smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000013436199	220067196	/nfs/dbraw/zinc/06/71/96/220067196.db2.gz	FWGBPNKASCASNV-CVEARBPZSA-N	1	0	374.489	-0.283	1	30		FBEFRO
Cc1cc(C)[n+](CC(=O)N=c2sc(S(N)(=O)=O)nn2C)c(C)c1	ZINC000013804380	581091392	/nfs/dbraw/zinc/09/13/92/581091392.db2.gz	REHKSSWTMGTLOE-NTCAYCPXSA-N	1	0	356.453	-0.531	1	30		FBEFRO
COC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027883507	207942561	/nfs/dbraw/zinc/94/25/61/207942561.db2.gz	HDEGYSNCNJKSEW-LLVKDONJSA-N	1	0	373.391	-0.532	1	30		FBEFRO
COC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(OC)cc1	ZINC000027901617	211475374	/nfs/dbraw/zinc/47/53/74/211475374.db2.gz	HDPZLIWGFFLEID-LBPRGKRZSA-N	1	0	358.420	-0.431	1	30		FBEFRO
COC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000027904053	211474977	/nfs/dbraw/zinc/47/49/77/211474977.db2.gz	XHQRZNFWDFIVFF-LLVKDONJSA-N	1	0	373.391	-0.532	1	30		FBEFRO
C[NH2+]CC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O	ZINC000040845148	205083202	/nfs/dbraw/zinc/08/32/02/205083202.db2.gz	LXIRROSSXMWVCX-KBAYOESNSA-N	1	0	360.366	-0.466	1	30		FBEFRO
[NH3+]CCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000040954183	208276743	/nfs/dbraw/zinc/27/67/43/208276743.db2.gz	UMTXGLCHVFMEFD-KRWDZBQOSA-N	1	0	357.391	-0.278	1	30		FBEFRO
[NH3+]CCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000040954185	208275992	/nfs/dbraw/zinc/27/59/92/208275992.db2.gz	UMTXGLCHVFMEFD-QGZVFWFLSA-N	1	0	357.391	-0.278	1	30		FBEFRO
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000048983276	221015510	/nfs/dbraw/zinc/01/55/10/221015510.db2.gz	MYOZLCFHUIZHSH-UWVGGRQHSA-N	1	0	350.510	-0.747	1	30		FBEFRO
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)CS	ZINC000049017423	221016966	/nfs/dbraw/zinc/01/69/66/221016966.db2.gz	FLVCFLJEVZGEKC-KBPBESRZSA-N	1	0	366.487	-0.257	1	30		FBEFRO
O=C1c2[nH]cc3c2C2=[N+](CC3)[C@@H]3[C@H](O)C=C4S[C@H]5C[C@@]4(C2=C1N5)[C@H]3O	ZINC000049052419	208413270	/nfs/dbraw/zinc/41/32/70/208413270.db2.gz	ZNHXEXDFGYAQJK-UQWRBYCRSA-O	1	0	354.411	-0.123	1	30		FBEFRO
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)cc(=O)n(Cc2ncccn2)c1=O	ZINC000096284196	132305182	/nfs/dbraw/zinc/30/51/82/132305182.db2.gz	FGZNWCNJOLTLHF-CQSZACIVSA-N	1	0	354.414	-0.201	1	30		FBEFRO
CCC/[NH+]=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12	ZINC000061942221	221138386	/nfs/dbraw/zinc/13/83/86/221138386.db2.gz	VNDJMPJTOGJCID-KOBXJQNSSA-N	1	0	350.419	-0.065	3	30		FBEFRO
CCC/[NH+]=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12	ZINC000061942226	205289414	/nfs/dbraw/zinc/28/94/14/205289414.db2.gz	BRTXWDNYDQFXSL-KOBXJQNSSA-N	1	0	350.419	-0.065	3	30		FBEFRO