smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC1=C/C(=C/NNC(=O)C[N+](C)(C)C)C=CC1=O	ZINC000001847210	717090162	/nfs/dbraw/zinc/09/01/62/717090162.db2.gz	JZGUQKZTDLCBLJ-UHFFFAOYSA-O	1	0	280.348	0.257	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	ZINC000001847162	717089968	/nfs/dbraw/zinc/08/99/68/717089968.db2.gz	UCRNAEPRNWUEBR-MDWZMJQESA-O	1	0	265.293	0.751	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc(O)cc1O	ZINC000001847183	717090054	/nfs/dbraw/zinc/09/00/54/717090054.db2.gz	IQYZJVOWQNOOQA-UHFFFAOYSA-O	1	0	252.294	0.254	40	50		CCGBRO
CN(C)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	ZINC000001847285	717090542	/nfs/dbraw/zinc/09/05/42/717090542.db2.gz	ZRLHUJDOINDDHN-XNTDXEJSSA-O	1	0	263.365	0.909	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc2c(c1)OCO2	ZINC000001847281	717090723	/nfs/dbraw/zinc/09/07/23/717090723.db2.gz	BLPWKDIUWCLZPN-VGOFMYFVSA-O	1	0	264.305	0.572	40	50		CCGBRO
COc1ccccc1/C=N\NC(=O)C[N+](C)(C)C	ZINC000004744330	717098240	/nfs/dbraw/zinc/09/82/40/717098240.db2.gz	AYKPNBVHZXKFQM-ZROIWOOFSA-O	1	0	250.322	0.852	40	50		CCGBRO
COc1cccc(/C=N\NC(=O)C[N+](C)(C)C)c1OC	ZINC000031937765	717120490	/nfs/dbraw/zinc/12/04/90/717120490.db2.gz	MFJJOVARKGGZRM-DHDCSXOGSA-O	1	0	280.348	0.860	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	ZINC000001847138	717090195	/nfs/dbraw/zinc/09/01/95/717090195.db2.gz	IRMKOPQOLAETKT-MDWZMJQESA-O	1	0	265.293	0.751	40	50		CCGBRO
CC(=O)Nc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	ZINC000001847118	717089938	/nfs/dbraw/zinc/08/99/38/717089938.db2.gz	PDELRDLTDIFEHP-UHFFFAOYSA-O	1	0	277.348	0.801	40	50		CCGBRO
COc1ccccc1/C=N/NC(=O)C[N+](C)(C)C	ZINC000017002388	717112370	/nfs/dbraw/zinc/11/23/70/717112370.db2.gz	AYKPNBVHZXKFQM-NTEUORMPSA-O	1	0	250.322	0.852	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc2c(c1)OCO2	ZINC000031937784	717120291	/nfs/dbraw/zinc/12/02/91/717120291.db2.gz	BLPWKDIUWCLZPN-AUWJEWJLSA-O	1	0	264.305	0.572	40	50		CCGBRO
COc1cccc(/C=N/NC(=O)C[N+](C)(C)C)c1OC	ZINC000001847174	717090087	/nfs/dbraw/zinc/09/00/87/717090087.db2.gz	MFJJOVARKGGZRM-OQLLNIDSSA-O	1	0	280.348	0.860	40	50		CCGBRO
COc1cccc(/C=N/NC(=O)C[N+](C)(C)C)c1O	ZINC000001847300	717090947	/nfs/dbraw/zinc/09/09/47/717090947.db2.gz	YDDUDDCXLBOZBM-UHFFFAOYSA-O	1	0	266.321	0.557	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	ZINC000004744295	717098401	/nfs/dbraw/zinc/09/84/01/717098401.db2.gz	UCRNAEPRNWUEBR-JYRVWZFOSA-O	1	0	265.293	0.751	40	50		CCGBRO
COc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1	ZINC000031937769	717120188	/nfs/dbraw/zinc/12/01/88/717120188.db2.gz	CCQAPABTXLDPSR-ZROIWOOFSA-O	1	0	250.322	0.852	40	50		CCGBRO
C[N+](C)(C)CCOC(=O)CCSS(C)(=O)=O	ZINC000002525870	717094512	/nfs/dbraw/zinc/09/45/12/717094512.db2.gz	WYSYVNMSDUUBRZ-UHFFFAOYSA-N	1	0	270.396	0.319	40	50	in-vitro	CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	ZINC000001693554	717089138	/nfs/dbraw/zinc/08/91/38/717089138.db2.gz	SOJGJHQPLSMYAU-IZZDOVSWSA-O	1	0	255.254	0.344	40	50		CCGBRO
COc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	ZINC000001847195	717090008	/nfs/dbraw/zinc/09/00/08/717090008.db2.gz	CCQAPABTXLDPSR-NTEUORMPSA-O	1	0	250.322	0.852	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	ZINC000031937757	717120508	/nfs/dbraw/zinc/12/05/08/717120508.db2.gz	IRMKOPQOLAETKT-JYRVWZFOSA-O	1	0	265.293	0.751	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	ZINC000001847257	717090687	/nfs/dbraw/zinc/09/06/87/717090687.db2.gz	TXUDUPRGCUBAHX-MDWZMJQESA-O	1	0	265.293	0.751	40	50		CCGBRO
COc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1OC	ZINC000001847149	717089981	/nfs/dbraw/zinc/08/99/81/717089981.db2.gz	YLKOBROQXYWQSO-OQLLNIDSSA-O	1	0	280.348	0.860	40	50		CCGBRO
CN(C)P(=O)(N(C)C)N(C)CC[N+](C)(C)C	ZINC000104209024	717147280	/nfs/dbraw/zinc/14/72/80/717147280.db2.gz	HEQZPBJSOLCLNZ-UHFFFAOYSA-N	1	0	251.335	0.856	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc([N+](=O)[O-])o1	ZINC000008602867	717106615	/nfs/dbraw/zinc/10/66/15/717106615.db2.gz	SOJGJHQPLSMYAU-WDZFZDKYSA-O	1	0	255.254	0.344	40	50		CCGBRO
COc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1OC	ZINC000031937760	717120287	/nfs/dbraw/zinc/12/02/87/717120287.db2.gz	YLKOBROQXYWQSO-DHDCSXOGSA-O	1	0	280.348	0.860	40	50		CCGBRO
CN(C)c1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1	ZINC000031937785	717120637	/nfs/dbraw/zinc/12/06/37/717120637.db2.gz	ZRLHUJDOINDDHN-GDNBJRDFSA-O	1	0	263.365	0.909	40	50		CCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	ZINC000031937779	717120310	/nfs/dbraw/zinc/12/03/10/717120310.db2.gz	TXUDUPRGCUBAHX-JYRVWZFOSA-O	1	0	265.293	0.751	40	50		CCGBRO