smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc(-n2cnc3c2CNCC3)nc1C1C[NH2+]C1	ZINC001164317704	833205585	/nfs/dbraw/zinc/20/55/85/833205585.db2.gz	WTIMFNTXUDAUOY-UHFFFAOYSA-N	1	3	301.310	-0.097	20	5		DBBDHO
[NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2[n-]cc([N+](=O)[O-])c21	ZINC001169072282	833333938	/nfs/dbraw/zinc/33/39/38/833333938.db2.gz	QEPWGZIDOJRUBR-SSDOTTSWSA-N	1	3	303.282	-0.086	20	5		DBBDHO
C[C@@H](N)c1ccn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001158348301	832106259	/nfs/dbraw/zinc/10/62/59/832106259.db2.gz	FKIWGPGBRBVULB-SECBINFHSA-N	1	3	318.341	0.000	20	5		DBBDHO
C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1CNCCO1	ZINC001159503620	832822637	/nfs/dbraw/zinc/82/26/37/832822637.db2.gz	YKUUOVMTHRCBEA-KWQFWETISA-N	1	3	308.342	-0.140	20	5		DBBDHO
CN(C)C1(C)CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165117000	833229084	/nfs/dbraw/zinc/22/90/84/833229084.db2.gz	OHABFGYYGDDLFH-UHFFFAOYSA-N	1	3	321.385	-0.065	20	5		DBBDHO
CN1CCN(C(=N)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1	ZINC001168736898	833326969	/nfs/dbraw/zinc/32/69/69/833326969.db2.gz	RMPZVKUAUPPCKO-UHFFFAOYSA-N	1	3	320.357	-0.334	20	5		DBBDHO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C[C@H](N)C(N)=O)cc1	ZINC001218222973	978822593	/nfs/dbraw/zinc/82/25/93/978822593.db2.gz	BQTYSGFBUJBBRM-OCCSQVGLSA-O	1	3	324.401	-0.596	20	5		DBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000539026799	374902298	/nfs/dbraw/zinc/90/22/98/374902298.db2.gz	UDUYIGHXTFXKGE-UHFFFAOYSA-N	1	3	312.374	-0.106	20	5		DBBDHO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1	ZINC000521436183	266327404	/nfs/dbraw/zinc/32/74/04/266327404.db2.gz	OAVPSYIJOTWMGH-OLZOCXBDSA-N	1	3	313.358	-0.802	20	5		DBBDHO
C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@@H]1CNCCO1	ZINC001170575406	833355988	/nfs/dbraw/zinc/35/59/88/833355988.db2.gz	YMRQCINTYCWFQQ-SCZZXKLOSA-N	1	3	308.342	-0.140	20	5		DBBDHO
Cc1cc(CN)nn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156038460	831965600	/nfs/dbraw/zinc/96/56/00/831965600.db2.gz	SMEXAOPUYDYXTM-UHFFFAOYSA-N	1	3	318.341	-0.253	20	5		DBBDHO
C[C@H](N)c1ccn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001158348302	832106690	/nfs/dbraw/zinc/10/66/90/832106690.db2.gz	FKIWGPGBRBVULB-VIFPVBQESA-N	1	3	318.341	0.000	20	5		DBBDHO
C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CNCCO1	ZINC001159503621	832822344	/nfs/dbraw/zinc/82/23/44/832822344.db2.gz	YKUUOVMTHRCBEA-LDYMZIIASA-N	1	3	308.342	-0.140	20	5		DBBDHO
NCc1cn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cn1	ZINC001154907102	831906356	/nfs/dbraw/zinc/90/63/56/831906356.db2.gz	VQGNLVHXVXFGQM-UHFFFAOYSA-N	1	3	304.314	-0.561	20	5		DBBDHO
O=[N+]([O-])c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)nc1C1C[NH2+]C1	ZINC001165274619	833234422	/nfs/dbraw/zinc/23/44/22/833234422.db2.gz	DOAVANNANLIQHC-JQWIXIFHSA-N	1	3	320.353	-0.361	20	5		DBBDHO
