smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCOCC1	ZINC000019995744	202028514	/nfs/dbraw/zinc/02/85/14/202028514.db2.gz	AVYSXCNZRVFOGQ-RAXLEYEMSA-N	0	1	348.359	-0.336	50	10		EBCAMN
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000004704576	376294443	/nfs/dbraw/zinc/29/44/43/376294443.db2.gz	ZHQCNPQFOHPEBH-UHFFFAOYSA-N	0	1	334.284	-0.004	50	10		EBCAMN
COC(=O)c1ccc(C(=O)OC)c(NC=C2C(=O)NC(=O)NC2=O)c1	ZINC000006579732	375909988	/nfs/dbraw/zinc/90/99/88/375909988.db2.gz	WNCRHAAFWDQIGH-UHFFFAOYSA-N	0	1	347.283	-0.078	50	10		EBCAMN
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000102716894	419180196	/nfs/dbraw/zinc/18/01/96/419180196.db2.gz	SWBNNASHQGCTBC-WUXMJOGZSA-N	0	1	349.343	-0.706	50	10		EBCAMN
COc1ccc(N(CC(=O)[O-])CC(=O)NN2CC[NH+](C)CC2)cc1	ZINC000034926473	213001244	/nfs/dbraw/zinc/00/12/44/213001244.db2.gz	XMYQQCOREXDLKD-UHFFFAOYSA-N	0	1	336.392	-0.135	50	10		EBCAMN
CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	ZINC000022594299	290334042	/nfs/dbraw/zinc/33/40/42/290334042.db2.gz	AHCGIFCESUEAAA-MRXNPFEDSA-N	0	1	347.463	-0.097	50	10		EBCAMN
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000004627708	210234986	/nfs/dbraw/zinc/23/49/86/210234986.db2.gz	CPARBECLRCQVEP-UHFFFAOYSA-N	0	1	333.300	-0.301	50	10		EBCAMN
CC(CO)(CO)NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000005686038	375906435	/nfs/dbraw/zinc/90/64/35/375906435.db2.gz	ULRXHLUNIZXFAI-KPKJPENVSA-N	0	1	333.344	-0.518	50	10		EBCAMN
CCN1C(=O)NC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C1=O	ZINC000006574361	375910516	/nfs/dbraw/zinc/91/05/16/375910516.db2.gz	XVOAHHDAXDKHCS-JXMROGBWSA-N	0	1	338.345	-0.272	50	10		EBCAMN
COC(=O)[C@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000020573726	212148968	/nfs/dbraw/zinc/14/89/68/212148968.db2.gz	RWZQRPPTIAYHKM-NSHDSACASA-N	0	1	333.300	-0.684	50	10		EBCAMN
COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)N(C)C1=O	ZINC000020573524	212149203	/nfs/dbraw/zinc/14/92/03/212149203.db2.gz	XJXZFDUERCLKEQ-NXIHDVOMSA-N	0	1	347.327	-0.342	50	10		EBCAMN
CC(CO)(CO)NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000005686040	375905763	/nfs/dbraw/zinc/90/57/63/375905763.db2.gz	FLIFDDXAGJFNJT-YRNVUSSQSA-N	0	1	335.385	-0.349	50	10		EBCAMN
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCOCC1	ZINC000100769112	219105903	/nfs/dbraw/zinc/10/59/03/219105903.db2.gz	AVYSXCNZRVFOGQ-JLHYYAGUSA-N	0	1	348.359	-0.336	50	10		EBCAMN
CCCCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)[N-]C1=S	ZINC000020189594	212109634	/nfs/dbraw/zinc/10/96/34/212109634.db2.gz	UJQJYOHWAJFFQD-VAWYXSNFSA-N	0	1	339.465	-0.592	50	10		EBCAMN
CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	ZINC000022594294	290333250	/nfs/dbraw/zinc/33/32/50/290333250.db2.gz	AHCGIFCESUEAAA-INIZCTEOSA-N	0	1	347.463	-0.097	50	10		EBCAMN
O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCCN1CCOCC1	ZINC000020292364	212116798	/nfs/dbraw/zinc/11/67/98/212116798.db2.gz	OZJUWBQEZYWWMI-ZRDIBKRKSA-N	0	1	338.433	-0.412	50	10		EBCAMN
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNNCCO	ZINC000002251613	381150876	/nfs/dbraw/zinc/15/08/76/381150876.db2.gz	BNZFRIZCQYQYRX-FMIVXFBMSA-N	0	1	336.323	-0.379	50	10		EBCAMN
COC(=O)[C@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)N(C)C1=O	ZINC000020573525	212148849	/nfs/dbraw/zinc/14/88/49/212148849.db2.gz	XJXZFDUERCLKEQ-KGTBHZDVSA-N	0	1	347.327	-0.342	50	10		EBCAMN
COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=O)NC1=O	ZINC000020573725	212148886	/nfs/dbraw/zinc/14/88/86/212148886.db2.gz	RWZQRPPTIAYHKM-LLVKDONJSA-N	0	1	333.300	-0.684	50	10		EBCAMN
COC(=O)c1cc(NC=C2C(=O)NC(=O)NC2=O)cc(C(=O)OC)c1	ZINC000006579657	375910711	/nfs/dbraw/zinc/91/07/11/375910711.db2.gz	PWZGQIPMTUFCDD-UHFFFAOYSA-N	0	1	347.283	-0.078	50	10		EBCAMN