smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([N-]c2ncnc(Nc3ccc(Cl)cc3)c2[N+](=O)[O-])n1	ZINC000040584707	205073754	/nfs/dbraw/zinc/07/37/54/205073754.db2.gz	ILVLZNDGQQXOCE-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1cccc(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])c1	ZINC000040648575	205075593	/nfs/dbraw/zinc/07/55/93/205075593.db2.gz	SMNSGXHLKDWFEF-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
O=C([O-])[C@H]1CCCC[C@@H]1N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O	ZINC000044069114	205106293	/nfs/dbraw/zinc/10/62/93/205106293.db2.gz	IIJKRPVAVXANME-PXNSSMCTSA-N	-1	0	373.408	4.232	10	5		FIBERM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1Cl	ZINC000040590963	205074574	/nfs/dbraw/zinc/07/45/74/205074574.db2.gz	SECLBLXVTFZTOC-UHFFFAOYSA-N	-1	0	362.802	4.290	10	5		FIBERM
Cc1cc([N-]c2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])no1	ZINC000040582017	205072512	/nfs/dbraw/zinc/07/25/12/205072512.db2.gz	XRZXIXVMNTWEMG-UHFFFAOYSA-N	-1	0	360.761	4.130	10	5		FIBERM
CC(C)(C)OC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-]	ZINC000002528636	204043685	/nfs/dbraw/zinc/04/36/85/204043685.db2.gz	AMDKTTHOWXRDEA-UHFFFAOYSA-N	-1	0	364.379	4.369	10	5		FIBERM
Cc1ccnc([N-]c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])c1	ZINC000040588255	205073009	/nfs/dbraw/zinc/07/30/09/205073009.db2.gz	NZGNFIHTDQAAFL-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1ccnc([N-]c2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])c1	ZINC000040588251	205073263	/nfs/dbraw/zinc/07/32/63/205073263.db2.gz	ZAAHXJVGZXUTIX-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Sc1ccc(Cl)cc1	ZINC000040607642	205074232	/nfs/dbraw/zinc/07/42/32/205074232.db2.gz	HLPKUFFZOIKTSL-UHFFFAOYSA-N	-1	0	365.827	4.390	10	5		FIBERM
Cc1ccc(Nc2ncnc([N-]c3ccc(Cl)cn3)c2[N+](=O)[O-])cc1	ZINC000040646991	205074387	/nfs/dbraw/zinc/07/43/87/205074387.db2.gz	YUPUWWIBBSFEAU-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1cc(Cl)ccc1Nc1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040590525	205074616	/nfs/dbraw/zinc/07/46/16/205074616.db2.gz	WJPZLHFGVHLTTI-UHFFFAOYSA-N	-1	0	362.802	4.290	10	5		FIBERM
Cc1cc([N-]c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])no1	ZINC000040582043	205073323	/nfs/dbraw/zinc/07/33/23/205073323.db2.gz	BYZRRNIKXIDQAF-UHFFFAOYSA-N	-1	0	363.786	4.229	10	5		FIBERM
Cc1cccnc1[N-]c1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]	ZINC000040625978	205073924	/nfs/dbraw/zinc/07/39/24/205073924.db2.gz	KRCJCQLTDOKLCQ-UHFFFAOYSA-N	-1	0	374.763	4.368	10	5		FIBERM
Cc1ccnc([N-]c2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])c1	ZINC000040582908	205072456	/nfs/dbraw/zinc/07/24/56/205072456.db2.gz	OGQUXTHGBVKLER-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
Cc1ccnc([N-]c2ncnc(Nc3ccc(Cl)cc3)c2[N+](=O)[O-])c1	ZINC000040588259	205073490	/nfs/dbraw/zinc/07/34/90/205073490.db2.gz	STYFFJIVGUCZIA-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1ccc(Nc2ncnc([N-]c3cccc(C)n3)c2[N+](=O)[O-])c(C)c1	ZINC000040584624	205073608	/nfs/dbraw/zinc/07/36/08/205073608.db2.gz	AKNOLYVWOPTNNY-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1Sc1ccccc1	ZINC000040650176	205076023	/nfs/dbraw/zinc/07/60/23/205076023.db2.gz	UZQTXTIZOBGQRD-UHFFFAOYSA-N	-1	0	359.798	4.328	10	5		FIBERM
Cc1ccccc1Nc1ncnc([N-]c2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040648101	205076424	/nfs/dbraw/zinc/07/64/24/205076424.db2.gz	BCCSFUADEGYDPE-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
