smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2n(C)c1=O	ZINC000003152799	282595298	/nfs/dbraw/zinc/59/52/98/282595298.db2.gz	NVDQWBUTKNFVMH-UHFFFAOYSA-N	0	1	300.274	-0.374	50	10		DBCAMN
CN1CCN(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)CC1	ZINC000020328834	277110079	/nfs/dbraw/zinc/11/00/79/277110079.db2.gz	DBJQCOIPMYNONL-CSKARUKUSA-N	0	1	309.395	-0.132	50	10		DBCAMN
COC(=O)[C@@H](Cc1ccccc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000008486265	382660216	/nfs/dbraw/zinc/66/02/16/382660216.db2.gz	WDJYAKRUMPNWTB-LLVKDONJSA-N	0	1	317.301	-0.390	50	10		DBCAMN
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002954234	374257244	/nfs/dbraw/zinc/25/72/44/374257244.db2.gz	DRJZANBOOKKVTE-UHFFFAOYSA-N	0	1	304.258	-0.012	50	10		DBCAMN
COC(=O)[C@H](Cc1ccccc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000008486373	382660011	/nfs/dbraw/zinc/66/00/11/382660011.db2.gz	WDJYAKRUMPNWTB-NSHDSACASA-N	0	1	317.301	-0.390	50	10		DBCAMN
O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNNCCO	ZINC000006927345	376564088	/nfs/dbraw/zinc/56/40/88/376564088.db2.gz	WSFRVESJSUKILF-ZRDIBKRKSA-N	0	1	318.333	-0.518	50	10		DBCAMN
CN1C(=O)C(=CNCCCN2CCOCC2)C(=O)N(C)C1=O	ZINC000019707692	182137628	/nfs/dbraw/zinc/13/76/28/182137628.db2.gz	OLIRBRQBTUBRQL-UHFFFAOYSA-N	0	1	310.354	-0.767	50	10		DBCAMN
COC(=O)Cc1csc(NC=C2C(=O)NC(=O)NC2=O)n1	ZINC000008486241	376637479	/nfs/dbraw/zinc/63/74/79/376637479.db2.gz	BWWAHFAZAOCREC-UHFFFAOYSA-N	0	1	310.291	-0.480	50	10		DBCAMN
CCCCN1C(=O)NC(=O)C(=CNCCN2CCOCC2)C1=O	ZINC000100792733	379839087	/nfs/dbraw/zinc/83/90/87/379839087.db2.gz	WCABBVMPVWSIQK-VAWYXSNFSA-N	0	1	324.381	-0.329	50	10		DBCAMN
C[C@H](C(=O)NCC([O-])=C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000005722758	544510634	/nfs/dbraw/zinc/51/06/34/544510634.db2.gz	KEUXITPEOZLALN-MRVPVSSYSA-N	0	1	300.274	-0.343	50	10		DBCAMN
C[C@@H](C(=O)NCC([O-])=C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000017247739	544498930	/nfs/dbraw/zinc/49/89/30/544498930.db2.gz	KEUXITPEOZLALN-QMMMGPOBSA-N	0	1	300.274	-0.343	50	10		DBCAMN
O=C1NC(=O)C(=CNCCNc2ccccc2[N+](=O)[O-])C(=O)N1	ZINC000025571512	374408916	/nfs/dbraw/zinc/40/89/16/374408916.db2.gz	AZFOQGPMIJANGE-UHFFFAOYSA-N	0	1	319.277	-0.154	50	10		DBCAMN
NC(=O)n1[n-]c(-c2ccccc2O)c(C[NH+]2CCOCC2)c1=O	ZINC000261492204	203073887	/nfs/dbraw/zinc/07/38/87/203073887.db2.gz	VCJXFPPETSMWBA-NSHDSACASA-N	0	1	318.333	-0.034	50	10		DBCAMN
CN1C(=O)C(=CNc2ncnc3[nH]cnc32)C(=O)N(C)C1=O	ZINC000005626182	277005998	/nfs/dbraw/zinc/00/59/98/277005998.db2.gz	YCKDDLBWZDSLPO-UHFFFAOYSA-N	0	1	301.266	-0.301	50	10	biogenic	DBCAMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCO	ZINC000002965541	374292949	/nfs/dbraw/zinc/29/29/49/374292949.db2.gz	HZTSFNJHMOIJGN-UHFFFAOYSA-N	0	1	306.274	-0.184	50	10		DBCAMN
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNNCCO	ZINC000009066106	382679008	/nfs/dbraw/zinc/67/90/08/382679008.db2.gz	URMOSBWKEKQXJK-DHZHZOJOSA-N	0	1	304.306	-0.560	50	10		DBCAMN
CCCCN1C(=O)NC(=O)C(=CNCCN2CCOCC2)C1=O	ZINC000019363189	182118698	/nfs/dbraw/zinc/11/86/98/182118698.db2.gz	WCABBVMPVWSIQK-QXMHVHEDSA-N	0	1	324.381	-0.329	50	10		DBCAMN
NC(=O)n1[n-]c(-c2ccccc2O)c(C[NH+]2CCOCC2)c1=O	ZINC000019912755	376088096	/nfs/dbraw/zinc/08/80/96/376088096.db2.gz	VCJXFPPETSMWBA-LLVKDONJSA-N	0	1	318.333	-0.034	50	10		DBCAMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000002833426	392156504	/nfs/dbraw/zinc/15/65/04/392156504.db2.gz	LKYVYADVJAYMGR-UHFFFAOYSA-N	0	1	319.273	-0.691	50	10		DBCAMN