smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+][C@H]1CN(CCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000003870424	210150371	/nfs/dbraw/zinc/15/03/71/210150371.db2.gz	XACIEZJJSXJZMD-VIFPVBQESA-N	1	2	369.490	-0.303	1	0	in-vivo	FBAFLO
CO[C@]1(C)C[NH2+]CC(C)(C)NC(=O)[C@@](C)(OC)CNCC(C)(C)NC1=O	ZINC000005741520	207114718	/nfs/dbraw/zinc/11/47/18/207114718.db2.gz	XZHCFUDUNBPION-HDICACEKSA-N	1	2	372.510	-0.221	1	0		FBAFLO
CO[C@]1(C)CNCC(C)(C)NC(=O)[C@@](C)(OC)C[NH2+]CC(C)(C)NC1=O	ZINC000005741520	207114714	/nfs/dbraw/zinc/11/47/14/207114714.db2.gz	XZHCFUDUNBPION-HDICACEKSA-N	1	2	372.510	-0.221	1	0		FBAFLO
CO[C@@]1(C)CNCC(C)(C)NC(=O)[C@@](C)(OC)C[NH2+]CC(C)(C)NC1=O	ZINC000005741525	207114638	/nfs/dbraw/zinc/11/46/38/207114638.db2.gz	XZHCFUDUNBPION-ROUUACIJSA-N	1	2	372.510	-0.221	1	0		FBAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)C1	ZINC000013836056	560220794	/nfs/dbraw/zinc/22/07/94/560220794.db2.gz	IWYGASZUHRTKFM-SWHYSGLUSA-N	1	2	361.402	-0.718	1	0	in-vitro	FBAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)C1	ZINC000013836056	560220792	/nfs/dbraw/zinc/22/07/92/560220792.db2.gz	IWYGASZUHRTKFM-SWHYSGLUSA-N	1	2	361.402	-0.718	1	0	in-vitro	FBAFLO
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000040753374	208268285	/nfs/dbraw/zinc/26/82/85/208268285.db2.gz	WCHONUZTYDQMBY-SAXRGWBVSA-N	1	2	365.434	-0.114	1	0		FBAFLO
[O-][n+]1nc(CCC[NH+]2CCOCC2)[n+]([O-])c2cc3c(cc21)C[C@H](CO)C3	ZINC000040937339	205085607	/nfs/dbraw/zinc/08/56/07/205085607.db2.gz	DPILVWARUCGALT-CYBMUJFWSA-N	1	2	360.414	-0.527	1	0		FBAFLO
CN(C)c1[nH+]cnc2c1c(Br)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049015183	205167289	/nfs/dbraw/zinc/16/72/89/205167289.db2.gz	GXTRHWZNFVHJEP-HMMKDHSLSA-N	1	2	373.207	-0.129	1	0		FBAFLO
OC[C@@H]1O[C@H](n2cnc3c2[NH+]=CN2C[C@@H](c4ccccc4)N=C32)[C@@H](O)[C@H]1O	ZINC000049018277	205168063	/nfs/dbraw/zinc/16/80/63/205168063.db2.gz	YFXFAXXXFDPKSO-ACQZPUNLSA-N	1	2	369.381	-0.029	1	0		FBAFLO
CCn1c[n+](CC(=O)c2ccc(O)c(C(N)=O)c2)c2nc(N)[nH]c(=O)c21	ZINC000103290003	222332189	/nfs/dbraw/zinc/33/21/89/222332189.db2.gz	KRZJFMDRRSCLKH-UHFFFAOYSA-O	1	2	357.350	-0.286	1	0		FBAFLO
C[NH+](C)[C@@H](CO)c1nnc([C@H](CCC(=O)[O-])NC(=O)C2CC[NH2+]CC2)o1	ZINC000013478137	204532764	/nfs/dbraw/zinc/53/27/64/204532764.db2.gz	SVJZSYJZFSAWRB-RYUDHWBXSA-N	1	2	369.422	-0.314	3	0		FBAFLO
COC(=O)[C@@H]1C[C@]2(O)[C@@H](C[C@@H](O)[C@@H](O)[C@H]2O)[N@H+]1Cc1ccc(C)s1	ZINC000059722025	205282223	/nfs/dbraw/zinc/28/22/23/205282223.db2.gz	OWQYMGKGIPXNIU-SFEJEDPTSA-N	1	2	357.428	-0.610	3	0		FBAFLO
COC(=O)[C@@H]1C[C@]2(O)[C@@H](C[C@@H](O)[C@@H](O)[C@H]2O)[N@@H+]1Cc1ccc(C)s1	ZINC000059722025	205282219	/nfs/dbraw/zinc/28/22/19/205282219.db2.gz	OWQYMGKGIPXNIU-SFEJEDPTSA-N	1	2	357.428	-0.610	3	0		FBAFLO
CC[C@@]1(C(=O)OC)[NH2+][C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000061947117	221138333	/nfs/dbraw/zinc/13/83/33/221138333.db2.gz	UPEBFYUBMGGQBN-UZTWBRENSA-N	1	2	368.434	-0.439	3	0		FBAFLO
CCNC(=O)N(CC)C[C@H]1[NH2+][C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12	ZINC000061947132	212028163	/nfs/dbraw/zinc/02/81/63/212028163.db2.gz	ZZIPCUWTFVHIQK-ZAQLIGFBSA-N	1	2	354.407	-0.828	3	0		FBAFLO
COC(=O)[C@]1(C)[NH2+][C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000061947137	205288868	/nfs/dbraw/zinc/28/88/68/205288868.db2.gz	HLNMAIIXJJYQBE-ZYKCCNLVSA-N	1	2	373.409	-0.107	3	0		FBAFLO
COC(=O)[C@]1(C)[NH2+][C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000061947173	212028482	/nfs/dbraw/zinc/02/84/82/212028482.db2.gz	BNUGTRSBWTYMQQ-ZAQLIGFBSA-N	1	2	354.407	-0.829	3	0		FBAFLO