smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1N1C(=O)CCC1=O	ZINC000224264328	569056700	/nfs/dbraw/zinc/05/67/00/569056700.db2.gz	QJQQUKVVWYAXKT-UHFFFAOYSA-N	-1	1	419.415	2.366	40	5		HEBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399226	527375036	/nfs/dbraw/zinc/37/50/36/527375036.db2.gz	DFBWYDIICKWMTI-CQSZACIVSA-N	-1	1	420.385	2.486	40	5		HEBBMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O	ZINC000009128882	569391550	/nfs/dbraw/zinc/39/15/50/569391550.db2.gz	IGIWMSQJNVGVPB-REDKUUPNSA-N	-1	1	420.425	2.208	40	5		HEBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCOCC1	ZINC000408601369	559220522	/nfs/dbraw/zinc/22/05/22/559220522.db2.gz	GBIQAHJUGDDMES-UHFFFAOYSA-N	-1	1	419.459	2.485	40	5		HEBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1N1C(=O)CCC1=O	ZINC000223264271	568933828	/nfs/dbraw/zinc/93/38/28/568933828.db2.gz	NATRDRIHPMYVLQ-UHFFFAOYSA-N	-1	1	419.415	2.366	40	5		HEBBMM
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)[O-])n[nH]1	ZINC000408630573	559223001	/nfs/dbraw/zinc/22/30/01/559223001.db2.gz	BYXAMOVOWWQPCU-RVDMUPIBSA-N	-1	1	418.479	2.245	40	5		HEBBMM
Cc1c2ccccc2c(CN(C)CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12	ZINC000001678480	557280179	/nfs/dbraw/zinc/28/01/79/557280179.db2.gz	LJYNTXFLLSEVAT-UHFFFAOYSA-N	-1	1	407.470	2.050	40	5		HEBBMM
COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000019933299	568585937	/nfs/dbraw/zinc/58/59/37/568585937.db2.gz	ULGJSTURHGTOAF-UHFFFAOYSA-N	-1	1	408.388	2.110	40	5		HEBBMM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C1=O	ZINC000004594390	132279754	/nfs/dbraw/zinc/27/97/54/132279754.db2.gz	SCIVFTCMBZHOHJ-RRBXVBTKSA-N	-1	1	400.435	2.231	40	5		HEBBMM
C[C@@]12C[C@@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]12	ZINC000009111243	569391594	/nfs/dbraw/zinc/39/15/94/569391594.db2.gz	WXTBTYWPGPEHNG-IAMHBRQHSA-N	-1	1	412.446	2.277	40	5		HEBBMM
CC[C@@H](C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008994235	132334672	/nfs/dbraw/zinc/33/46/72/132334672.db2.gz	FTULSNBLRBFGCO-CBLJQSSYSA-N	-1	1	400.435	2.373	40	5		HEBBMM
CCOC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000409353771	559248297	/nfs/dbraw/zinc/24/82/97/559248297.db2.gz	REVNLLLUIQVGJO-SOFGYWHQSA-N	-1	1	405.363	2.307	40	5		HEBBMM
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1)NCc1ccco1	ZINC000408605275	559221056	/nfs/dbraw/zinc/22/10/56/559221056.db2.gz	LMHNLAGGDPZOBW-VMPITWQZSA-N	-1	1	412.358	2.255	40	5		HEBBMM
Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4ccc([N+](=O)[O-])cc4)c(=O)c3c2[O-])n1	ZINC000009926406	569394461	/nfs/dbraw/zinc/39/44/61/569394461.db2.gz	XXVLYUDVTOZIJZ-UHFFFAOYSA-N	-1	1	406.402	2.221	40	5		HEBBMM
Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4ccc([N+](=O)[O-])cc4)c([O-])c-3c2=O)n1	ZINC000009926406	569394463	/nfs/dbraw/zinc/39/44/63/569394463.db2.gz	XXVLYUDVTOZIJZ-UHFFFAOYSA-N	-1	1	406.402	2.221	40	5		HEBBMM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399223	527262237	/nfs/dbraw/zinc/26/22/37/527262237.db2.gz	PTJOYNNXEAKHRS-AWEZNQCLSA-N	-1	1	420.385	2.486	40	5		HEBBMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1	ZINC000223770781	569031596	/nfs/dbraw/zinc/03/15/96/569031596.db2.gz	AXALGNLJTOFLHI-UHFFFAOYSA-N	-1	1	420.403	2.141	40	5		HEBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)OC(C)C	ZINC000408599975	559220235	/nfs/dbraw/zinc/22/02/35/559220235.db2.gz	PZJMSLBIGLRRQR-FNORWQNLSA-N	-1	1	405.363	2.305	40	5		HEBBMM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1OCC(=O)N(C)C	ZINC000223248433	568927979	/nfs/dbraw/zinc/92/79/79/568927979.db2.gz	QRTORVUMISNPOB-UHFFFAOYSA-N	-1	1	407.448	2.479	40	5		HEBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1N1C(=O)CCC1=O	ZINC000225494027	569401377	/nfs/dbraw/zinc/40/13/77/569401377.db2.gz	CVDHREQFPDVVGT-UHFFFAOYSA-N	-1	1	405.388	2.058	40	5		HEBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399225	527375599	/nfs/dbraw/zinc/37/55/99/527375599.db2.gz	DFBWYDIICKWMTI-AWEZNQCLSA-N	-1	1	420.385	2.486	40	5		HEBBMM
