smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(=O)oc2nc(OCCc3ccccc3)[nH]c(=O)c12	ZINC000073161647	191286775	/nfs/dbraw/zinc/28/67/75/191286775.db2.gz	HSLTVDNZBLPISF-UHFFFAOYSA-N	0	2	312.325	2.060	1	0		DEAFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-n3cc[nH+]c3)c(F)c21	ZINC000026279523	182435742	/nfs/dbraw/zinc/43/57/42/182435742.db2.gz	ZCZHOXAHCTXLSJ-UHFFFAOYSA-N	0	2	319.267	2.184	1	0		DEAFLN
O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1CCO	ZINC000095552499	185379265	/nfs/dbraw/zinc/37/92/65/185379265.db2.gz	QWXVLIIKLYMDID-UHFFFAOYSA-N	0	2	303.145	2.055	1	0		DEAFLN
CCCSc1c(F)c(F)c(S(N)(=O)=O)c(F)c1F	ZINC000095589548	185382086	/nfs/dbraw/zinc/38/20/86/185382086.db2.gz	LKPIFWBRFVJTMY-UHFFFAOYSA-N	0	2	303.302	2.393	1	0	in-vitro	DEAFLN
COc1cc2cc[nH+]c3ccn(C)c(c1O[P@@](=O)([O-])O)c23	ZINC000038785072	183009856	/nfs/dbraw/zinc/00/98/56/183009856.db2.gz	LQLHTSTVFWAXBX-UHFFFAOYSA-N	0	2	308.230	2.207	1	0		DEAFLN
COc1cc2cc[nH+]c3ccn(C)c(c1O[P@](=O)([O-])O)c23	ZINC000038785072	183009861	/nfs/dbraw/zinc/00/98/61/183009861.db2.gz	LQLHTSTVFWAXBX-UHFFFAOYSA-N	0	2	308.230	2.207	1	0		DEAFLN
CC[C@@H]1O[C@@]2(C)C[C@H](S(=O)(=O)c3ccccc3O)C[C@@H]1O2	ZINC000005722198	181277199	/nfs/dbraw/zinc/27/71/99/181277199.db2.gz	XLGHHQXPPCKHOR-GVUJHPQVSA-N	0	2	312.387	2.239	1	0		DEAFLN
Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCCC1	ZINC000150558931	186056660	/nfs/dbraw/zinc/05/66/60/186056660.db2.gz	JGLSNQKWEPGLMY-UHFFFAOYSA-N	0	2	313.357	2.217	1	0		DEAFLN
NC(=O)c1cccc2nc([C@@]3([NH3+])CCc4ccccc4C3)[nH]c21	ZINC000040934798	183149059	/nfs/dbraw/zinc/14/90/59/183149059.db2.gz	KFCGQVDSANSMGG-GOSISDBHSA-N	0	2	306.369	2.005	1	0		DEAFLN
Cc1oc2ccc(Br)cc2c(=O)c1-c1nn[nH]n1	ZINC000004473174	181111414	/nfs/dbraw/zinc/11/14/14/181111414.db2.gz	XEAWFWXZWNSRRF-UHFFFAOYSA-N	0	2	307.107	2.044	3	0		DEAFLN
CCn1cc(C(=O)NOC)c(=O)c2ccc(-c3ccncc3)cc21	ZINC000005848323	181289137	/nfs/dbraw/zinc/28/91/37/181289137.db2.gz	DYDKJWCWLLSKPU-UHFFFAOYSA-N	0	2	323.352	2.375	1	0		DEAFLN
CC[C@@H]1O[C@@]2(C)C[C@@H](S(=O)(=O)c3ccccc3O)C[C@@H]1O2	ZINC000005722197	181277181	/nfs/dbraw/zinc/27/71/81/181277181.db2.gz	XLGHHQXPPCKHOR-GZCFXPHUSA-N	0	2	312.387	2.239	1	0		DEAFLN
