smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)COc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cccc1OC	ZINC000009235083	204303208	/nfs/dbraw/zinc/30/32/08/204303208.db2.gz	DXFBYSIZBWSRJE-VOTSOKGWSA-N	-1	1	377.309	1.115	40	5		GDBBMM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000223306658	571002821	/nfs/dbraw/zinc/00/28/21/571002821.db2.gz	PIUUHMMJLYRBRA-UHFFFAOYSA-N	-1	1	379.394	1.863	40	5		GDBBMM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223308275	205996980	/nfs/dbraw/zinc/99/69/80/205996980.db2.gz	VKOXAAJNYFFBBD-UHFFFAOYSA-N	-1	1	379.394	1.863	40	5		GDBBMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000223280501	570999376	/nfs/dbraw/zinc/99/93/76/570999376.db2.gz	UFYJHPYVEMIOKA-UHFFFAOYSA-N	-1	1	379.394	1.829	40	5		GDBBMM
O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2[O-])N1	ZINC000409047698	534784046	/nfs/dbraw/zinc/78/40/46/534784046.db2.gz	PYNIIMCNOYVFRX-FARCUNLSSA-N	-1	1	375.078	1.085	40	5		GDBBMM
O=c1[nH]c(C=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)nc([O-])c1[N+](=O)[O-]	ZINC000409329112	231190522	/nfs/dbraw/zinc/19/05/22/231190522.db2.gz	CVNATNIZLUCWCX-DAFODLJHSA-N	-1	1	389.324	1.711	40	5		GDBBMM
CCCc1cc(=O)[n-]c(SCC(=O)NCCNc2ccc([N+](=O)[O-])cn2)n1	ZINC000020595822	207204534	/nfs/dbraw/zinc/20/45/34/207204534.db2.gz	XFQZHVMQMYSVIM-UHFFFAOYSA-N	-1	1	392.441	1.758	40	5		GDBBMM
Cc1nc(C(N)=S)sc1C(=O)C=C([O-])C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000102915467	570871398	/nfs/dbraw/zinc/87/13/98/570871398.db2.gz	SGSFASHMCRHUPV-UHFFFAOYSA-N	-1	1	392.418	1.775	40	5		GDBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1[N+](=O)[O-]	ZINC000052411094	570915456	/nfs/dbraw/zinc/91/54/56/570915456.db2.gz	TUERTPBSMXETSS-UHFFFAOYSA-N	-1	1	376.394	1.894	40	5		GDBBMM
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000047266691	570950691	/nfs/dbraw/zinc/95/06/91/570950691.db2.gz	VSWHBLNCBWLBGC-UHFFFAOYSA-N	-1	1	391.449	1.906	40	5		GDBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)n(C)c(=O)n2C	ZINC000014396720	570309907	/nfs/dbraw/zinc/30/99/07/570309907.db2.gz	HCKBNCWVNJEEBO-UHFFFAOYSA-N	-1	1	376.394	1.894	40	5		GDBBMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000408592917	529895476	/nfs/dbraw/zinc/89/54/76/529895476.db2.gz	KUOGWSGSFWWHGQ-LLVKDONJSA-N	-1	1	379.394	1.909	40	5		GDBBMM
O=c1[nH]c(C=Cc2ccc(SCCO)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409339075	231191484	/nfs/dbraw/zinc/19/14/84/231191484.db2.gz	RNPFNLRHWPRTFU-DUXPYHPUSA-N	-1	1	380.338	1.959	40	5		GDBBMM
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001587967	209333326	/nfs/dbraw/zinc/33/33/26/209333326.db2.gz	YBWPXEDQZNYCPC-UHFFFAOYSA-N	-1	1	377.334	1.478	40	5		GDBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000019961186	210310080	/nfs/dbraw/zinc/31/00/80/210310080.db2.gz	WECXKDQFKFWWTG-LBPRGKRZSA-N	-1	1	398.379	1.343	40	5		GDBBMM
Cc1c(N)cc(S(=O)(=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000255189638	531093006	/nfs/dbraw/zinc/09/30/06/531093006.db2.gz	RFJQXVKIOKUXIN-UHFFFAOYSA-N	-1	1	387.395	1.533	40	5		GDBBMM
CCOc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)OC	ZINC000408605262	528625787	/nfs/dbraw/zinc/62/57/87/528625787.db2.gz	LKFVAIIWHZHYKT-BQYQJAHWSA-N	-1	1	391.336	1.917	40	5		GDBBMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000223279663	222628596	/nfs/dbraw/zinc/62/85/96/222628596.db2.gz	PFYSPDIUMNDKFJ-UHFFFAOYSA-N	-1	1	379.394	1.829	40	5		GDBBMM
Cn1c2cc(NC(=O)CSc3nccc(=O)[n-]3)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408542664	231054740	/nfs/dbraw/zinc/05/47/40/231054740.db2.gz	KRBLDNNDLDPJJF-UHFFFAOYSA-N	-1	1	390.381	1.012	40	5		GDBBMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000408592918	529918014	/nfs/dbraw/zinc/91/80/14/529918014.db2.gz	KUOGWSGSFWWHGQ-NSHDSACASA-N	-1	1	379.394	1.909	40	5		GDBBMM
CCOC(=O)COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OC	ZINC000409339933	528841209	/nfs/dbraw/zinc/84/12/09/528841209.db2.gz	MXIVAQNBZJJDED-FNORWQNLSA-N	-1	1	391.336	1.917	40	5		GDBBMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1	ZINC000223279736	570997119	/nfs/dbraw/zinc/99/71/19/570997119.db2.gz	IWHKIILAJQOXRU-UHFFFAOYSA-N	-1	1	379.394	1.829	40	5		GDBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)OC	ZINC000409339679	528199787	/nfs/dbraw/zinc/19/97/87/528199787.db2.gz	KLZGTUVTHWKZFL-ALCCZGGFSA-N	-1	1	391.336	1.917	40	5		GDBBMM