smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c([O-])c1	ZINC000005643993	520885158	/nfs/dbraw/zinc/88/51/58/520885158.db2.gz	FPETXKMUZIUTKS-FYJGNVAPSA-N	-2	3	397.504	4.050	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000019771668	526374348	/nfs/dbraw/zinc/37/43/48/526374348.db2.gz	VYXBOGPOYSXETO-HXUWFJFHSA-N	-2	3	399.402	4.168	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000019771668	526374351	/nfs/dbraw/zinc/37/43/51/526374351.db2.gz	VYXBOGPOYSXETO-HXUWFJFHSA-N	-2	3	399.402	4.168	50	30		GIEAHL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2[O-])c1	ZINC000001478849	570580969	/nfs/dbraw/zinc/58/09/69/570580969.db2.gz	JZCIEUVLXAOULV-GIJQJNRQSA-N	-2	3	389.278	4.266	50	30		GIEAHL
CCN(CC)c1ccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c([O-])c1	ZINC000005643990	520885820	/nfs/dbraw/zinc/88/58/20/520885820.db2.gz	IMTXGVUKDBUVSV-CIAFOILYSA-N	-2	3	385.468	4.181	50	30		GIEAHL
C[C@@H](C(=O)[O-])n1cc(-c2cc(-c3ccc([O-])cc3)c(C#N)c(N)n2)c2ccccc21	ZINC000071760136	205292545	/nfs/dbraw/zinc/29/25/45/205292545.db2.gz	MQYZTOOHVMILGF-ZDUSSCGKSA-N	-2	3	398.422	4.175	50	30		GIEAHL
CCC(=O)[N-]C([N-]c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F	ZINC000100229420	521171599	/nfs/dbraw/zinc/17/15/99/521171599.db2.gz	ODOFYPRVKSLVEI-UHFFFAOYSA-N	-2	3	382.226	4.464	50	30		GIEAHL
[O-]c1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1F	ZINC000001276206	570947140	/nfs/dbraw/zinc/94/71/40/570947140.db2.gz	XEUSPJLZEVLAFE-QGMBQPNBSA-N	-2	3	393.241	4.097	50	30		GIEAHL
C=CCc1cccc(C=Nn2c(-c3cccc(OCC)c3)n[n-]c2=S)c1[O-]	ZINC000001238980	570947280	/nfs/dbraw/zinc/94/72/80/570947280.db2.gz	XQACJWLTELTXCE-FYJGNVAPSA-N	-2	3	380.473	4.323	50	30		GIEAHL
[O-]c1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1[O-]	ZINC000001637951	206388834	/nfs/dbraw/zinc/38/88/34/206388834.db2.gz	LEEGNGSQQIHNKM-ZEELXFFVSA-N	-2	3	398.054	4.076	50	30		GIEAHL
Nc1c(-c2nc(-c3ccccc3)cs2)c([O-])cn1N=Cc1cccc([O-])c1	ZINC000102721669	526838436	/nfs/dbraw/zinc/83/84/36/526838436.db2.gz	PXSGPUABEDANLH-LKPRLWDLSA-N	-2	3	376.441	4.112	50	30		GIEAHL
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc(Br)ccc1[O-]	ZINC000001240576	206370589	/nfs/dbraw/zinc/37/05/89/206370589.db2.gz	CERZKKCJQMHQHE-GIJQJNRQSA-N	-2	3	389.278	4.266	50	30		GIEAHL
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c([O-])c1	ZINC000005694973	570451763	/nfs/dbraw/zinc/45/17/63/570451763.db2.gz	XFZLAQRKKONWHG-FYJGNVAPSA-N	-2	3	381.505	4.350	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)c1	ZINC000006424060	570411513	/nfs/dbraw/zinc/41/15/13/570411513.db2.gz	UEHNOJBYERIRME-YDJIHCHBSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1	ZINC000006424060	570411515	/nfs/dbraw/zinc/41/15/15/570411515.db2.gz	UEHNOJBYERIRME-YDJIHCHBSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1	ZINC000020330127	818618949	/nfs/dbraw/zinc/61/89/49/818618949.db2.gz	BWOXFNCOYASJSA-HXUWFJFHSA-N	-2	3	399.402	4.168	50	30		GIEAHL
