smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N2C[C@H]3CCC[NH2+][C@@H]3C2)c2c([nH+]1)C[C@H](c1ccccc1)CCC2	ZINC000169362914	206252905	/nfs/dbraw/zinc/25/29/05/206252905.db2.gz	VJUGZSKEQACKNI-MBOZVWFJSA-N	2	0	363.509	2.910	1	0		FFAFRP
NC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000066075822	205362957	/nfs/dbraw/zinc/36/29/57/205362957.db2.gz	OASXAPUIZDEBLF-POZUXBRTSA-N	2	0	365.468	2.591	1	0		FFAFRP
c1nc(-c2ccc(C3=[NH+]CCN3)cc2)oc1-c1ccc(C2=[NH+]CCN2)cc1	ZINC000006536384	204252669	/nfs/dbraw/zinc/25/26/69/204252669.db2.gz	WPSOPVNFLULSAT-UHFFFAOYSA-N	2	0	357.417	2.708	1	0		FFAFRP
C(C[NH2+]CC1CC1)C[NH2+]C[C@@H]1CCC[C@@H](C[NH2+]CCC[NH2+]CC2CC2)C1	ZINC000005849397	207119282	/nfs/dbraw/zinc/11/92/82/207119282.db2.gz	OAZJCKNKDYTSSK-FGZHOGPDSA-N	4	0	364.622	2.751	1	0		FFAFRP
C(C[NH2+]CC1CC1)C[NH2+]C[C@H]1CCC[C@H](C[NH2+]CCC[NH2+]CC2CC2)C1	ZINC000005848585	207118808	/nfs/dbraw/zinc/11/88/08/207118808.db2.gz	OAZJCKNKDYTSSK-VXKWHMMOSA-N	4	0	364.622	2.751	1	0		FFAFRP
NC(=[NH2+])c1ccc(Oc2ccc(N)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1	ZINC000103230530	209249453	/nfs/dbraw/zinc/24/94/53/209249453.db2.gz	WHMQDEXHDVPACY-UHFFFAOYSA-N	2	0	362.393	2.817	1	0		FFAFRP
O[C@@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CC[C@H]1[NH+]1CCCCCC1	ZINC000096441160	209153754	/nfs/dbraw/zinc/15/37/54/209153754.db2.gz	LPZSBWZIMUQESN-NHCUHLMSSA-N	2	0	361.530	2.555	1	0		FFAFRP
NC(=[NH2+])c1cccc(Oc2ccc(N)c(Oc3cccc(C(N)=[NH2+])c3)n2)c1	ZINC000013797392	211060103	/nfs/dbraw/zinc/06/01/03/211060103.db2.gz	QQSLTWQLYHGECT-UHFFFAOYSA-N	2	0	362.393	2.817	1	0		FFAFRP
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538140	521632512	/nfs/dbraw/zinc/63/25/12/521632512.db2.gz	VZNQKXPKGXAFOM-OAQYLSRUSA-N	2	0	363.546	2.924	1	0		FFAFRP
NC(=O)[C@H]1CCC[C@H]([NH+]2CCC([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000066075824	221239522	/nfs/dbraw/zinc/23/95/22/221239522.db2.gz	OASXAPUIZDEBLF-UCLAIMLFSA-N	2	0	365.468	2.591	1	0		FFAFRP
O=c1c(C[NH+]2CCCC2)cc(C[NH+]2CCCC2)cc(C[NH+]2CCCC2)c1O	ZINC000064251730	212037612	/nfs/dbraw/zinc/03/76/12/212037612.db2.gz	RNHLYMGJTHWMPL-UHFFFAOYSA-N	3	0	371.525	2.540	1	0		FFAFRP
NC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000066075829	221239691	/nfs/dbraw/zinc/23/96/91/221239691.db2.gz	OASXAPUIZDEBLF-DKSSEZFCSA-N	2	0	365.468	2.591	1	0		FFAFRP
