smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c([O-])ccc([N+](=O)[O-])c4C[C@H]3C[C@@H]12	ZINC000004217155	194385180	/nfs/dbraw/zinc/38/51/80/194385180.db2.gz	PHMPSHIUYYLXKR-UVPAEMEASA-N	-3	3	459.411	0.029	10	30	in-man	JCEEHL
CN(C)c1ccc2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3C[C@@H]1C2	ZINC000013736628	555606391	/nfs/dbraw/zinc/60/63/91/555606391.db2.gz	OKFZIWLJQFWHMA-SEEQWMCZSA-N	-2	3	457.483	0.187	10	30	in-vitro	JCEEHL
CN(C)c1ccc2c(c1O)C([O-])=C1C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2	ZINC000013736628	555606388	/nfs/dbraw/zinc/60/63/88/555606388.db2.gz	OKFZIWLJQFWHMA-SEEQWMCZSA-N	-2	3	457.483	0.187	10	30	in-vitro	JCEEHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000013783448	562992847	/nfs/dbraw/zinc/99/28/47/562992847.db2.gz	GGQJXCQBBONZFX-MLIDHKFDSA-N	-2	3	476.869	0.216	10	30		JCEEHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000013783448	562992846	/nfs/dbraw/zinc/99/28/46/562992846.db2.gz	GGQJXCQBBONZFX-MLIDHKFDSA-N	-2	3	476.869	0.216	10	30		JCEEHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000016186303	522239144	/nfs/dbraw/zinc/23/91/44/522239144.db2.gz	DYKFCLLONBREIL-MJPDVNATSA-N	-2	3	457.483	0.187	10	30	in-vitro	JCEEHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000016186303	522239134	/nfs/dbraw/zinc/23/91/34/522239134.db2.gz	DYKFCLLONBREIL-MJPDVNATSA-N	-2	3	457.483	0.187	10	30	in-vitro	JCEEHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000016186307	522237742	/nfs/dbraw/zinc/23/77/42/522237742.db2.gz	DYKFCLLONBREIL-HZPWUIJBSA-N	-2	3	457.483	0.187	10	30		JCEEHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000016186307	522237733	/nfs/dbraw/zinc/23/77/33/522237733.db2.gz	DYKFCLLONBREIL-HZPWUIJBSA-N	-2	3	457.483	0.187	10	30		JCEEHL
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2[O-])O1	ZINC000035079663	563118947	/nfs/dbraw/zinc/11/89/47/563118947.db2.gz	UPNOFARSRPSEFA-YNEHKIRRSA-N	-2	3	450.433	0.029	10	30		JCEEHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2[O-])C[C@H]1O	ZINC000035079673	563118953	/nfs/dbraw/zinc/11/89/53/563118953.db2.gz	YBZCASUHULQPTN-DKRRZFASSA-N	-2	3	450.433	0.029	10	30		JCEEHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000036385180	563128588	/nfs/dbraw/zinc/12/85/88/563128588.db2.gz	GGQJXCQBBONZFX-DZZAAQMJSA-N	-2	3	476.869	0.216	10	30		JCEEHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000036385180	563128586	/nfs/dbraw/zinc/12/85/86/563128586.db2.gz	GGQJXCQBBONZFX-DZZAAQMJSA-N	-2	3	476.869	0.216	10	30		JCEEHL
CCN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000077292381	569705549	/nfs/dbraw/zinc/70/55/49/569705549.db2.gz	NZYQBUHFIHFYPU-LRSHKJBPSA-N	-2	3	471.510	0.577	10	30	in-vitro	JCEEHL
CCN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000077292381	569705547	/nfs/dbraw/zinc/70/55/47/569705547.db2.gz	NZYQBUHFIHFYPU-LRSHKJBPSA-N	-2	3	471.510	0.577	10	30	in-vitro	JCEEHL
CN(C)c1ccc(O)c2c([O-])c3c(cc12)C[C@H]1[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]1(O)C3=O	ZINC000077300767	569705759	/nfs/dbraw/zinc/70/57/59/569705759.db2.gz	GUNFOZREGBRAGY-RYNWUYHSSA-N	-2	3	455.467	0.213	10	30	in-vitro	JCEEHL