smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409220311	392622073	/nfs/dbraw/zinc/62/20/73/392622073.db2.gz	WPMTWBOLDPCORJ-UHFFFAOYSA-N	-1	0	323.692	-0.047	40	10		DBCBRM
Nc1ccc(CN(CC(=O)[O-])[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575423180	378631372	/nfs/dbraw/zinc/63/13/72/378631372.db2.gz	YUEXUINXYAVYOR-RYUDHWBXSA-N	-1	0	314.363	-0.687	40	10		DBCBRM
Nc1ccc(CN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575423181	378631394	/nfs/dbraw/zinc/63/13/94/378631394.db2.gz	YUEXUINXYAVYOR-VXGBXAGGSA-N	-1	0	314.363	-0.687	40	10		DBCBRM
O=C1[N-]C(=O)C(=CNC(=S)NCc2ccccc2)C(=O)N1	ZINC000006574870	181355948	/nfs/dbraw/zinc/35/59/48/181355948.db2.gz	DZSACWQKXPIBCX-UHFFFAOYSA-N	-1	0	304.331	-0.099	40	10		DBCBRM
Nc1ccc(CN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575423176	378631641	/nfs/dbraw/zinc/63/16/41/378631641.db2.gz	YUEXUINXYAVYOR-NEPJUHHUSA-N	-1	0	314.363	-0.687	40	10		DBCBRM
Cn1c2ccc(NC=C3C(=O)[N-]C(=O)NC3=O)cc2n(C)c1=O	ZINC000408532011	236842266	/nfs/dbraw/zinc/84/22/66/236842266.db2.gz	LSTHMERMKWTFGE-UHFFFAOYSA-N	-1	0	315.289	-0.461	40	10		DBCBRM
NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409224416	392621554	/nfs/dbraw/zinc/62/15/54/392621554.db2.gz	LHIHEKSCUIUXKV-UHFFFAOYSA-N	-1	0	323.692	-0.047	40	10		DBCBRM
C[C@@](O)(C(=O)[O-])[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168245	182607934	/nfs/dbraw/zinc/60/79/34/182607934.db2.gz	RUEPXZDDWQCITK-ACIZLPDLSA-N	-1	0	312.274	-0.149	40	10	biogenic,in-vitro	DBCBRM
Nc1ccc(CN(CC(=O)[O-])[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575423179	378631974	/nfs/dbraw/zinc/63/19/74/378631974.db2.gz	YUEXUINXYAVYOR-NWDGAFQWSA-N	-1	0	314.363	-0.687	40	10		DBCBRM
CN(C)S(=O)(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000019203385	182107455	/nfs/dbraw/zinc/10/74/55/182107455.db2.gz	PKSBMYZHKUGLPZ-MRVPVSSYSA-N	-1	0	304.324	-0.511	40	10		DBCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)cc1	ZINC000408536061	374248424	/nfs/dbraw/zinc/24/84/24/374248424.db2.gz	VNVZCQBYSUKTLI-FLIBITNWSA-N	-1	0	305.290	-0.256	40	10		DBCBRM
Cn1c2nc(N=NNc3nncs3)[n-]c2c(=O)n(C)c1=O	ZINC000005542987	374273275	/nfs/dbraw/zinc/27/32/75/374273275.db2.gz	RLEDPDGHGINYPS-UHFFFAOYSA-N	-1	0	307.299	-0.077	40	10		DBCBRM
CN(C)S(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000019203382	182106994	/nfs/dbraw/zinc/10/69/94/182106994.db2.gz	PKSBMYZHKUGLPZ-QMMMGPOBSA-N	-1	0	304.324	-0.511	40	10		DBCBRM
C[C@@](O)(C(=O)[O-])[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168253	382642905	/nfs/dbraw/zinc/64/29/05/382642905.db2.gz	RUEPXZDDWQCITK-HTDMEAKDSA-N	-1	0	312.274	-0.149	40	10	biogenic,in-vitro	DBCBRM
C[C@](O)(C(=O)[O-])[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168249	382642997	/nfs/dbraw/zinc/64/29/97/382642997.db2.gz	RUEPXZDDWQCITK-UOLJMSNASA-N	-1	0	312.274	-0.149	40	10	biogenic,in-vitro	DBCBRM
C[C@](O)(C(=O)[O-])[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168242	382642898	/nfs/dbraw/zinc/64/28/98/382642898.db2.gz	RUEPXZDDWQCITK-IVDNPREJSA-N	-1	0	312.274	-0.149	40	10	biogenic,in-vitro	DBCBRM