COc1ccc(C2=[NH+]CCN2)cc1-c1cc2cc(C3=[NH+]CCN3)ccc2o1	ZINC000040939661	220925143	/nfs/dbraw/zinc/92/51/43/220925143.db2.gz	VWKMJMCDAUVSOC-UHFFFAOYSA-N	2	0	360.417	2.808	1	0		FFAFRP
c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1CC[NH+]1CC2(COC2)C1	ZINC000103298410	132237298	/nfs/dbraw/zinc/23/72/98/132237298.db2.gz	QWIOJEBVRFCITB-UHFFFAOYSA-N	2	0	355.526	2.626	1	0		FFAFRP
CC(C)C[C@@H](C[NH3+])CC(=O)OCCCCOC(=O)C[C@@H](C[NH3+])CC(C)C	ZINC000026504647	220516603	/nfs/dbraw/zinc/51/66/03/220516603.db2.gz	CDGSCSMJKMKAQQ-HDICACEKSA-N	2	0	372.550	2.875	1	0		FFAFRP
c1c(-c2ccc(C3=[NH+]CCN3)cc2)noc1-c1cccc(C2=[NH+]CCN2)c1	ZINC000028644797	204885254	/nfs/dbraw/zinc/88/52/54/204885254.db2.gz	QCGVWURENBVVQG-UHFFFAOYSA-N	2	0	357.417	2.708	1	0		FFAFRP
C[NH+](C)CC[C@@](O)(c1ccccc1)[C@](O)(CC[NH+](C)C)c1ccccc1	ZINC000001629520	204014831	/nfs/dbraw/zinc/01/48/31/204014831.db2.gz	HYNGDQGXSYCJPT-SZPZYZBQSA-N	2	0	356.510	2.665	1	0		FFAFRP
[NH3+]CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000040764379	205081622	/nfs/dbraw/zinc/08/16/22/205081622.db2.gz	QOMHZEDGTJFHRB-UHFFFAOYSA-N	2	0	361.921	2.657	1	0		FFAFRP
COc1cc(C2=[NH+]CCN2)ccc1-c1cc2ccc(C3=[NH+]CCN3)cc2o1	ZINC000040420433	205070059	/nfs/dbraw/zinc/07/00/59/205070059.db2.gz	HUAGDTDFNIIEKW-UHFFFAOYSA-N	2	0	360.417	2.808	1	0		FFAFRP
NC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[C@H]([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000101403013	209225297	/nfs/dbraw/zinc/22/52/97/209225297.db2.gz	FBQPVRNOIUERMB-OJFPTFHUSA-N	2	0	365.468	2.591	1	0		FFAFRP
NC(=[NH2+])c1ccc(-c2cncc(-c3ccc(C(N)=[NH2+])cc3F)n2)c(F)c1	ZINC000096938470	209164288	/nfs/dbraw/zinc/16/42/88/209164288.db2.gz	JLHCVFVXOYRVEU-UHFFFAOYSA-N	2	0	352.348	2.657	1	0		FFAFRP
NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H]([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000101403002	209225504	/nfs/dbraw/zinc/22/55/04/209225504.db2.gz	FBQPVRNOIUERMB-BCXHYRKLSA-N	2	0	365.468	2.591	1	0		FFAFRP
CC[NH+](CC)C[C@H](O)CNc1[nH+]cc(C)c2c1c1cc(O)ccc1n2C	ZINC000005139347	207083631	/nfs/dbraw/zinc/08/36/31/207083631.db2.gz	XYHNANURZLXZDK-OAHLLOKOSA-N	2	0	356.470	2.855	1	0		FFAFRP
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1	ZINC000001487527	581100683	/nfs/dbraw/zinc/10/06/83/581100683.db2.gz	CUWCNEISAWREFU-HNNXBMFYSA-N	2	0	367.453	2.556	1	0		FFAFRP
