smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCNC(=O)[C@@H]([NH3+])CCC[C@H]([NH3+])C(=O)NCCCCCC	ZINC000045187273	205117081	/nfs/dbraw/zinc/11/70/81/205117081.db2.gz	JSMOJFLNBGJRIR-IRXDYDNUSA-N	2	0	356.555	2.204	1	0		FEAFRP
CCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](OC)([C@@H]3O5)[C@@H]([NH3+])C1	ZINC000058577345	205277752	/nfs/dbraw/zinc/27/77/52/205277752.db2.gz	YJJFLCYVPICLME-LRVUYGIZSA-N	2	0	368.477	2.104	1	0		FEAFRP
NC(=[NH2+])c1ccc(N2CCCCN(c3cccc(C(N)=[NH2+])c3)C2=O)cc1	ZINC000026651371	204854704	/nfs/dbraw/zinc/85/47/04/204854704.db2.gz	XPIYAMCDVRTICO-UHFFFAOYSA-N	2	0	350.426	2.482	1	0		FEAFRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc2ccc(C3=[NH+]CCN3)cc2o1	ZINC000006535485	204252279	/nfs/dbraw/zinc/25/22/79/204252279.db2.gz	CJFUDTPVJOJIIZ-UHFFFAOYSA-N	2	0	373.416	2.385	1	0		FEAFRP
COC(=O)c1ccc2c(c1)c(=[NH+]CCC[NH3+])c1c(n2C)N[C@H]2C=CC=C[C@@H]12	ZINC000103164676	132236624	/nfs/dbraw/zinc/23/66/24/132236624.db2.gz	AHFQPZUEVZSQGJ-ZBFHGGJFSA-N	2	0	364.449	2.095	1	0		FEAFRP
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)nc2cc1F	ZINC000012354921	581096652	/nfs/dbraw/zinc/09/66/52/581096652.db2.gz	OQUWSJYELDQMCU-SNVBAGLBSA-N	2	0	369.400	2.489	1	0		FEAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@H]12	ZINC000028525005	581100792	/nfs/dbraw/zinc/10/07/92/581100792.db2.gz	RCVWWPSJYZKVFU-OALUTQOASA-N	2	0	353.466	2.489	1	0		FEAFRP
c1cn(-c2ccc(N3CCC(OC4=CC=C[C@@H]5[NH2+]C=C[C@@H]45)CC3)nn2)cn1	ZINC000101310874	209224404	/nfs/dbraw/zinc/22/44/04/209224404.db2.gz	UJIMAOCGCGNVGP-SJORKVTESA-N	2	0	362.437	2.203	1	0		FEAFRP
CC(=O)Nc1ccc(C[NH2+]CCCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)cc1	ZINC000040466172	208255380	/nfs/dbraw/zinc/25/53/80/208255380.db2.gz	OEKQWURFETVUMB-UHFFFAOYSA-N	2	0	372.513	2.328	1	0		FEAFRP
[NH3+]CCC[NH2+]CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1	ZINC000045350700	208332133	/nfs/dbraw/zinc/33/21/33/208332133.db2.gz	MEPBJPMZEPXRJT-UHFFFAOYSA-N	2	0	354.406	2.483	1	0		FEAFRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1	ZINC000006535484	207145367	/nfs/dbraw/zinc/14/53/67/207145367.db2.gz	DURFKUDGWFAYFH-UHFFFAOYSA-N	2	0	372.432	2.120	1	0		FEAFRP
C[NH+](C)CCCN1C(=O)c2cccc3c(NCC[NH+](C)C)ccc(c32)C1=O	ZINC000040980654	208278377	/nfs/dbraw/zinc/27/83/77/208278377.db2.gz	YLXNOXYCBDMBHF-UHFFFAOYSA-N	2	0	368.481	2.361	1	0		FEAFRP