COc1cc(C(C)C)c(Oc2c[nH+]c(N)nc2N)cc1C(=O)[O-]	ZINC000040424880	183065435	/nfs/dbraw/zinc/06/54/35/183065435.db2.gz	UMZMQINYOLOMAX-UHFFFAOYSA-N	0	2	318.333	2.264	1	0		DEAFLN
COc1cc2ncnc(-n3[nH]c4ccccc4c3=O)c2cc1OC	ZINC000139686574	186023179	/nfs/dbraw/zinc/02/31/79/186023179.db2.gz	LOYLABSIVUCOJF-UHFFFAOYSA-N	0	2	322.324	2.279	1	0		DEAFLN
NC(=O)c1cccc2nc([C@]3([NH3+])CCc4ccccc4C3)[nH]c21	ZINC000040934800	183149150	/nfs/dbraw/zinc/14/91/50/183149150.db2.gz	KFCGQVDSANSMGG-SFHVURJKSA-N	0	2	306.369	2.005	1	0		DEAFLN
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=O)o[nH]4)cc3)nc21	ZINC000045302527	581100476	/nfs/dbraw/zinc/10/04/76/581100476.db2.gz	HDKPPPCFAUNASD-UHFFFAOYSA-N	0	2	321.296	2.084	1	0		DEAFLN
Cc1nc(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)co1	ZINC000026578574	182447414	/nfs/dbraw/zinc/44/74/14/182447414.db2.gz	ZSGHIPYAVGGDPQ-CYBMUJFWSA-N	0	2	318.354	2.456	1	0		DEAFLN
O=C(O)c1cn(C2CC2)c2cc(N3CCC3)c(F)cc2c1=O	ZINC000003791128	181046327	/nfs/dbraw/zinc/04/63/27/181046327.db2.gz	ZSMFIWGMEGESRP-UHFFFAOYSA-N	0	2	302.305	2.384	1	0		DEAFLN
O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1CCCO	ZINC000095553719	185379536	/nfs/dbraw/zinc/37/95/36/185379536.db2.gz	SSMNLMGELHXQAV-UHFFFAOYSA-N	0	2	317.172	2.445	1	0		DEAFLN
CC1(C)CNC(=O)c2[nH]c(-c3nc(-c4ccccc4)n[nH]3)nc2C1	ZINC000067770886	640724762	/nfs/dbraw/zinc/72/47/62/640724762.db2.gz	CREHXRSCNQGDST-UHFFFAOYSA-N	0	2	322.372	2.174	1	0		DEAFLN
CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C1(C)C	ZINC000066259650	184399427	/nfs/dbraw/zinc/39/94/27/184399427.db2.gz	HYPBIQFNRORRRD-GJZGRUSLSA-N	0	2	316.401	2.101	1	0		DEAFLN
CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C1(C)C	ZINC000066259650	184399430	/nfs/dbraw/zinc/39/94/30/184399430.db2.gz	HYPBIQFNRORRRD-GJZGRUSLSA-N	0	2	316.401	2.101	1	0		DEAFLN
Cc1cc(O)cc2oc(Cc3cc(O)cc(=O)o3)cc(=O)c12	ZINC000013369219	560215101	/nfs/dbraw/zinc/21/51/01/560215101.db2.gz	IJIOACBOMPSZIR-UHFFFAOYSA-N	0	2	300.266	2.057	1	0	in-vitro	DEAFLN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cccnc1	ZINC000020574827	182235022	/nfs/dbraw/zinc/23/50/22/182235022.db2.gz	HBHBFMYKUXFYBD-UHFFFAOYSA-N	0	2	323.374	2.004	1	0		DEAFLN
Cc1c(Cl)cccc1NS(=O)(=O)c1coc(C(N)=O)c1	ZINC000004176285	181082070	/nfs/dbraw/zinc/08/20/70/181082070.db2.gz	CUIMYXPZSQZRKW-UHFFFAOYSA-N	0	2	314.750	2.141	1	0		DEAFLN