CN1CCN(CCCOC(=O)C[C@@H](O)C[N+](C)(C)C)CC1	ZINC001206591927	835405084	/nfs/dbraw/zinc/40/50/84/835405084.db2.gz	YBVDMZMZCIMRGL-CQSZACIVSA-N	1	3	302.439	-0.376	20	5		DBBDHO
Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC[NH+](C)C	ZINC001165794377	833259477	/nfs/dbraw/zinc/25/94/77/833259477.db2.gz	UGSQKZLHCDVJAM-UHFFFAOYSA-N	1	3	312.374	-0.124	20	5		DBBDHO
C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@H]1CNCCO1	ZINC001170575407	833356071	/nfs/dbraw/zinc/35/60/71/833356071.db2.gz	YMRQCINTYCWFQQ-WCBMZHEXSA-N	1	3	308.342	-0.140	20	5		DBBDHO
C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1CNCCO1	ZINC001159503619	832822095	/nfs/dbraw/zinc/82/20/95/832822095.db2.gz	YKUUOVMTHRCBEA-KCJUWKMLSA-N	1	3	308.342	-0.140	20	5		DBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000119614225	374406879	/nfs/dbraw/zinc/40/68/79/374406879.db2.gz	QMUYGXSQKSPBQP-UHFFFAOYSA-N	1	3	312.374	-0.106	20	5		DBBDHO
[NH3+]CCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000430630523	266009185	/nfs/dbraw/zinc/00/91/85/266009185.db2.gz	SGMLIMIGJKQLTJ-LLVKDONJSA-N	1	3	310.358	-0.422	20	5		DBBDHO
O=[N+]([O-])c1cnc(-n2ncc3c2CCNC3)nc1C1C[NH2+]C1	ZINC001165222652	833231786	/nfs/dbraw/zinc/23/17/86/833231786.db2.gz	GNFWWJDXBQWGEA-UHFFFAOYSA-N	1	3	301.310	-0.097	20	5		DBBDHO
[NH3+]CCNC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000430621753	266010252	/nfs/dbraw/zinc/01/02/52/266010252.db2.gz	DFRWVRBMXCZVLK-LLVKDONJSA-N	1	3	310.358	-0.422	20	5		DBBDHO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1	ZINC000521436184	266327710	/nfs/dbraw/zinc/32/77/10/266327710.db2.gz	OAVPSYIJOTWMGH-QWHCGFSZSA-N	1	3	313.358	-0.802	20	5		DBBDHO
C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CNCCO1	ZINC001159503618	832821758	/nfs/dbraw/zinc/82/17/58/832821758.db2.gz	YKUUOVMTHRCBEA-GZMMTYOYSA-N	1	3	308.342	-0.140	20	5		DBBDHO
[NH3+]CCNC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000430621754	266009710	/nfs/dbraw/zinc/00/97/10/266009710.db2.gz	DFRWVRBMXCZVLK-NSHDSACASA-N	1	3	310.358	-0.422	20	5		DBBDHO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1	ZINC000521436182	266328657	/nfs/dbraw/zinc/32/86/57/266328657.db2.gz	OAVPSYIJOTWMGH-CHWSQXEVSA-N	1	3	313.358	-0.802	20	5		DBBDHO
C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@@H]1CNCCO1	ZINC001170575408	833356076	/nfs/dbraw/zinc/35/60/76/833356076.db2.gz	YMRQCINTYCWFQQ-WPRPVWTQSA-N	1	3	308.342	-0.140	20	5		DBBDHO
C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@H]1CNCCO1	ZINC001170575405	833356102	/nfs/dbraw/zinc/35/61/02/833356102.db2.gz	YMRQCINTYCWFQQ-PSASIEDQSA-N	1	3	308.342	-0.140	20	5		DBBDHO
[NH3+]CCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000430630525	266008745	/nfs/dbraw/zinc/00/87/45/266008745.db2.gz	SGMLIMIGJKQLTJ-NSHDSACASA-N	1	3	310.358	-0.422	20	5		DBBDHO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1	ZINC000521436185	266327998	/nfs/dbraw/zinc/32/79/98/266327998.db2.gz	OAVPSYIJOTWMGH-STQMWFEESA-N	1	3	313.358	-0.802	20	5		DBBDHO