NC1=[NH+][C@@H](C[C@@H]2C[NH2+]C[C@@H]2OCC[NH2+]CCc2cccc(F)c2)CCC1	ZINC000064527897	212038932	/nfs/dbraw/zinc/03/89/32/212038932.db2.gz	HZHJCKDWMOAWJH-QRQLOZEOSA-N	3	0	362.493	2.072	1	0		FEAFRP
CNC(=O)C[C@@H](CCc1ccc(C(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013776614	211057963	/nfs/dbraw/zinc/05/79/63/211057963.db2.gz	HJNUQOATQYFGFP-MRXNPFEDSA-N	2	0	351.454	2.107	1	0		FEAFRP
Cc1c(OC[C@@H]2CCC[N@@H+](C)C2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12	ZINC000049942656	136123921	/nfs/dbraw/zinc/12/39/21/136123921.db2.gz	DHVKGIVQRQBELN-MRXNPFEDSA-N	2	0	371.481	2.232	1	0		FEAFRP
Cc1ccc(O[C@@H]2C[NH2+][C@@H](C(=O)N3CCC[N@@H+](C4CCC4)CC3)C2)cc1	ZINC000049089526	221019140	/nfs/dbraw/zinc/01/91/40/221019140.db2.gz	ZZKBBEYDJQTXJT-VQTJNVASSA-N	2	0	357.498	2.191	1	0		FEAFRP
COC(=O)c1ccc2c(c1)c(=[NH+]CCC[NH3+])c1c(n2C)N[C@@H]2C=CC=C[C@H]12	ZINC000103164674	132236601	/nfs/dbraw/zinc/23/66/01/132236601.db2.gz	AHFQPZUEVZSQGJ-GOEBONIOSA-N	2	0	364.449	2.095	1	0		FEAFRP
COC(=O)c1ccc2c(c1)c(=[NH+]CCC[NH3+])c1c(n2C)N[C@@H]2C=CC=C[C@@H]12	ZINC000103164678	132236883	/nfs/dbraw/zinc/23/68/83/132236883.db2.gz	AHFQPZUEVZSQGJ-GDBMZVCRSA-N	2	0	364.449	2.095	1	0		FEAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@H]12	ZINC000028525004	581100781	/nfs/dbraw/zinc/10/07/81/581100781.db2.gz	RCVWWPSJYZKVFU-RBUKOAKNSA-N	2	0	353.466	2.489	1	0		FEAFRP
[NH3+]Cc1ccc(NC(=O)c2cc(NC(=O)c3ccc(C[NH3+])cc3)c[nH]2)cc1	ZINC000027628324	204865607	/nfs/dbraw/zinc/86/56/07/204865607.db2.gz	MAALSYZYCFNPLE-UHFFFAOYSA-N	2	0	363.421	2.437	1	0		FEAFRP
Cc1c(OC[C@H]2CCC[N@@H+](C)C2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12	ZINC000049942657	136123931	/nfs/dbraw/zinc/12/39/31/136123931.db2.gz	DHVKGIVQRQBELN-INIZCTEOSA-N	2	0	371.481	2.232	1	0		FEAFRP
CC(C)CNc1nc(NCCC[NH3+])ncc1C(=O)NCCc1ccccc1	ZINC000045358320	208331389	/nfs/dbraw/zinc/33/13/89/208331389.db2.gz	YSOIZKMZIZPHNF-UHFFFAOYSA-N	2	0	370.501	2.278	1	0		FEAFRP
CC(C)[NH+]1CCN(C(=O)C2CC3(C2)CC[NH+](C2CCOCC2)CC3)CC1	ZINC000103243047	209249062	/nfs/dbraw/zinc/24/90/62/209249062.db2.gz	LKVKSLVRHQVHAX-UHFFFAOYSA-N	2	0	363.546	2.210	1	0		FEAFRP
C[NH+](C)CCCNc1ccc2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O	ZINC000040950166	208277357	/nfs/dbraw/zinc/27/73/57/208277357.db2.gz	CDPDHPAHHZPPHB-UHFFFAOYSA-N	2	0	368.481	2.361	1	0		FEAFRP
