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)N1CCN(/[N+](O)=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000040566971	205072178	/nfs/dbraw/zinc/07/21/78/205072178.db2.gz	VUWQXQXCPDFPCD-QGOAFFKASA-N	1	0	370.278	1.058	1	10		FDCFRO
C[n+]1c2ccccc2c(N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c2ccccc21	ZINC000005884089	204229418	/nfs/dbraw/zinc/22/94/18/204229418.db2.gz	YPSLKHUOUIMZII-OAHLLOKOSA-O	1	0	366.445	1.946	1	10		FDCFRO
COc1cc(OC)cc(-[n+]2nn(C)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000169310476	206249426	/nfs/dbraw/zinc/24/94/26/206249426.db2.gz	UYORTHKPYTXBRL-UHFFFAOYSA-N	1	0	350.354	1.489	1	10		FDCFRO
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1	ZINC000064622673	136133528	/nfs/dbraw/zinc/13/35/28/136133528.db2.gz	GPQRNZJCZKBIBV-MDNKFWRPSA-N	1	0	374.481	1.800	1	10		FDCFRO
CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000103955769	209256291	/nfs/dbraw/zinc/25/62/91/209256291.db2.gz	NOSSHDVZLGRGSS-NLDJYOPPSA-N	1	0	373.453	1.340	1	10		FDCFRO
COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1	ZINC000064672429	136133606	/nfs/dbraw/zinc/13/36/06/136133606.db2.gz	GPQRNZJCZKBIBV-RNQOJCNYSA-N	1	0	374.481	1.800	1	10		FDCFRO
COC(=O)N1CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000013831459	211061393	/nfs/dbraw/zinc/06/13/93/211061393.db2.gz	VUWQXQXCPDFPCD-AQTBWJFISA-N	1	0	370.278	1.058	1	10		FDCFRO
CC(C)CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[NH3+]	ZINC000096937352	222143994	/nfs/dbraw/zinc/14/39/94/222143994.db2.gz	MMKLRNXGWRYZGU-ZDUSSCGKSA-N	1	0	352.431	1.452	1	10		FDCFRO
COc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(N)cc3)CC2)n1	ZINC000029551419	537123471	/nfs/dbraw/zinc/12/34/71/537123471.db2.gz	JJBFLDDWHPWOKS-UHFFFAOYSA-N	1	0	355.442	1.823	1	10		FDCFRO
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000000601286	219304652	/nfs/dbraw/zinc/30/46/52/219304652.db2.gz	KPJZHOPZRAFDTN-DOXZYTNZSA-N	1	0	353.466	1.935	1	10		FDCFRO
COc1cc(N(C)C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)cc(OC)c1OC	ZINC000005849830	207118888	/nfs/dbraw/zinc/11/88/88/207118888.db2.gz	LKRXQZIHVMYTOZ-LLVKDONJSA-N	1	0	373.457	1.908	1	10		FDCFRO
c1cc(N2CCc3c2nc(N2CCOCC2)nc3-c2cncnc2)cc[nH+]1	ZINC000095593836	132215913	/nfs/dbraw/zinc/21/59/13/132215913.db2.gz	RXWWJMGHOJYAPM-UHFFFAOYSA-N	1	0	361.409	1.859	1	10		FDCFRO
C[N+]1(Cc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CCOCC1	ZINC000071316764	221341147	/nfs/dbraw/zinc/34/11/47/221341147.db2.gz	KVSCPAYMEBQGPE-UHFFFAOYSA-O	1	0	354.382	1.850	1	10		FDCFRO
C[n+]1c2ccccc2c(N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c2ccccc21	ZINC000017193641	220208912	/nfs/dbraw/zinc/20/89/12/220208912.db2.gz	YPSLKHUOUIMZII-HNNXBMFYSA-O	1	0	366.445	1.946	1	10		FDCFRO
COc1cc(OC)c2c(c1)C(=O)c1cc(C[NH2+]CCO)cc(OC)c1C2=O	ZINC000029338249	220601768	/nfs/dbraw/zinc/60/17/68/220601768.db2.gz	YLQGCNGSCYMKPD-UHFFFAOYSA-N	1	0	371.389	1.570	1	10		FDCFRO
[NH3+]CC(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447394	221146384	/nfs/dbraw/zinc/14/63/84/221146384.db2.gz	MOSBBOZCMNYAOV-UHFFFAOYSA-N	1	0	361.401	1.678	1	10		FDCFRO