smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(COC(=O)N2CSC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000001634804	204014666	/nfs/dbraw/zinc/01/46/66/204014666.db2.gz	HLCVGBQZVARFNV-SNVBAGLBSA-N	-1	0	372.355	1.708	1	5		FDBFRM
CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@@]1(C)O	ZINC000195473114	206332053	/nfs/dbraw/zinc/33/20/53/206332053.db2.gz	PGLOJNOMLZJZLP-VMUDFCTBSA-N	-1	0	361.354	1.114	1	5		FDBFRM
NC(=O)CC[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-]	ZINC000005543698	204214289	/nfs/dbraw/zinc/21/42/89/204214289.db2.gz	ZDIBLEUDVAOFJG-CQSZACIVSA-N	-1	0	367.361	1.130	1	5		FDBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F	ZINC000013863116	204556563	/nfs/dbraw/zinc/55/65/63/204556563.db2.gz	DMGJZALHACJGRU-ZETCQYMHSA-N	-1	0	356.278	1.720	1	5		FDBFRM
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C(=O)C(=O)[N-]C2=O	ZINC000013683225	220085719	/nfs/dbraw/zinc/08/57/19/220085719.db2.gz	HTPSMKIDMSJMJQ-UHFFFAOYSA-N	-1	0	353.290	1.229	1	5		FDBFRM
CSc1ccc(OCc2nc(S(=O)(=O)[O-])c([N+](=O)[O-])n2C)cc1	ZINC000066078050	221240638	/nfs/dbraw/zinc/24/06/38/221240638.db2.gz	ZLMWVQWBPIPBIB-UHFFFAOYSA-N	-1	0	359.385	1.876	1	5		FDBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F	ZINC000013839994	211063951	/nfs/dbraw/zinc/06/39/51/211063951.db2.gz	FDOKVYNXRHHOSO-ZETCQYMHSA-N	-1	0	356.278	1.720	1	5		FDBFRM
CCCN[C@@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O	ZINC000013440475	220067123	/nfs/dbraw/zinc/06/71/23/220067123.db2.gz	NEXBAIGDQQSPJV-GFCCVEGCSA-N	-1	0	358.247	1.125	1	5		FDBFRM
O=c1[n-]n(Cc2cnccn2)c(=O)c2c(O)c3ccc(Cl)cc3nc12	ZINC000028655944	220582178	/nfs/dbraw/zinc/58/21/78/220582178.db2.gz	XTYSVCVWVQMEJD-UHFFFAOYSA-N	-1	0	355.741	1.435	1	5		FDBFRM
NC(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000049052890	221018148	/nfs/dbraw/zinc/01/81/48/221018148.db2.gz	WGDHFVRKINOMFE-LBPRGKRZSA-N	-1	0	371.305	1.063	1	5		FDBFRM
CNC(=O)Nc1ccc2c(c1)c(=CC(=O)[O-])c1c2[nH]c(=O)c2nccn21	ZINC000100848085	222254978	/nfs/dbraw/zinc/25/49/78/222254978.db2.gz	ZWARPVUWEMVTAD-XFFZJAGNSA-N	-1	0	351.322	1.077	1	5		FDBFRM
CC1(C)COCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000028868408	204889783	/nfs/dbraw/zinc/88/97/83/204889783.db2.gz	OKYKDGRMXHIKIL-UHFFFAOYSA-N	-1	0	374.353	1.911	1	5		FDBFRM
CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@@]1(C)O	ZINC000195473101	206332359	/nfs/dbraw/zinc/33/23/59/206332359.db2.gz	PGLOJNOMLZJZLP-QDEZUTFSSA-N	-1	0	361.354	1.114	1	5		FDBFRM
O=C(Sc1n[nH]c(=O)[n-]c1=O)c1cccc2nc3ccccc3nc21	ZINC000005801231	204226345	/nfs/dbraw/zinc/22/63/45/204226345.db2.gz	HHTILRLLLMYAML-UHFFFAOYSA-N	-1	0	351.347	1.899	1	5		FDBFRM
CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@@]1(C)O	ZINC000195473105	206331464	/nfs/dbraw/zinc/33/14/64/206331464.db2.gz	PGLOJNOMLZJZLP-ZOMKSWQUSA-N	-1	0	361.354	1.114	1	5		FDBFRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000038792101	205043648	/nfs/dbraw/zinc/04/36/48/205043648.db2.gz	VVADHOLYTSDFGC-HBWRTXEVSA-N	-1	0	370.357	1.264	1	5	in-vitro	FDBFRM
O=C([O-])c1ccccc1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	ZINC000001545793	581102061	/nfs/dbraw/zinc/10/20/61/581102061.db2.gz	XYKIQTWQIBHWCG-UHFFFAOYSA-N	-1	0	356.294	1.435	1	5		FDBFRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000096916380	209161802	/nfs/dbraw/zinc/16/18/02/209161802.db2.gz	MNMITHSSVTZWCX-MRVPVSSYSA-N	-1	0	352.353	1.885	1	5		FDBFRM
NC(=O)CC[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-]	ZINC000005939814	207123809	/nfs/dbraw/zinc/12/38/09/207123809.db2.gz	ZDIBLEUDVAOFJG-AWEZNQCLSA-N	-1	0	367.361	1.130	1	5		FDBFRM
NC(=O)CC[C@H](NC(=O)c1c2ccccc2nc2ccccc21)C(=O)[O-]	ZINC000005848719	207119243	/nfs/dbraw/zinc/11/92/43/207119243.db2.gz	YBIXIQIOUALMCG-HNNXBMFYSA-N	-1	0	351.362	1.837	1	5		FDBFRM
COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000034617444	211616357	/nfs/dbraw/zinc/61/63/57/211616357.db2.gz	ZCQPPARHEMZYHH-UHFFFAOYSA-N	-1	0	367.339	1.990	1	5		FDBFRM
CCCN[C@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O	ZINC000013440477	211033976	/nfs/dbraw/zinc/03/39/76/211033976.db2.gz	NEXBAIGDQQSPJV-LBPRGKRZSA-N	-1	0	358.247	1.125	1	5		FDBFRM
[NH3+][C@H](Cc1nc2cc3ccccc3cc2nc1C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013861302	211063890	/nfs/dbraw/zinc/06/38/90/211063890.db2.gz	CAKPNNQRUWQOND-LLVKDONJSA-N	-1	0	361.294	1.415	1	5		FDBFRM
O=C([O-])c1nn2c(c1[N+](=O)[O-])c1cc([N+](=O)[O-])c(Cl)cc1[nH]c2=O	ZINC000029060597	211504948	/nfs/dbraw/zinc/50/49/48/211504948.db2.gz	FWMPJEZZWOHAGY-UHFFFAOYSA-N	-1	0	353.634	1.756	1	5		FDBFRM
COc1c([O-])cc2c(=O)oc3c(OC)c(OC)c(O)c4c(=O)oc1c2c34	ZINC000015216480	220149638	/nfs/dbraw/zinc/14/96/38/220149638.db2.gz	BLICLJSLKJVPKA-UHFFFAOYSA-N	-1	0	360.274	1.927	1	5		FDBFRM
COc1cc(COC(=O)N2CC=C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000001634809	219414073	/nfs/dbraw/zinc/41/40/73/219414073.db2.gz	YWAOMLOXXUULMD-SNVBAGLBSA-N	-1	0	352.299	1.574	1	5		FDBFRM