smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(Cl)n(CCOP(=O)([O-])[O-])c2c(=O)n(C)c1=O	ZINC000026643637	202146507	/nfs/dbraw/zinc/14/65/07/202146507.db2.gz	HFCPAGJKJYNEMD-UHFFFAOYSA-N	-2	0	338.644	-0.804	1	0		EBAFRL
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)[NH2+]CP(=O)([O-])[O-]	ZINC000027561416	202157851	/nfs/dbraw/zinc/15/78/51/202157851.db2.gz	RRECHJMJHOXSBV-LLVKDONJSA-N	-2	0	330.277	-0.087	1	0		EBAFRL
O=C([O-])c1ccccc1N[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870065	560190643	/nfs/dbraw/zinc/19/06/43/560190643.db2.gz	PMFMJXPRNJUYMB-ZDCRXTMVSA-N	-3	0	349.232	-0.647	1	0	in-vitro	EBAFRL
CC(C)[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000028392842	202170889	/nfs/dbraw/zinc/17/08/89/202170889.db2.gz	PMRXNDVWOPLBSU-SDBXPKJASA-N	-2	0	348.327	-0.510	1	0		EBAFRL
O=C1NC(=O)[C@H](c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])N1	ZINC000073167713	203258938	/nfs/dbraw/zinc/25/89/38/203258938.db2.gz	UMSFJKHJYDJXQZ-ZETCQYMHSA-N	-2	0	336.303	-0.940	1	0		EBAFRL
C[C@@H](C[C@H](NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000013529680	201898347	/nfs/dbraw/zinc/89/83/47/201898347.db2.gz	QXXDQIOJKXRCGS-ACZMJKKPSA-N	-4	0	334.281	-0.832	1	0		EBAFRL
O=C(Nc1cc(Cl)cc(NC(=O)c2nnn[n-]2)n1)c1nnn[n-]1	ZINC000027850192	202160687	/nfs/dbraw/zinc/16/06/87/202160687.db2.gz	KHHFNEVBKSXKNB-UHFFFAOYSA-N	-2	0	335.675	-0.734	1	0		EBAFRL
NS(=O)(=O)c1ccc(NC(=S)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000027554212	202155901	/nfs/dbraw/zinc/15/59/01/202155901.db2.gz	ZHNZTZWWAQWWTK-MRVPVSSYSA-N	-2	0	347.374	-0.452	1	0		EBAFRL
CC(C)[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](CC(=O)[O-])C(=O)CF	ZINC000028392850	202170286	/nfs/dbraw/zinc/17/02/86/202170286.db2.gz	PMRXNDVWOPLBSU-OQPBUACISA-N	-2	0	348.327	-0.510	1	0		EBAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@H](F)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000029205226	202183266	/nfs/dbraw/zinc/18/32/66/202183266.db2.gz	DFYACPPPTKHKFG-QTSITTDLSA-N	-2	0	328.164	-0.589	1	0		EBAFRL
O=C([O-])[C@H]1CCCN1C(=O)CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000036176512	202317952	/nfs/dbraw/zinc/31/79/52/202317952.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-4	0	333.126	-0.712	1	0	in-vitro	EBAFRL
O=C([O-])CCN1CCN(CCC(=O)[O-])CC[NH+](CCC(=O)[O-])CC1	ZINC000022039436	201373008	/nfs/dbraw/zinc/37/30/08/201373008.db2.gz	XTBYGWFSZYYULT-UHFFFAOYSA-N	-2	0	345.396	-0.670	1	0		EBAFRL
NC(=O)c1cc(NC(=O)C(=O)[O-])c(Cl)c(NC(=O)C(=O)[O-])c1	ZINC000169316057	206551582	/nfs/dbraw/zinc/55/15/82/206551582.db2.gz	IOBPHTKIXKHUQT-UHFFFAOYSA-N	-2	0	329.652	-0.515	1	0		EBAFRL
O=C1NC(=O)[C@@H](c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])N1	ZINC000073167711	216359655	/nfs/dbraw/zinc/35/96/55/216359655.db2.gz	UMSFJKHJYDJXQZ-SSDOTTSWSA-N	-2	0	336.303	-0.940	1	0		EBAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](CO)C(=O)[O-])c1O	ZINC000002047254	560186357	/nfs/dbraw/zinc/18/63/57/560186357.db2.gz	ODVKKQWXKRZJLG-VIFPVBQESA-N	-2	0	336.237	-0.760	1	0	in-vitro	EBAFRL