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399222	527436980	/nfs/dbraw/zinc/43/69/80/527436980.db2.gz	LDOGWKPDUDGXST-GFCCVEGCSA-N	-1	1	420.385	2.486	40	5		HEBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1	ZINC000408609356	559221284	/nfs/dbraw/zinc/22/12/84/559221284.db2.gz	SQLVZENDSUXUDK-UHFFFAOYSA-N	-1	1	419.459	2.485	40	5		HEBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1	ZINC000223248350	568928059	/nfs/dbraw/zinc/92/80/59/568928059.db2.gz	FEKFVZZJKSDHBF-UHFFFAOYSA-N	-1	1	407.448	2.479	40	5		HEBBMM
Cc1c([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000020105783	568587877	/nfs/dbraw/zinc/58/78/77/568587877.db2.gz	QPXPUXSAWKEGKP-UHFFFAOYSA-N	-1	1	402.432	2.335	40	5		HEBBMM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=S)N(C4CC4)C3=O)[C@@H]2C1	ZINC000008739146	132332819	/nfs/dbraw/zinc/33/28/19/132332819.db2.gz	FOKAVCWXEQFMQC-XITNVPRNSA-N	-1	1	414.487	2.148	40	5		HEBBMM
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399221	527436782	/nfs/dbraw/zinc/43/67/82/527436782.db2.gz	LDOGWKPDUDGXST-LBPRGKRZSA-N	-1	1	420.385	2.486	40	5		HEBBMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1	ZINC000223762223	569031530	/nfs/dbraw/zinc/03/15/30/569031530.db2.gz	KIUFGPKHCLLUKS-UHFFFAOYSA-N	-1	1	404.404	2.440	40	5		HEBBMM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1	ZINC000223762130	569031560	/nfs/dbraw/zinc/03/15/60/569031560.db2.gz	LILWGWPPOMUDMF-UHFFFAOYSA-N	-1	1	404.404	2.440	40	5		HEBBMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1C	ZINC000408601380	559220515	/nfs/dbraw/zinc/22/05/15/559220515.db2.gz	GEMRAHYCMLOWCX-UHFFFAOYSA-N	-1	1	407.448	2.389	40	5		HEBBMM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=S)N(C4CC4)C3=O)[C@@H]2C1	ZINC000017057401	569272519	/nfs/dbraw/zinc/27/25/19/569272519.db2.gz	FOKAVCWXEQFMQC-QUGJLEDBSA-N	-1	1	414.487	2.148	40	5		HEBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1	ZINC000408613078	559221573	/nfs/dbraw/zinc/22/15/73/559221573.db2.gz	ZTTJAACRGCRCIV-UHFFFAOYSA-N	-1	1	405.432	2.176	40	5		HEBBMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1	ZINC000223248939	568928065	/nfs/dbraw/zinc/92/80/65/568928065.db2.gz	XCRSMLXKJMAEFO-UHFFFAOYSA-N	-1	1	407.448	2.479	40	5		HEBBMM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399224	527261919	/nfs/dbraw/zinc/26/19/19/527261919.db2.gz	PTJOYNNXEAKHRS-CQSZACIVSA-N	-1	1	420.385	2.486	40	5		HEBBMM
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1)N1CCCCC1	ZINC000408605537	559221076	/nfs/dbraw/zinc/22/10/76/559221076.db2.gz	LYJGQLXETVVYQT-RMKNXTFCSA-N	-1	1	400.391	2.358	40	5		HEBBMM
Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)[O-])o1	ZINC000408632086	559222440	/nfs/dbraw/zinc/22/24/40/559222440.db2.gz	PQBNIZFZUZAVDA-XNTDXEJSSA-N	-1	1	405.436	2.256	40	5		HEBBMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000223591275	569030574	/nfs/dbraw/zinc/03/05/74/569030574.db2.gz	HVGFHBJTDMRSKW-UHFFFAOYSA-N	-1	1	420.403	2.141	40	5		HEBBMM
CC[C@@H](C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008997069	132334785	/nfs/dbraw/zinc/33/47/85/132334785.db2.gz	FTULSNBLRBFGCO-RRBXVBTKSA-N	-1	1	400.435	2.373	40	5		HEBBMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000408602841	559220600	/nfs/dbraw/zinc/22/06/00/559220600.db2.gz	JKEMNUOQXZKASI-UHFFFAOYSA-N	-1	1	407.448	2.389	40	5		HEBBMM