smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2ccc([O-])c3c2CC[NH2+][C@@H]3C)c2c1C(=O)CCC2	ZINC000100003285	291008448	/nfs/dbraw/zinc/00/84/48/291008448.db2.gz	DYJGDVCTHGRZQM-GFCCVEGCSA-N	0	3	337.419	4.120	1	10	biogenic,in-vitro	EICFHN
Cc1ccc([C@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1	ZINC000072178817	203182865	/nfs/dbraw/zinc/18/28/65/203182865.db2.gz	CMJKNGCMPJPFQV-HSZRJFAPSA-N	0	3	347.458	4.400	1	10		EICFHN
O=C1N=c2ccccc2=C1NNc1nc2nc3ccccc3c-2[n-][nH+]1	ZINC000101384744	219125337	/nfs/dbraw/zinc/12/53/37/219125337.db2.gz	XXDDLBFUFCZPQS-ZNTNEXAZSA-N	0	3	329.323	4.060	1	10		EICFHN
O=C1N=c2ccccc2=C1N[N-]c1nc2nc3ccccc3c-2[nH][nH+]1	ZINC000101384744	219125338	/nfs/dbraw/zinc/12/53/38/219125338.db2.gz	XXDDLBFUFCZPQS-ZNTNEXAZSA-N	0	3	329.323	4.060	1	10		EICFHN
Oc1cc2c(cc1O)[C@H](Cc1ccc(-c3ccccc3)cc1)NCC2	ZINC000035050013	213004928	/nfs/dbraw/zinc/00/49/28/213004928.db2.gz	XIJDCLCRFSKXPG-FQEVSTJZSA-N	0	3	331.415	4.194	1	10	in-vivo	EICFHN
CC[NH2+]Cc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1[O-]	ZINC000040860756	213395305	/nfs/dbraw/zinc/39/53/05/213395305.db2.gz	UJOUCKBOLUFWOX-UHFFFAOYSA-N	0	3	326.827	4.294	1	10		EICFHN
Cc1ccc([C@@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1	ZINC000072178816	216066022	/nfs/dbraw/zinc/06/60/22/216066022.db2.gz	CMJKNGCMPJPFQV-QHCPKHFHSA-N	0	3	347.458	4.400	1	10		EICFHN
[O-]c1cc(O)cc2c1[C@@H](Cc1ccc(-c3ccccc3)cc1)[NH2+]CC2	ZINC000103173751	219265730	/nfs/dbraw/zinc/26/57/30/219265730.db2.gz	MAZGSMNKVNHWMZ-HXUWFJFHSA-N	0	3	331.415	4.194	1	10		EICFHN
NC(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000005422215	210461281	/nfs/dbraw/zinc/46/12/81/210461281.db2.gz	BUGQOWLKDVVUTA-UHFFFAOYSA-N	0	3	327.387	4.159	1	10		EICFHN
[O-]c1cc(O)cc2c1[C@H](Cc1ccc(-c3ccccc3)cc1)[NH2+]CC2	ZINC000103173752	219265715	/nfs/dbraw/zinc/26/57/15/219265715.db2.gz	MAZGSMNKVNHWMZ-FQEVSTJZSA-N	0	3	331.415	4.194	1	10		EICFHN
Oc1cc2c(cc1O)[C@@H](Cc1ccc(-c3ccccc3)cc1)NCC2	ZINC000035050012	213005746	/nfs/dbraw/zinc/00/57/46/213005746.db2.gz	XIJDCLCRFSKXPG-HXUWFJFHSA-N	0	3	331.415	4.194	1	10	in-vivo	EICFHN