O=C([O-])c1ccccc1N[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870067	560190623	/nfs/dbraw/zinc/19/06/23/560190623.db2.gz	PMFMJXPRNJUYMB-VLEAKVRGSA-N	-3	0	349.232	-0.647	1	0	in-vitro	EBAFRL
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1Cl	ZINC000013547779	560219615	/nfs/dbraw/zinc/21/96/15/560219615.db2.gz	JXVVNBLPBHXIAA-RRKCRQDMSA-N	-2	0	341.644	-0.763	1	0	in-vitro	EBAFRL
CC1(C)S[C@H](C(=O)[O-])[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])S1	ZINC000066074911	215006504	/nfs/dbraw/zinc/00/65/04/215006504.db2.gz	UMHWLCWDKDXWTL-QTSITTDLSA-N	-2	0	336.391	-0.531	1	0		EBAFRL
Nc1ncnc2c1ncn2[C@H]1CC=C(P(=O)([O-])[O-])O[C@H]1CO	ZINC000003626370	210069390	/nfs/dbraw/zinc/06/93/90/210069390.db2.gz	NZNVUYLNGGBIAL-BQBZGAKWSA-N	-2	0	327.237	-0.250	1	0		EBAFRL
O=P([O-])([O-])OC[C@H]1C[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O	ZINC000103208355	219270854	/nfs/dbraw/zinc/27/08/54/219270854.db2.gz	LMTPNQVTXJENPB-QQRDMOCMSA-N	-2	0	330.237	-0.782	1	0		EBAFRL
O=C([O-])c1ccccc1N[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870066	560190582	/nfs/dbraw/zinc/19/05/82/560190582.db2.gz	PMFMJXPRNJUYMB-LNFKQOIKSA-N	-3	0	349.232	-0.647	1	0	in-vitro	EBAFRL
O=C([O-])c1ccccc1N[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870068	560190597	/nfs/dbraw/zinc/19/05/97/560190597.db2.gz	PMFMJXPRNJUYMB-ZRUFSTJUSA-N	-3	0	349.232	-0.647	1	0	in-vitro	EBAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]1CO	ZINC000003917949	560191321	/nfs/dbraw/zinc/19/13/21/560191321.db2.gz	YHDKOVKCJODYNM-OXOINMOOSA-N	-2	0	331.225	-0.976	1	0	in-vitro	EBAFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@H]2CO[N-]C2=O)c1O	ZINC000002046990	560186298	/nfs/dbraw/zinc/18/62/98/560186298.db2.gz	NNRZSZJOQKAGTO-VIFPVBQESA-N	-2	0	333.237	-0.775	1	0	in-vitro	EBAFRL
CC1(C)S[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])[C@H](C(=O)[O-])S1	ZINC000066074907	215007137	/nfs/dbraw/zinc/00/71/37/215007137.db2.gz	UMHWLCWDKDXWTL-JSKYLQRQSA-N	-2	0	336.391	-0.531	1	0		EBAFRL
CN1CN(CC(=O)[O-])C(=O)N(CC(=O)[O-])[C@@H](Cc2ccccc2)C1=O	ZINC000040575457	213353943	/nfs/dbraw/zinc/35/39/43/213353943.db2.gz	NTMRNJSTKMRZTR-LBPRGKRZSA-N	-2	0	349.343	-0.080	1	0		EBAFRL
O=C([O-])c1nnn(CCNS(=O)(=O)c2ccccc2)c1C(=O)[O-]	ZINC000095596844	218444137	/nfs/dbraw/zinc/44/41/37/218444137.db2.gz	APEPHBUDEZXZEV-UHFFFAOYSA-N	-2	0	340.317	-0.347	1	0		EBAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1F	ZINC000013544195	560219456	/nfs/dbraw/zinc/21/94/56/560219456.db2.gz	WMEBOUQKZKATDW-GQTRHBFLSA-N	-2	0	349.215	-0.886	1	0	in-vitro	EBAFRL
O=C([O-])[C@H]1C[C@@H](C(=O)[O-])ON1C(=O)CNC(=O)Cc1ccccc1	ZINC000034849778	212992609	/nfs/dbraw/zinc/99/26/09/212992609.db2.gz	XILKDAWKYUDOCP-MNOVXSKESA-N	-2	0	336.300	-0.584	1	0		EBAFRL