smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]3CCC[NH2+]3)ccc12	ZINC000015721960	526148700	/nfs/dbraw/zinc/14/87/00/526148700.db2.gz	YZJVBUAIFJVLAS-HOTGVXAUSA-N	2	0	428.493	0.540	40	0		ICABRP
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C2CC[NH+](C)CC2)[N@@H+]1C	ZINC000022923579	556341957	/nfs/dbraw/zinc/34/19/57/556341957.db2.gz	DRYZDRSGLAAUKU-HIUFNZKISA-N	2	0	435.613	0.371	40	0	biogenic,in-vitro	ICABRP
O=c1c2cc3c(cc2c(=O)n1CC[NH+]1CCCCC1)c(=O)n(CC[NH+]1CCCCC1)c3=O	ZINC000059484439	557825328	/nfs/dbraw/zinc/82/53/28/557825328.db2.gz	WIUDMRBXJBHDJV-UHFFFAOYSA-N	2	0	438.528	0.884	40	0		ICABRP
C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC[N@H+](C)CC4)cn32)CC1	ZINC000096267387	557193220	/nfs/dbraw/zinc/19/32/20/557193220.db2.gz	VMOAAUGLERTRNZ-UHFFFAOYSA-N	2	0	426.565	0.927	40	0		ICABRP
CN1CCn2c(C(=O)NCC[NH+]3CCCC3)nnc2C12CC[NH+](Cc1cccnc1)CC2	ZINC000306138593	568770672	/nfs/dbraw/zinc/77/06/72/568770672.db2.gz	SBGFPHURZVDOMF-UHFFFAOYSA-N	2	0	438.580	0.935	40	0		ICABRP
COc1cc(C[N@@H+]2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585270626	568617277	/nfs/dbraw/zinc/61/72/77/568617277.db2.gz	AJWWOHGDDHOONA-HSZRJFAPSA-N	2	0	434.581	0.737	40	0		ICABRP
COc1cc(C[N@@H+]2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585270627	568617069	/nfs/dbraw/zinc/61/70/69/568617069.db2.gz	AJWWOHGDDHOONA-QHCPKHFHSA-N	2	0	434.581	0.737	40	0		ICABRP
C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)cc1	ZINC000585271758	557216368	/nfs/dbraw/zinc/21/63/68/557216368.db2.gz	HFSPMYLOGGUIPK-TZIWHRDSSA-N	2	0	434.562	0.811	40	0		ICABRP
CC(C)[NH+]1CCC(CC[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291085	557228396	/nfs/dbraw/zinc/22/83/96/557228396.db2.gz	JYLCLLZQYHYGBE-RTWAWAEBSA-N	2	0	425.595	0.883	40	0		ICABRP
C[NH+](C)CCOc1cccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1	ZINC000585291829	557229382	/nfs/dbraw/zinc/22/93/82/557229382.db2.gz	TZELYMVYKHDDCO-YADHBBJMSA-N	2	0	449.573	0.513	40	0		ICABRP