smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1	ZINC000003830403	194362011	/nfs/dbraw/zinc/36/20/11/194362011.db2.gz	UOCJDOLVGGIYIQ-OGHNNQOOSA-N	0	1	462.513	0.041	10	0	in-vitro	JCAEMN
[NH3+][C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cn[nH]n3)CS[C@H]12)c1ccc(O)cc1	ZINC000003830403	194362009	/nfs/dbraw/zinc/36/20/09/194362009.db2.gz	UOCJDOLVGGIYIQ-OGHNNQOOSA-N	0	1	462.513	0.041	10	0	in-vitro	JCAEMN
CN(C)C(=O)C(=O)N(C)[C@H]1CCCCn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc21	ZINC000003842373	194363733	/nfs/dbraw/zinc/36/37/33/194363733.db2.gz	WBQCKUNNRLRPOG-HNNXBMFYSA-N	0	1	459.478	0.790	10	0		JCAEMN
CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc21	ZINC000014191391	563005575	/nfs/dbraw/zinc/00/55/75/563005575.db2.gz	WBQCKUNNRLRPOG-OAHLLOKOSA-N	0	1	459.478	0.790	10	0		JCAEMN
Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)N3C)nc2ccccc21	ZINC000022921144	555975018	/nfs/dbraw/zinc/97/50/18/555975018.db2.gz	YUGIDVJZANTPKM-WGGBDISSSA-N	0	1	454.575	0.585	10	0	biogenic	JCAEMN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	ZINC000026500620	563029135	/nfs/dbraw/zinc/02/91/35/563029135.db2.gz	KUOUOZMXADTZNG-VABKMULXSA-N	0	1	490.564	0.397	10	0		JCAEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000039829666	563136924	/nfs/dbraw/zinc/13/69/24/563136924.db2.gz	MNBHKGYCLBUIBC-UFYCRDLUSA-N	0	1	468.558	0.117	10	0		JCAEMN
Cc1cc2c(s1)N([C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1N=C2N1CC[NH+](C)CC1	ZINC000044021808	525627869	/nfs/dbraw/zinc/62/78/69/525627869.db2.gz	GAMKTHIOQWRUNL-ZFORQUDYSA-N	0	1	488.566	0.726	10	0		JCAEMN
COc1ccccc1N1CCN(C(=O)Cn2ncc3c2ncnc3N2CCN(C)CC2)CC1	ZINC000065295166	569670263	/nfs/dbraw/zinc/67/02/63/569670263.db2.gz	REGLQZNJIGVDSW-UHFFFAOYSA-N	0	1	450.547	0.936	10	0		JCAEMN
COC(=O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238740133	560040589	/nfs/dbraw/zinc/04/05/89/560040589.db2.gz	XXKIWCKZQFBXIR-JPVHLGFFSA-N	0	1	460.391	0.231	10	0	biogenic	JCAEMN
COC(=O)[C@@H]1O[C@H](Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238740133	560040587	/nfs/dbraw/zinc/04/05/87/560040587.db2.gz	XXKIWCKZQFBXIR-JPVHLGFFSA-N	0	1	460.391	0.231	10	0	biogenic	JCAEMN