smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)c1ccc2c(c1)C(=NNc1ccc(N)cc1[N+](=O)[O-])C(=O)C=C2	ZINC000038171459	211698064	/nfs/dbraw/zinc/69/80/64/211698064.db2.gz	ACJZSAIXKMKOEZ-UHFFFAOYSA-O	1	0	366.401	4.648	40	10		FJCBRO
CC[NH+](CC)Cc1cc2c(cc1O)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000006382504	570646372	/nfs/dbraw/zinc/64/63/72/570646372.db2.gz	SYEMTPLYSXPSEN-XNSSQMBPSA-N	1	0	355.522	4.659	40	10		FJCBRO
CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1	ZINC000035442903	204282430	/nfs/dbraw/zinc/28/24/30/204282430.db2.gz	UKEBYRCTXKAKCX-HNNXBMFYSA-N	1	0	355.869	4.537	40	10	biogenic,in-vitro	FJCBRO
CC[NH+](CC)Cc1cc2c(cc1O)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000006382505	570646319	/nfs/dbraw/zinc/64/63/19/570646319.db2.gz	SYEMTPLYSXPSEN-IVKZONNUSA-N	1	0	355.522	4.659	40	10		FJCBRO
Cc1ccc(O)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2Cl)c1	ZINC000036740303	571081531	/nfs/dbraw/zinc/08/15/31/571081531.db2.gz	XLXKJUKXTFHLCY-UHFFFAOYSA-N	1	0	369.896	4.643	40	10		FJCBRO
CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2)cc1	ZINC000001700099	204017475	/nfs/dbraw/zinc/01/74/75/204017475.db2.gz	KKWVWDOPQUNOJR-UHFFFAOYSA-N	1	0	361.327	4.927	40	10		FJCBRO
CC[NH+](CC)Cc1cc2c(cc1O)CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000006382507	204247177	/nfs/dbraw/zinc/24/71/77/204247177.db2.gz	SYEMTPLYSXPSEN-DSXMGRQXSA-N	1	0	355.522	4.659	40	10		FJCBRO
Cc1ccc2cc3c(ccc(/C=C/c4ccc(N(C)C)cc4)[n+]3C)cc2n1	ZINC000005337733	570624119	/nfs/dbraw/zinc/62/41/19/570624119.db2.gz	RMAVAQVXXKVLKP-UHFFFAOYSA-N	1	0	354.477	4.757	40	10		FJCBRO
CC[NH+](CC)Cc1cc(Nc2cc(OC)cc3cccnc32)ccc1O	ZINC000001717455	570505496	/nfs/dbraw/zinc/50/54/96/570505496.db2.gz	NLPUHOPTKPSLPC-UHFFFAOYSA-N	1	0	351.450	4.534	40	10		FJCBRO
Cc1ccc(N=[N+](NN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1	ZINC000408720370	570675701	/nfs/dbraw/zinc/67/57/01/570675701.db2.gz	MFMQDQBBELQEIJ-UHFFFAOYSA-N	1	0	371.420	4.638	40	10		FJCBRO
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000003954450	560191788	/nfs/dbraw/zinc/19/17/88/560191788.db2.gz	QDTNJAYLSJACEQ-UHFFFAOYSA-N	1	0	363.442	4.503	40	10	in-vitro	FJCBRO
CC[NH+](CC)Cc1cc2c(cc1O)CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000006382508	570646263	/nfs/dbraw/zinc/64/62/63/570646263.db2.gz	SYEMTPLYSXPSEN-DNGCBJQESA-N	1	0	355.522	4.659	40	10		FJCBRO
OC1(c2ccccc2)CCN(c2c3ccccc3[nH+]c3ccccc32)CC1	ZINC000031750253	571055541	/nfs/dbraw/zinc/05/55/41/571055541.db2.gz	DRWCZCTXMQCLFM-UHFFFAOYSA-N	1	0	354.453	4.876	40	10		FJCBRO
CC[NH+](CC)Cc1cc(Nc2ncnc3sc(C)c(C)c32)ccc1O	ZINC000001560348	570501865	/nfs/dbraw/zinc/50/18/65/570501865.db2.gz	QRVKUAPIIZUAEE-UHFFFAOYSA-N	1	0	356.495	4.599	40	10		FJCBRO
Cc1ccc2c(ccc3c2ccc(/C=C/c2ccc(N(C)C)cc2)[n+]3C)n1	ZINC000005337729	263340204	/nfs/dbraw/zinc/34/02/04/263340204.db2.gz	IAFNKRUQTXLWKR-UHFFFAOYSA-N	1	0	354.477	4.757	40	10		FJCBRO