CCCCCCNC(=O)[C@H]([NH3+])CCC[C@@H]([NH3+])C(=O)NCCCCCC	ZINC000045187276	208328440	/nfs/dbraw/zinc/32/84/40/208328440.db2.gz	JSMOJFLNBGJRIR-IAGOWNOFSA-N	2	0	356.555	2.204	1	0		FEAFRP
COC(=O)c1ccc2c(c1)c(=[NH+]CCC[NH3+])c1c(n2C)N[C@H]2C=CC=C[C@H]12	ZINC000103164672	132236555	/nfs/dbraw/zinc/23/65/55/132236555.db2.gz	AHFQPZUEVZSQGJ-HOCLYGCPSA-N	2	0	364.449	2.095	1	0		FEAFRP
C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(CCC[NH3+])c3ccccc31)C2	ZINC000103097232	209245259	/nfs/dbraw/zinc/24/52/59/209245259.db2.gz	GSAVAAKDTVSQKT-MUJYYYPQSA-N	2	0	355.486	2.130	1	0		FEAFRP
NC(=[NH2+])c1cc2[nH]c(-c3cccc(O[C@H]4CC[NH2+]C4)c3O)nc2cc1F	ZINC000013444378	211034947	/nfs/dbraw/zinc/03/49/47/211034947.db2.gz	JTWPXAPBCSEZRE-VIFPVBQESA-N	2	0	355.373	2.099	1	0		FEAFRP
Cc1cc(C)c(S(=O)(=O)N(CCCCC[NH3+])OCCC[NH3+])c(C)c1	ZINC000001653374	210364584	/nfs/dbraw/zinc/36/45/84/210364584.db2.gz	HHFLYEZCKPVTDT-UHFFFAOYSA-N	2	0	357.520	2.012	1	0		FEAFRP
COc1ccc2cc3[n+](cc2c1OCC[NH3+])CCc1cc2c(cc1-3)OCO2	ZINC000038239118	211700773	/nfs/dbraw/zinc/70/07/73/211700773.db2.gz	KPUQSLPNSSYVBH-UHFFFAOYSA-N	2	0	365.409	2.425	1	0		FEAFRP
CCCCCCNC(=O)[C@H]([NH3+])CCC[C@H]([NH3+])C(=O)NCCCCCC	ZINC000045187270	211812264	/nfs/dbraw/zinc/81/22/64/211812264.db2.gz	JSMOJFLNBGJRIR-CALCHBBNSA-N	2	0	356.555	2.204	1	0		FEAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@@H]12	ZINC000169352147	581100843	/nfs/dbraw/zinc/10/08/43/581100843.db2.gz	RCVWWPSJYZKVFU-RTBURBONSA-N	2	0	353.466	2.489	1	0		FEAFRP
Cc1cc(C)c(S(=O)(=O)N(CCCCCC[NH3+])OCCC[NH3+])c(C)c1	ZINC000001653991	210364570	/nfs/dbraw/zinc/36/45/70/210364570.db2.gz	CQCBRLPBRXUXRI-UHFFFAOYSA-N	2	0	371.547	2.402	1	0		FEAFRP
NC(=[NH2+])c1cc2[nH]c(-c3cccc(O[C@@H]4CC[NH2+]C4)c3O)nc2cc1F	ZINC000013444375	220066645	/nfs/dbraw/zinc/06/66/45/220066645.db2.gz	JTWPXAPBCSEZRE-SECBINFHSA-N	2	0	355.373	2.099	1	0		FEAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@@H]12	ZINC000169352149	581100958	/nfs/dbraw/zinc/10/09/58/581100958.db2.gz	RCVWWPSJYZKVFU-MOPGFXCFSA-N	2	0	353.466	2.489	1	0		FEAFRP
Cc1n[nH]c(C)c1CC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	ZINC000020600940	220335331	/nfs/dbraw/zinc/33/53/31/220335331.db2.gz	OPXJVGJTXDHZBO-UXHICEINSA-N	2	0	354.498	2.238	1	0		FEAFRP