smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)OC(=O)C([C@@H]2C(=O)C(Br)=C[C@@H]2[NH+]2CCCCCC2)C(=O)O1	ZINC000198711556	569363618	/nfs/dbraw/zinc/36/36/18/569363618.db2.gz	HPVWCHWBEXMHHA-NWDGAFQWSA-N	1	2	400.269	2.788	10	30		HFEELO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1	ZINC000036160033	518800410	/nfs/dbraw/zinc/80/04/10/518800410.db2.gz	AXQPWMDXHRABGC-OAHLLOKOSA-N	1	2	411.527	2.901	10	30		HFEELO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1	ZINC000036160033	518800424	/nfs/dbraw/zinc/80/04/24/518800424.db2.gz	AXQPWMDXHRABGC-OAHLLOKOSA-N	1	2	411.527	2.901	10	30		HFEELO
NC(=[NH+]OC(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000020508486	558381735	/nfs/dbraw/zinc/38/17/35/558381735.db2.gz	MRVVWMWBLLPKDQ-UHFFFAOYSA-N	1	2	406.286	2.969	10	30		HFEELO
CC1(C)OC(=O)C([C@@H]2C(=O)C(Br)=C[C@H]2[NH+]2CCCCCC2)C(=O)O1	ZINC000198711523	569363609	/nfs/dbraw/zinc/36/36/09/569363609.db2.gz	HPVWCHWBEXMHHA-VXGBXAGGSA-N	1	2	400.269	2.788	10	30		HFEELO
COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)c1ccc(C#N)cc1	ZINC000012530248	291221132	/nfs/dbraw/zinc/22/11/32/291221132.db2.gz	XXCDCFUHWRKFHZ-FQEVSTJZSA-N	1	2	400.438	2.543	10	30	biogenic	HFEELO
C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1	ZINC000036160029	518801217	/nfs/dbraw/zinc/80/12/17/518801217.db2.gz	AXQPWMDXHRABGC-HNNXBMFYSA-N	1	2	411.527	2.901	10	30		HFEELO
C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1	ZINC000036160029	518801224	/nfs/dbraw/zinc/80/12/24/518801224.db2.gz	AXQPWMDXHRABGC-HNNXBMFYSA-N	1	2	411.527	2.901	10	30		HFEELO
CC1(C)OC(=O)C([C@H]2C(=O)C(Br)=C[C@H]2[NH+]2CCCCCC2)C(=O)O1	ZINC000198711506	569363598	/nfs/dbraw/zinc/36/35/98/569363598.db2.gz	HPVWCHWBEXMHHA-NEPJUHHUSA-N	1	2	400.269	2.788	10	30		HFEELO
CC1(C)OC(=O)C([C@H]2C(=O)C(Br)=C[C@@H]2[NH+]2CCCCCC2)C(=O)O1	ZINC000198711537	569363627	/nfs/dbraw/zinc/36/36/27/569363627.db2.gz	HPVWCHWBEXMHHA-RYUDHWBXSA-N	1	2	400.269	2.788	10	30		HFEELO
Nc1ncnc(N=NC=C2CCC(=Cc3ccccc3)C2[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000034690458	527574150	/nfs/dbraw/zinc/57/41/50/527574150.db2.gz	FQUYVZPCIOWRQX-RCKSAOSOSA-N	1	2	421.461	2.828	10	30		HFEELO
C(=CNNc1nc2nc3ccccc3c-2[nH][nH+]1)N=Nc1nnc2c3ccccc3[nH]c2n1	ZINC000020533911	558385203	/nfs/dbraw/zinc/38/52/03/558385203.db2.gz	DCNOMOADPNPFCU-VGENTYGXSA-N	1	2	422.416	2.821	10	30		HFEELO