CC(C)(C)OC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000002528637	204044033	/nfs/dbraw/zinc/04/40/33/204044033.db2.gz	JSEFLWTUTSWOSD-UHFFFAOYSA-N	-1	0	364.379	4.369	10	5		FIBERM
Cc1cccc([N-]c2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])n1	ZINC000040584512	208256881	/nfs/dbraw/zinc/25/68/81/208256881.db2.gz	GEJOOAZPLRIPEW-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
Cc1cc([N-]c2ncnc(Nc3cccc(Cl)c3C)c2[N+](=O)[O-])no1	ZINC000040581999	208257319	/nfs/dbraw/zinc/25/73/19/208257319.db2.gz	VXFHVRHECSZKRW-UHFFFAOYSA-N	-1	0	360.761	4.130	10	5		FIBERM
Cc1cc(C)cc(Oc2ncnc([N-]c3cccc(C)n3)c2[N+](=O)[O-])c1	ZINC000040582462	208256759	/nfs/dbraw/zinc/25/67/59/208256759.db2.gz	IZNPFKBUSATBMO-UHFFFAOYSA-N	-1	0	351.366	4.241	10	5		FIBERM
Cc1cc(Oc2nc[n-]c(=NNC(C)(C)C)c2[N+](=O)[O-])cc(C)c1Cl	ZINC000040659900	208261220	/nfs/dbraw/zinc/26/12/20/208261220.db2.gz	LXPXWFYLBTVQDL-UHFFFAOYSA-N	-1	0	365.821	4.162	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Nc1cccc2ccccc21	ZINC000040627079	208259297	/nfs/dbraw/zinc/25/92/97/208259297.db2.gz	CZVWZIURQPDBLY-UHFFFAOYSA-N	-1	0	364.390	4.482	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccc(F)c(Cl)c1	ZINC000040646868	208261414	/nfs/dbraw/zinc/26/14/14/208261414.db2.gz	HSZBWGDFDPJTPJ-UHFFFAOYSA-N	-1	0	360.736	4.060	10	5		FIBERM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc([N+](=O)[O-])c3ccccc32)cc1	ZINC000005332486	207093893	/nfs/dbraw/zinc/09/38/93/207093893.db2.gz	LVNSNNRYQJNKJI-UHFFFAOYSA-N	-1	0	356.403	4.166	10	5		FIBERM
CCc1ccc(Oc2nc[n-]c(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624765	208257997	/nfs/dbraw/zinc/25/79/97/208257997.db2.gz	KOFJKGKXNNVKCS-UHFFFAOYSA-N	-1	0	351.366	4.179	10	5		FIBERM
Cc1ccc(Sc2nc[n-]c(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624518	208258497	/nfs/dbraw/zinc/25/84/97/208258497.db2.gz	CYRBJXBFRXMCFY-UHFFFAOYSA-N	-1	0	353.407	4.283	10	5		FIBERM
Cc1cc(Cl)ccc1Nc1ncnc([N-]c2ccccn2)c1[N+](=O)[O-]	ZINC000040590515	208258785	/nfs/dbraw/zinc/25/87/85/208258785.db2.gz	KJUXXPBGVTVCTP-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1ccc(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])cc1	ZINC000040649030	208260271	/nfs/dbraw/zinc/26/02/71/208260271.db2.gz	UJNQIDUSBMQJFQ-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
Cc1ccccc1Nc1ncnc([N-]c2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000040646974	208260390	/nfs/dbraw/zinc/26/03/90/208260390.db2.gz	JBZMSTXJVAHGAG-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1Nc1ccc(F)cc1	ZINC000040649443	208261760	/nfs/dbraw/zinc/26/17/60/208261760.db2.gz	GYHYJOLJBKGITR-UHFFFAOYSA-N	-1	0	360.736	4.060	10	5		FIBERM
CCN(c1ccccc1)c1ncnc([N-]c2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040573615	208256654	/nfs/dbraw/zinc/25/66/54/208256654.db2.gz	SJZWDKNHBQFQFM-UHFFFAOYSA-N	-1	0	370.800	4.335	10	5		FIBERM
Cc1ccnc([N-]c2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])c1	ZINC000040588156	208257078	/nfs/dbraw/zinc/25/70/78/208257078.db2.gz	ZDIBSFAHJYTWPE-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
Cc1ccc(Nc2ncnc([N-]c3ncccc3C)c2[N+](=O)[O-])c(C)c1	ZINC000040620956	208259535	/nfs/dbraw/zinc/25/95/35/208259535.db2.gz	MRORVMDCDAHRFE-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1NC1CCCCCC1	ZINC000040661291	208261057	/nfs/dbraw/zinc/26/10/57/208261057.db2.gz	WKEFYKZFPQAZPD-UHFFFAOYSA-N	-1	0	362.821	4.312	10	5		FIBERM