C=CCc1cccc(C=Nc2c(-c3cccc(OC(C)C)c3)[n-][nH]c2=S)c1[O-]	ZINC000102285652	519141297	/nfs/dbraw/zinc/14/12/97/519141297.db2.gz	SQODMDVMQXCWCY-IYHCKTHZSA-N	-2	3	393.512	4.442	50	30		GIEAHL
COc1cccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)c1	ZINC000001478941	209330171	/nfs/dbraw/zinc/33/01/71/209330171.db2.gz	YXACFFHSIOSNRC-CIAFOILYSA-N	-2	3	376.441	4.357	50	30		GIEAHL
C[C@H](C(=O)[O-])n1cc(-c2cc(-c3ccc([O-])cc3)c(C#N)c(N)n2)c2ccccc21	ZINC000071760137	211058570	/nfs/dbraw/zinc/05/85/70/211058570.db2.gz	MQYZTOOHVMILGF-CYBMUJFWSA-N	-2	3	398.422	4.175	50	30		GIEAHL
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)c([O-])c1	ZINC000005808297	570457320	/nfs/dbraw/zinc/45/73/20/570457320.db2.gz	RWXCBRUCUIZLIJ-FYJGNVAPSA-N	-2	3	397.504	4.050	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1	ZINC000020330123	818618990	/nfs/dbraw/zinc/61/89/90/818618990.db2.gz	BWOXFNCOYASJSA-FQEVSTJZSA-N	-2	3	399.402	4.168	50	30		GIEAHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000001478112	209331366	/nfs/dbraw/zinc/33/13/66/209331366.db2.gz	SRZVXUIGGSFIPX-CIAFOILYSA-N	-2	3	376.441	4.357	50	30		GIEAHL
C=CCc1cccc(C=Nc2c(-c3cccc(OC(C)C)c3)[n-][nH]c2=S)c1[O-]	ZINC000102285656	519141107	/nfs/dbraw/zinc/14/11/07/519141107.db2.gz	SQODMDVMQXCWCY-VMHRPQTGSA-N	-2	3	393.512	4.442	50	30		GIEAHL
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)c([O-])c1	ZINC000002347363	520884177	/nfs/dbraw/zinc/88/41/77/520884177.db2.gz	QDVJWGZEWXANNZ-FYJGNVAPSA-N	-2	3	381.505	4.350	50	30		GIEAHL
[O-]c1ccc(Br)cc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001475372	209330403	/nfs/dbraw/zinc/33/04/03/209330403.db2.gz	MIZWXMCMOPAWGQ-RQZCQDPDSA-N	-2	3	381.299	4.339	50	30		GIEAHL
O=[N+]([O-])c1cc(/C=N/c2cc(-c3ccccc3)ccc2[O-])c([O-])c([N+](=O)[O-])c1	ZINC000001885585	212258150	/nfs/dbraw/zinc/25/81/50/212258150.db2.gz	GACVQTAUEGSABK-RGVLZGJSSA-N	-2	3	379.328	4.332	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000019771666	526373098	/nfs/dbraw/zinc/37/30/98/526373098.db2.gz	VYXBOGPOYSXETO-FQEVSTJZSA-N	-2	3	399.402	4.168	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000019771666	526373105	/nfs/dbraw/zinc/37/31/05/526373105.db2.gz	VYXBOGPOYSXETO-FQEVSTJZSA-N	-2	3	399.402	4.168	50	30		GIEAHL
[O-]c1ccc(Br)cc1C=NN=Cc1cc(Br)ccc1[O-]	ZINC000254865413	570299160	/nfs/dbraw/zinc/29/91/60/570299160.db2.gz	LEEGNGSQQIHNKM-UHFFFAOYSA-N	-2	3	398.054	4.076	50	30		GIEAHL
