smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C)c1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1	ZINC000217561069	520290311	/nfs/dbraw/zinc/29/03/11/520290311.db2.gz	ZVJNGFKUDPNWEZ-MRXNPFEDSA-N	3	2	357.506	2.075	50	70		FEIALP
Nc1nc(NCc2cnn(-c3ccc(F)cc3)c2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218340532	527556000	/nfs/dbraw/zinc/55/60/00/527556000.db2.gz	WRPFTZXXKMOQEW-UHFFFAOYSA-N	2	2	353.405	2.200	50	70		FEIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1OCC[NH+]1CCOCC1)C2	ZINC000217509101	522107259	/nfs/dbraw/zinc/10/72/59/522107259.db2.gz	JHOKITPHPUYLKU-XVAYZXCPSA-N	2	2	373.541	2.170	50	70		FEIALP
CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000218638825	548689147	/nfs/dbraw/zinc/68/91/47/548689147.db2.gz	WHCXIHQHLFJBOO-UHFFFAOYSA-N	2	2	367.432	2.429	50	70		FEIALP
Cc1cc(C)cc(N2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)c1	ZINC000218651515	132273308	/nfs/dbraw/zinc/27/33/08/132273308.db2.gz	KCDZMIFJPDDSCE-UHFFFAOYSA-N	2	2	352.486	2.207	50	70		FEIALP
Cc1cc(C(F)(F)F)nc(CCNc2cc([C@H]3C[C@H]([NH3+])C3)[nH+]c(N)n2)n1	ZINC000218167228	524205524	/nfs/dbraw/zinc/20/55/24/524205524.db2.gz	ULSQCZXGCGELNB-AOOOYVTPSA-N	2	2	367.379	2.035	50	70		FEIALP
O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)oc(C[NH+]2CCCC2)c1O	ZINC000218153321	527478414	/nfs/dbraw/zinc/47/84/14/527478414.db2.gz	SMYONMNSJOENEF-UHFFFAOYSA-N	2	2	369.465	2.263	50	70		FEIALP
[NH3+]C1CC(c2cc(N3CC[NH+](Cc4cccnc4)CC3)nc(C3CC3)n2)C1	ZINC000218222753	527138333	/nfs/dbraw/zinc/13/83/33/527138333.db2.gz	CEKRUOXSNLFWBG-UHFFFAOYSA-N	2	2	364.497	2.276	50	70		FEIALP
Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1	ZINC000218031007	527294586	/nfs/dbraw/zinc/29/45/86/527294586.db2.gz	FOFBPZUPFAFCPN-WMQCIHAUSA-N	2	2	354.498	2.486	50	70		FEIALP
Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1	ZINC000218031072	527314288	/nfs/dbraw/zinc/31/42/88/527314288.db2.gz	FOFBPZUPFAFCPN-JRGCBEDISA-N	2	2	354.498	2.486	50	70		FEIALP
Nc1nc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000217995355	527547450	/nfs/dbraw/zinc/54/74/50/527547450.db2.gz	QWANDZAZCLIUOT-UHFFFAOYSA-N	3	2	370.476	2.115	50	70		FEIALP
Nc1nc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000217995355	527547452	/nfs/dbraw/zinc/54/74/52/527547452.db2.gz	QWANDZAZCLIUOT-UHFFFAOYSA-N	3	2	370.476	2.115	50	70		FEIALP
CCc1ccccc1N1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1	ZINC000218017990	132272650	/nfs/dbraw/zinc/27/26/50/132272650.db2.gz	JAPJOIFDYXIYDO-UHFFFAOYSA-N	2	2	352.486	2.153	50	70		FEIALP
Cc1c[nH]nc1C1CC[NH+](Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1	ZINC000218734662	206373338	/nfs/dbraw/zinc/37/33/38/206373338.db2.gz	VKEVMTZEODARBT-GASCZTMLSA-N	2	2	355.490	2.229	50	70		FEIALP
c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1	ZINC000217106339	548680696	/nfs/dbraw/zinc/68/06/96/548680696.db2.gz	MWOUMVJHZMYYDA-FQEVSTJZSA-N	2	2	359.514	2.068	50	70		FEIALP
c1cc(CN2CCC[N@H+]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1	ZINC000217106339	548680699	/nfs/dbraw/zinc/68/06/99/548680699.db2.gz	MWOUMVJHZMYYDA-FQEVSTJZSA-N	2	2	359.514	2.068	50	70		FEIALP
COCCn1c(C[NH2+]Cc2nc3ccccc3s2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000218290548	522066684	/nfs/dbraw/zinc/06/66/84/522066684.db2.gz	RZFCQFRTWRPAOH-JOCQHMNTSA-N	2	2	372.498	2.029	50	70		FEIALP
COc1ccccc1C1CC[NH+](Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1	ZINC000218645592	548689063	/nfs/dbraw/zinc/68/90/63/548689063.db2.gz	LWZOFEIFDCJUBM-IYBDPMFKSA-N	2	2	355.486	2.408	50	70		FEIALP
CCN(C)c1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1	ZINC000217566962	535765592	/nfs/dbraw/zinc/76/55/92/535765592.db2.gz	NAKRACRBSHIRIH-QGZVFWFLSA-N	3	2	371.533	2.465	50	70		FEIALP