smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1N[C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000101130158	283260344	/nfs/dbraw/zinc/26/03/44/283260344.db2.gz	KJRVQVYKOJDMLE-IKGGRYGDSA-N	-1	3	337.379	1.437	40	10		EDCBHM
COCc1cc(CC2(NCc3ccc(OC)cc3[O-])COC2)no1	ZINC000072321921	202364177	/nfs/dbraw/zinc/36/41/77/202364177.db2.gz	YSXPYACPKDPQEZ-UHFFFAOYSA-N	-1	3	334.372	1.637	40	10	biogenic,in-vitro	EDCBHM
COC(=O)C[C@H]1C[C@@]23O[C@@]2(C(=O)c2c([O-])cccc2C3=O)[C@@H](C)O1	ZINC000072320621	291164925	/nfs/dbraw/zinc/16/49/25/291164925.db2.gz	IHXLRPOTFALLKF-UGEREYQASA-N	-1	3	332.308	1.020	40	10	biogenic,in-vitro	EDCBHM
COCc1cc(=O)[n-]c(N2CCN(c3ccc(OC)cc3)CC2)n1	ZINC000022448358	441280580	/nfs/dbraw/zinc/28/05/80/441280580.db2.gz	KPYMRSXUZHRJGW-UHFFFAOYSA-N	-1	3	330.388	1.252	40	10		EDCBHM
CN(C)c1ccc(C=Cc2[n-]c3ncnn3c(=O)c2[N+](=O)[O-])cc1	ZINC000016186339	441216971	/nfs/dbraw/zinc/21/69/71/441216971.db2.gz	NCXKHJQLVYHAJZ-VMPITWQZSA-N	-1	3	326.316	1.975	40	10		EDCBHM
Cc1nc2c(c(=O)[n-]1)CCN(Cc1ccc(N(C)CCO)cc1)C2	ZINC000019576599	212045457	/nfs/dbraw/zinc/04/54/57/212045457.db2.gz	XVPQVKYREOJCNN-UHFFFAOYSA-N	-1	3	328.416	1.477	40	10		EDCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OC(C)=O	ZINC000408757049	447680884	/nfs/dbraw/zinc/68/08/84/447680884.db2.gz	ZJZIYWUFVSGKMT-QPEQYQDCSA-N	-1	3	334.353	1.727	40	10		EDCBHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(N(C)C)cc2)N1	ZINC000006386207	440989170	/nfs/dbraw/zinc/98/91/70/440989170.db2.gz	YBWLFULEVNMMRI-AWEZNQCLSA-N	-1	3	345.321	1.991	40	10		EDCBHM
COc1cc(C=C2SC(=S)N([N-]C(N)=O)C2=O)ccc1O	ZINC000002798747	440878369	/nfs/dbraw/zinc/87/83/69/440878369.db2.gz	PPPRCNXKMQMBIU-WEVVVXLNSA-N	-1	3	325.371	1.185	40	10		EDCBHM
CN1N[C@@H](c2ccccc2[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21	ZINC000019169936	290315895	/nfs/dbraw/zinc/31/58/95/290315895.db2.gz	LUAULCKNWSNUHE-PMPSAXMXSA-N	-1	3	329.400	1.570	40	10		EDCBHM
CCOc1cc(CN2CCOCC2)c([O-])c(CN2CCOCC2)c1	ZINC000031623694	441532735	/nfs/dbraw/zinc/53/27/35/441532735.db2.gz	XEGWKGWECYMDHQ-UHFFFAOYSA-N	-1	3	336.432	1.455	40	10		EDCBHM
CN1N[C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000019169939	276990841	/nfs/dbraw/zinc/99/08/41/276990841.db2.gz	KJRVQVYKOJDMLE-IXDOHACOSA-N	-1	3	337.379	1.437	40	10		EDCBHM
COC(=O)C[C@@H]1C[C@]23O[C@]2(C(=O)c2c([O-])cccc2C3=O)[C@H](C)O1	ZINC000252505032	291133707	/nfs/dbraw/zinc/13/37/07/291133707.db2.gz	IHXLRPOTFALLKF-YCLQXWMPSA-N	-1	3	332.308	1.020	40	10	biogenic,in-vitro	EDCBHM
CN1N[C@@H](c2ccccc2[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21	ZINC000101130131	283260307	/nfs/dbraw/zinc/26/03/07/283260307.db2.gz	LUAULCKNWSNUHE-OWCLPIDISA-N	-1	3	329.400	1.570	40	10		EDCBHM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccncc1	ZINC000408594090	250304664	/nfs/dbraw/zinc/30/46/64/250304664.db2.gz	SCCRIUIAMNDJSF-RIYZIHGNSA-N	-1	3	340.339	1.466	40	10		EDCBHM
COC(=O)C[C@H]1C[C@@]23O[C@@]2(C(=O)c2c([O-])cccc2C3=O)[C@H](C)O1	ZINC000072320622	441230004	/nfs/dbraw/zinc/23/00/04/441230004.db2.gz	IHXLRPOTFALLKF-KRQUVALZSA-N	-1	3	332.308	1.020	40	10	biogenic,in-vitro	EDCBHM
Nc1nc(N2CCCC2)nc2c1CCN(Cc1ccccc1[O-])C2	ZINC000012338379	441131378	/nfs/dbraw/zinc/13/13/78/441131378.db2.gz	RWBUQSIEZLLCDQ-UHFFFAOYSA-N	-1	3	325.416	1.923	40	10		EDCBHM
CN1N[C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000170621062	442237636	/nfs/dbraw/zinc/23/76/36/442237636.db2.gz	KJRVQVYKOJDMLE-YESZJQIVSA-N	-1	3	337.379	1.437	40	10		EDCBHM
Cn1cccc1/C=C1/SC(=S)N([N-]C(=O)c2ccncc2)C1=O	ZINC000002194474	440858310	/nfs/dbraw/zinc/85/83/10/440858310.db2.gz	GPZFYDHDUKLJCW-FMIVXFBMSA-N	-1	3	344.421	1.966	40	10		EDCBHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(N(C)C)cc2)N1	ZINC000006386206	440988591	/nfs/dbraw/zinc/98/85/91/440988591.db2.gz	YBWLFULEVNMMRI-CQSZACIVSA-N	-1	3	345.321	1.991	40	10		EDCBHM