smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(CO)c1OC)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1(C)C2	ZINC000014587531	717110893	/nfs/dbraw/zinc/11/08/93/717110893.db2.gz	OBEOFZPLEIVBQA-KEJDIYNNSA-N	1	0	414.478	2.734	1	5		HFBFRO
COC(=O)[C@](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1	ZINC000103225837	717146044	/nfs/dbraw/zinc/14/60/44/717146044.db2.gz	UFPOHCPPBJXCGI-ZFIYVHSTSA-N	1	0	414.522	2.588	1	5		HFBFRO
O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12	ZINC000013524037	581101363	/nfs/dbraw/zinc/10/13/63/581101363.db2.gz	CMQRPACWOBBRED-UHFFFAOYSA-N	1	0	405.502	2.987	1	5		HFBFRO
CCCC[N+]1(C)CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1	ZINC000013799447	717109142	/nfs/dbraw/zinc/10/91/42/717109142.db2.gz	VCGFDBHYHDWWIG-UHFFFAOYSA-O	1	0	402.563	2.504	1	5		HFBFRO
O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1	ZINC000003815860	581101425	/nfs/dbraw/zinc/10/14/25/581101425.db2.gz	XEKQXWYAIADGIV-UHFFFAOYSA-N	1	0	405.502	2.575	1	5	in-vitro	HFBFRO
COC(C(=O)O[C@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)(c1cccs1)c1cccs1	ZINC000103242109	717146602	/nfs/dbraw/zinc/14/66/02/717146602.db2.gz	TYCNIKSCDDPXCO-XBDAJRGFSA-N	1	0	406.549	3.000	1	5		HFBFRO
C[N+]1(CCNC(=O)c2cnc3c4c2cccc4-c2ccccc2C3=O)CCOCC1	ZINC000043074884	717128491	/nfs/dbraw/zinc/12/84/91/717128491.db2.gz	YIFIAWPDMQZCDS-UHFFFAOYSA-O	1	0	402.474	2.653	1	5		HFBFRO
COC(=O)[C@@](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1	ZINC000103225839	717146193	/nfs/dbraw/zinc/14/61/93/717146193.db2.gz	UFPOHCPPBJXCGI-KVRBJELTSA-N	1	0	414.522	2.588	1	5		HFBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C(=O)OC3CCCCC3)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228789	717146224	/nfs/dbraw/zinc/14/62/24/717146224.db2.gz	SZZOHVTYEBTUAC-MCSHHISBSA-N	1	0	414.522	2.946	1	5		HFBFRO
COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(c(OC)c3[C@@H]1[C@H]2O)OCO4	ZINC000014637099	717110680	/nfs/dbraw/zinc/11/06/80/717110680.db2.gz	OZRXSATYYHTYDB-BEWYTNLXSA-N	1	0	400.451	2.732	1	5		HFBFRO
CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)cc2S(=O)(=O)N(C)C)ccc1OC	ZINC000043063870	717128565	/nfs/dbraw/zinc/12/85/65/717128565.db2.gz	YYPBSUKTXWVUQH-ZBJSNUHESA-N	1	0	421.587	2.503	1	5		HFBFRO
C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c2cccc(OC)c2n(C)c13	ZINC000038899019	717126496	/nfs/dbraw/zinc/12/64/96/717126496.db2.gz	LXYOQAOPFZZHKS-LCPHVQDOSA-N	1	0	411.522	2.731	1	5		HFBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C(=O)OC3CCCCC3)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103228787	717146215	/nfs/dbraw/zinc/14/62/15/717146215.db2.gz	SZZOHVTYEBTUAC-KINXCBNHSA-N	1	0	414.522	2.946	1	5		HFBFRO