBXTJYWMY-UHFFFAOYSA-N	-1	2	385.740	2.793	10	0	in-vitro	GFAELM
CN1CC[NH+](CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)CC1	ZINC000175769753	552128498	/nfs/dbraw/zinc/12/84/98/552128498.db2.gz	MYXLURBTWVHVRN-UHFFFAOYSA-N	-1	2	386.323	2.799	10	0		GFAELM
O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cc(O)ccc2Br)C1	ZINC000263536062	553189270	/nfs/dbraw/zinc/18/92/70/553189270.db2.gz	ZFOGWXOSIBFTSO-UHFFFAOYSA-N	-1	2	383.286	2.572	10	0		GFAELM
O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cc(O)ccc2Br)C1	ZINC000263536062	553189273	/nfs/dbraw/zinc/18/92/73/553189273.db2.gz	ZFOGWXOSIBFTSO-UHFFFAOYSA-N	-1	2	383.286	2.572	10	0		GFAELM
[NH3+][C@@H](CO)c1c(Br)cc(Br)c(O)c1Br	ZINC000072199968	211083725	/nfs/dbraw/zinc/08/37/25/211083725.db2.gz	PLEFWLPVXQTWQI-YFKPBYRVSA-N	-1	2	389.869	2.672	10	0		GFAELM
O=C([O-])c1ccc(Br)cc1NS(=O)(=O)c1cccnc1Cl	ZINC000037742604	654616029	/nfs/dbraw/zinc/61/60/29/654616029.db2.gz	ZGHLUWURVJIXHB-UHFFFAOYSA-N	-1	2	391.630	2.997	10	0		GFAELM
Cc1nc(CN2CCC[N@@H+](Cc3cc(O)ccc3Br)CC2)no1	ZINC000179212923	552187411	/nfs/dbraw/zinc/18/74/11/552187411.db2.gz	OTCGCOARYZKDQY-UHFFFAOYSA-N	-1	2	381.274	2.554	10	0		GFAELM
Cc1ncc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])s1	ZINC000229618798	553064499	/nfs/dbraw/zinc/06/44/99/553064499.db2.gz	BKVBDWPURQGKGL-UHFFFAOYSA-N	-1	2	377.241	2.713	10	0		GFAELM
O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2cccnc2Cl)c1	ZINC000166578074	655141767	/nfs/dbraw/zinc/14/17/67/655141767.db2.gz	HMTFLPMKDXHVPF-UHFFFAOYSA-N	-1	2	391.630	2.997	10	0		GFAELM
O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cccc(O)c2Br)C1	ZINC000263533347	553189137	/nfs/dbraw/zinc/18/91/37/553189137.db2.gz	XTUUOXZHRKAOEY-UHFFFAOYSA-N	-1	2	383.286	2.572	10	0		GFAELM
O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cccc(O)c2Br)C1	ZINC000263533347	553189139	/nfs/dbraw/zinc/18/91/39/553189139.db2.gz	XTUUOXZHRKAOEY-UHFFFAOYSA-N	-1	2	383.286	2.572	10	0		GFAELM
O=C([O-])CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Br)c2)C1=O	ZINC000096469760	655031161	/nfs/dbraw/zinc/03/11/61/655031161.db2.gz	IBBSCCLNUFCECC-BAQGIRSFSA-N	-1	2	392.614	2.929	10	0		GFAELM