COc1cc(C2=[NH+]CCN2)ccc1-c1cc2cc(C3=[NH+]CCN3)ccc2o1	ZINC000040938166	211764749	/nfs/dbraw/zinc/76/47/49/211764749.db2.gz	DNMQAMAPWVVIDP-UHFFFAOYSA-N	2	0	360.417	2.808	1	0		FFAFRP
COC(=O)C[C@@H](CCc1cccc(C(N)=[NH2+])c1)c1cccc(C(N)=[NH2+])c1	ZINC000013776585	211057825	/nfs/dbraw/zinc/05/78/25/211057825.db2.gz	BJHNYPYYKUGEQS-OAHLLOKOSA-N	2	0	352.438	2.534	1	0		FFAFRP
C[NH+](C)CC[C@@](O)(c1ccccc1)[C@@](O)(CC[NH+](C)C)c1ccccc1	ZINC000001629519	210361344	/nfs/dbraw/zinc/36/13/44/210361344.db2.gz	HYNGDQGXSYCJPT-FGZHOGPDSA-N	2	0	356.510	2.665	1	0		FFAFRP
CCOC(=O)C[C@@H](CCc1ccc(C(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013776610	220093867	/nfs/dbraw/zinc/09/38/67/220093867.db2.gz	ZGOHPVFFWMLVKD-QGZVFWFLSA-N	2	0	366.465	2.924	1	0		FFAFRP
COc1ccc(C(N)=[NH2+])cc1-c1cc(-c2ccc(C(N)=[NH2+])cc2OC)no1	ZINC000103235036	222328388	/nfs/dbraw/zinc/32/83/88/222328388.db2.gz	NEVGMIALJBXDPJ-UHFFFAOYSA-N	2	0	365.393	2.594	1	0		FFAFRP
NC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000066075827	221239108	/nfs/dbraw/zinc/23/91/08/221239108.db2.gz	OASXAPUIZDEBLF-LSBZLQRGSA-N	2	0	365.468	2.591	1	0		FFAFRP
CC[N@@H+]1CCC[C@H]1CN(Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538142	521653847	/nfs/dbraw/zinc/65/38/47/521653847.db2.gz	VZNQKXPKGXAFOM-NRFANRHFSA-N	2	0	363.546	2.924	1	0		FFAFRP
O[C@H]1[C@H]([NH2+]CCSc2ccccn2)c2ccccc2C12CC[NH2+]CC2	ZINC000072470808	728210701	/nfs/dbraw/zinc/21/07/01/728210701.db2.gz	IAECLROESSYFHS-MOPGFXCFSA-N	2	0	355.507	2.500	1	0		FFAFRP
NC(=[NH2+])NCCCCCCCCc1ccc(CCCNC(N)=[NH2+])s1	ZINC000028652717	220581266	/nfs/dbraw/zinc/58/12/66/220581266.db2.gz	KOUTWSKEEVKPDT-UHFFFAOYSA-N	2	0	352.552	2.530	1	0		FFAFRP
O=C(N1CCC[N@@H+](C2CCC2)CC1)[C@@]1(Cc2cccc(F)c2)CCC[NH2+]1	ZINC000049115657	221019110	/nfs/dbraw/zinc/01/91/10/221019110.db2.gz	SSJOVOMSMARZBB-NRFANRHFSA-N	2	0	359.489	2.577	1	0		FFAFRP
Nc1nc(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c2c([nH+]1)C[C@H](c1ccccc1)CCC2	ZINC000049088857	221019712	/nfs/dbraw/zinc/01/97/12/221019712.db2.gz	VJUGZSKEQACKNI-FUHIMQAGSA-N	2	0	363.509	2.910	1	0		FFAFRP
COC(=O)C[C@@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013776605	220093477	/nfs/dbraw/zinc/09/34/77/220093477.db2.gz	CUWCNEISAWREFU-OAHLLOKOSA-N	2	0	367.453	2.556	1	0		FFAFRP