Cc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000011689995	207318575	/nfs/dbraw/zinc/31/85/75/207318575.db2.gz	BFBAATKGQSICKR-UHFFFAOYSA-N	-1	0	366.329	4.114	10	5		FIBERM
Cc1cc([N-]c2ncnc(Nc3cccc4ccccc43)c2[N+](=O)[O-])no1	ZINC000040582153	208257662	/nfs/dbraw/zinc/25/76/62/208257662.db2.gz	JNERKBGVVVYEDP-UHFFFAOYSA-N	-1	0	362.349	4.322	10	5		FIBERM
Cc1cccnc1[N-]c1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040625777	208258828	/nfs/dbraw/zinc/25/88/28/208258828.db2.gz	JVVVSRMXSCPTLO-UHFFFAOYSA-N	-1	0	356.773	4.229	10	5		FIBERM
CC(C)c1ccc(Nc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040594541	208259018	/nfs/dbraw/zinc/25/90/18/208259018.db2.gz	FMTOMNSEFBQSFT-UHFFFAOYSA-N	-1	0	350.382	4.390	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2ccc(Cl)cn2)ncnc1Nc1ccc(F)cc1	ZINC000040647000	208261381	/nfs/dbraw/zinc/26/13/81/208261381.db2.gz	TXORTOFVBNVDNT-UHFFFAOYSA-N	-1	0	360.736	4.060	10	5		FIBERM
Cc1cc([N-]c2ncnc(Oc3cccc4ccccc43)c2[N+](=O)[O-])no1	ZINC000040581959	208257228	/nfs/dbraw/zinc/25/72/28/208257228.db2.gz	DTPAHRVOWGCSGE-UHFFFAOYSA-N	-1	0	363.333	4.370	10	5		FIBERM
Cc1cccnc1[N-]c1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040625696	208258039	/nfs/dbraw/zinc/25/80/39/208258039.db2.gz	UIFSMCNYZQTBFC-UHFFFAOYSA-N	-1	0	373.376	4.124	10	5		FIBERM
Cc1nc([N-]c2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])sc1C	ZINC000040648009	208262027	/nfs/dbraw/zinc/26/20/27/208262027.db2.gz	GTOMEIVRNJUQPI-UHFFFAOYSA-N	-1	0	356.411	4.254	10	5		FIBERM
Cc1ccc(Cl)cc1Nc1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040592718	211749099	/nfs/dbraw/zinc/74/90/99/211749099.db2.gz	OAGVSDNOHJBLHS-UHFFFAOYSA-N	-1	0	362.802	4.290	10	5		FIBERM
Cc1cccc2sc([N-]c3ncnc(NC(C)(C)C)c3[N+](=O)[O-])nc21	ZINC000040581752	211747276	/nfs/dbraw/zinc/74/72/76/211747276.db2.gz	RVYADQCVOVPDGC-UHFFFAOYSA-N	-1	0	358.427	4.257	10	5		FIBERM
Cc1cccnc1[N-]c1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040618422	211751442	/nfs/dbraw/zinc/75/14/42/211751442.db2.gz	WWGWGBXAOXAYTR-UHFFFAOYSA-N	-1	0	374.360	4.172	10	5		FIBERM
Cc1nc([N-]c2ncnc(Oc3ccc(C)cc3)c2[N+](=O)[O-])sc1C	ZINC000040650024	211751599	/nfs/dbraw/zinc/75/15/99/211751599.db2.gz	AXKSFWXAGLSRSW-UHFFFAOYSA-N	-1	0	357.395	4.302	10	5		FIBERM
O=[N+]([O-])c1c([N-]c2nc3ccccc3s2)ncnc1N1CCCCCC1	ZINC000040610032	211749827	/nfs/dbraw/zinc/74/98/27/211749827.db2.gz	XVZXKOBXOBWZIQ-UHFFFAOYSA-N	-1	0	370.438	4.119	10	5		FIBERM
Cc1cc([N-]c2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])no1	ZINC000040582011	220911047	/nfs/dbraw/zinc/91/10/47/220911047.db2.gz	KGBMYVUHJHASDQ-UHFFFAOYSA-N	-1	0	360.761	4.130	10	5		FIBERM
Cc1cc(C)cc(Nc2ncnc([N-]c3ncccc3C)c2[N+](=O)[O-])c1	ZINC000040582983	220910289	/nfs/dbraw/zinc/91/02/89/220910289.db2.gz	XLSZTWAYENRDRO-UHFFFAOYSA-N	-1	0	350.382	4.192	10	5		FIBERM
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1Br	ZINC000036961430	571264351	/nfs/dbraw/zinc/26/43/51/571264351.db2.gz	CRGGQONXAXPKGC-UHFFFAOYSA-N	-1	0	354.181	4.207	10	5		FIBERM
O=C([O-])[C@@H]1CCCC[C@H]1N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O	ZINC000044069110	571101449	/nfs/dbraw/zinc/10/14/49/571101449.db2.gz	IIJKRPVAVXANME-YLJYHZDGSA-N	-1	0	373.408	4.232	10	5		FIBERM
O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000020334075	220322045	/nfs/dbraw/zinc/32/20/45/220322045.db2.gz	BBPQHIFRTFCUSI-UHFFFAOYSA-N	-1	0	368.370	4.274	10	5		FIBERM