C=CCc1cccc(C=Nn2c(-c3ccc(OCC)cc3)n[n-]c2=S)c1[O-]	ZINC000001479034	519141767	/nfs/dbraw/zinc/14/17/67/519141767.db2.gz	MPHQDEQOSBPHIX-FYJGNVAPSA-N	-2	3	380.473	4.323	50	30		GIEAHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2[O-])cc1	ZINC000001244774	212232494	/nfs/dbraw/zinc/23/24/94/212232494.db2.gz	SASLVJQXVYKIMV-GIJQJNRQSA-N	-2	3	389.278	4.266	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000005596004	570666483	/nfs/dbraw/zinc/66/64/83/570666483.db2.gz	JTVXKAYDJPVQMH-NHFXJNLRSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000005596004	570666484	/nfs/dbraw/zinc/66/64/84/570666484.db2.gz	JTVXKAYDJPVQMH-NHFXJNLRSA-N	-2	3	399.402	4.011	50	30		GIEAHL
N#Cc1c(/N=C/c2cc(Br)c([O-])cc2[O-])sc2c1CCCC2	ZINC000001058240	570749443	/nfs/dbraw/zinc/74/94/43/570749443.db2.gz	HHFNSCYTYPBHFT-UFWORHAWSA-N	-2	3	377.263	4.423	50	30		GIEAHL
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)c([O-])c1	ZINC000005643978	520884927	/nfs/dbraw/zinc/88/49/27/520884927.db2.gz	VIBNGUIZRNDSOG-FYJGNVAPSA-N	-2	3	381.505	4.350	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)c1	ZINC000006424065	570411443	/nfs/dbraw/zinc/41/14/43/570411443.db2.gz	UEHNOJBYERIRME-NHFXJNLRSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1	ZINC000006424065	570411446	/nfs/dbraw/zinc/41/14/46/570411446.db2.gz	UEHNOJBYERIRME-NHFXJNLRSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000005596000	570666514	/nfs/dbraw/zinc/66/65/14/570666514.db2.gz	JTVXKAYDJPVQMH-YDJIHCHBSA-N	-2	3	399.402	4.011	50	30		GIEAHL
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000005596000	570666517	/nfs/dbraw/zinc/66/65/17/570666517.db2.gz	JTVXKAYDJPVQMH-YDJIHCHBSA-N	-2	3	399.402	4.011	50	30		GIEAHL
CC(C)C(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1cccc(Cl)c1	ZINC000057878111	527455710	/nfs/dbraw/zinc/45/57/10/527455710.db2.gz	OBCRZQDLHZWIGQ-KRWDZBQOSA-N	-2	3	399.830	4.163	50	30		GIEAHL
CC(C)C([O-])=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1cccc(Cl)c1	ZINC000057878111	527455715	/nfs/dbraw/zinc/45/57/15/527455715.db2.gz	OBCRZQDLHZWIGQ-KRWDZBQOSA-N	-2	3	399.830	4.163	50	30		GIEAHL
CC(C)C(=O)[N-]C([N-]c1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000003024810	570528426	/nfs/dbraw/zinc/52/84/26/570528426.db2.gz	JHBNPKDFJZTMFA-UHFFFAOYSA-N	-2	3	380.691	4.484	50	30		GIEAHL
CCCc1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000004499450	570379720	/nfs/dbraw/zinc/37/97/20/570379720.db2.gz	NIGFUQAWVNTRNG-GIJQJNRQSA-N	-2	3	379.210	4.472	50	30		GIEAHL
CCCOc1ccc(/C=N/N(C)c2cc(C)nc(-c3ccccc3[O-])n2)c([O-])c1	ZINC000004697417	570636209	/nfs/dbraw/zinc/63/62/09/570636209.db2.gz	VDCHLVRPLARJCZ-OEAKJJBVSA-N	-2	3	392.459	4.122	50	30		GIEAHL
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1c([O-])ccc2ccccc21	ZINC000002509431	570965850	/nfs/dbraw/zinc/96/58/50/570965850.db2.gz	JUZSXCUDTUKBBB-CIAFOILYSA-N	-2	3	376.441	4.357	50	30		GIEAHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000254292033	570736122	/nfs/dbraw/zinc/73/61/22/570736122.db2.gz	SRZVXUIGGSFIPX-UHFFFAOYSA-N	-2	3	376.441	4.357	50	30		GIEAHL