smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[NH+]1CCC(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000045187306	205092350	/nfs/dbraw/zinc/09/23/50/205092350.db2.gz	KENIXQIUAWECQM-UHFFFAOYSA-N	2	0	387.612	4.296	1	0		GIAFRP
COc1ccc(Sc2ccccc2CSC(N)=[NH2+])c(CSC(N)=[NH2+])c1	ZINC000084690960	205399674	/nfs/dbraw/zinc/39/96/74/205399674.db2.gz	CXRHXJYNKBOVOY-UHFFFAOYSA-N	2	0	392.575	4.100	1	0		GIAFRP
NC(=[NH2+])SCc1cccc2c1Oc1c(CSC(N)=[NH2+])cccc1S2	ZINC000084689487	205398726	/nfs/dbraw/zinc/39/87/26/205398726.db2.gz	YPBKXBQJGRXXJQ-UHFFFAOYSA-N	2	0	376.532	4.197	1	0		GIAFRP
CCC1=[NH+][C@@H](c2ccc(O)cc2)[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)N1	ZINC000013607927	581093375	/nfs/dbraw/zinc/09/33/75/581093375.db2.gz	YSPZCXSHEWGXRL-BJKOFHAPSA-N	2	0	393.531	4.451	1	0		GIAFRP
CC(C)[NH+](CC[C@@](CC[NH+]1CCCCCC1)(C(N)=O)c1ccccc1)C(C)C	ZINC000039254134	205041267	/nfs/dbraw/zinc/04/12/67/205041267.db2.gz	ZUVYGGFQYJOHSX-XMMPIXPASA-N	2	0	387.612	4.185	1	0		GIAFRP
c1cc(C2=[NH+]CCN2)cc2c3cc(C4=[NH+]CCN4)ccc3n(CC3CCCCC3)c12	ZINC000001660296	203918171	/nfs/dbraw/zinc/91/81/71/203918171.db2.gz	ULJWILIIJVNXTE-UHFFFAOYSA-N	2	0	399.542	4.074	1	0		GIAFRP
CC(C)NC(=[NH2+])c1ccc2oc(-c3cc(C(=[NH2+])NC(C)C)ccc3[O-])cc2c1	ZINC000040940069	205075515	/nfs/dbraw/zinc/07/55/15/205075515.db2.gz	DWUARDLAJYBUQZ-UHFFFAOYSA-N	2	0	378.476	4.452	1	0		GIAFRP
CC(C)[C@@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21	ZINC000026974275	207320891	/nfs/dbraw/zinc/32/08/91/207320891.db2.gz	DARQQJKHXPXSRO-QFIPXVFZSA-N	2	0	386.499	4.219	1	0	in-vivo	GIAFRP
NC(=[NH2+])SCc1ccccc1Sc1cc(F)ccc1CSC(N)=[NH2+]	ZINC000084672008	208095362	/nfs/dbraw/zinc/09/53/62/208095362.db2.gz	FCADQHISGWXHMC-UHFFFAOYSA-N	2	0	380.539	4.230	1	0		GIAFRP
c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3[C@H](C3CC[NH2+]CC3)[NH2+]2)nc1-c1ccccc1	ZINC000084672112	208095875	/nfs/dbraw/zinc/09/58/75/208095875.db2.gz	RAJFOGCRMAERDF-GGAORHGYSA-N	2	0	397.526	4.486	1	0		GIAFRP
C[C@@H]([NH2+]CCC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000141871481	208485211	/nfs/dbraw/zinc/48/52/11/208485211.db2.gz	QMTCISZTKGKKTL-SSKHJLFTSA-N	2	0	376.629	4.333	1	0		GIAFRP
CC(C)[C@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21	ZINC000002047482	206396484	/nfs/dbraw/zinc/39/64/84/206396484.db2.gz	DARQQJKHXPXSRO-JOCHJYFZSA-N	2	0	386.499	4.219	1	0		GIAFRP
C[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccc([N+]#N)cc1	ZINC000026499402	207314265	/nfs/dbraw/zinc/31/42/65/207314265.db2.gz	UAVZMUHWDQZXRS-OAHLLOKOSA-O	2	0	396.902	4.314	1	0		GIAFRP
NC(=[NH2+])c1ccc2c(ccn2CCCCCn2ccc3cc(C(N)=[NH2+])ccc32)c1	ZINC000029464249	207363579	/nfs/dbraw/zinc/36/35/79/207363579.db2.gz	UHSPZFSJFNCRRU-UHFFFAOYSA-N	2	0	386.503	4.035	1	0		GIAFRP
c1cc(-c2ccc(C3=[NH+]CCCN3)cc2)oc1-c1ccc(C2=[NH+]CCCN2)cc1	ZINC000001659434	206291772	/nfs/dbraw/zinc/29/17/72/206291772.db2.gz	DPZHKMWQVLEILB-UHFFFAOYSA-N	2	0	384.483	4.093	1	0		GIAFRP
NC(=[NH2+])SCc1cc(F)ccc1Sc1ccc(F)cc1CSC(N)=[NH2+]	ZINC000084709695	208098501	/nfs/dbraw/zinc/09/85/01/208098501.db2.gz	UTMWAIBVJNMOFA-UHFFFAOYSA-N	2	0	398.529	4.369	1	0		GIAFRP
C[NH2+]Cc1cc(O)ccc1C[C@H]1CCC[C@H]([C@]23CC[C@H]([C@@H]([NH3+])C2)C(C)(C)O3)C1	ZINC000085543249	291137133	/nfs/dbraw/zinc/13/71/33/291137133.db2.gz	CKLMHNRBOGLRQK-SBBLIOESSA-N	2	0	386.580	4.136	1	0	biogenic,in-vitro	GIAFRP
NC(=[NH2+])SCc1ccccc1Sc1cc(F)c(F)cc1CSC(N)=[NH2+]	ZINC000084689409	208096615	/nfs/dbraw/zinc/09/66/15/208096615.db2.gz	CMMRFQALGJBNQE-UHFFFAOYSA-N	2	0	398.529	4.369	1	0		GIAFRP
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1[C@H](C)O	ZINC000058566048	136155545	/nfs/dbraw/zinc/15/55/45/136155545.db2.gz	VIFJNFUXJIBEDW-WMZOPIPTSA-N	2	0	390.531	4.480	1	0		GIAFRP
C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccccc2)C1	ZINC000028893092	207351144	/nfs/dbraw/zinc/35/11/44/207351144.db2.gz	RELMLKVZHCPAMI-XMMPIXPASA-N	2	0	382.523	4.467	1	0		GIAFRP
Cc1ccc(Sc2ccccc2CSC(N)=[NH2+])c(CSC(N)=[NH2+])c1	ZINC000084689410	211174567	/nfs/dbraw/zinc/17/45/67/211174567.db2.gz	BHQRWNYLGUZQNK-UHFFFAOYSA-N	2	0	376.576	4.400	1	0		GIAFRP
NC(=[NH2+])SCc1ccccc1Sc1ccc(F)cc1CSC(N)=[NH2+]	ZINC000084672382	211173129	/nfs/dbraw/zinc/17/31/29/211173129.db2.gz	PVODIKFSJIQMMH-UHFFFAOYSA-N	2	0	380.539	4.230	1	0		GIAFRP
COc1ccccc1N1CC[NH+](Cc2cc(C[NH+](C)C)c3cccccc2-3)CC1	ZINC000095559491	136181851	/nfs/dbraw/zinc/18/18/51/136181851.db2.gz	HRHSURDPAJFNRA-UHFFFAOYSA-N	2	0	389.543	4.184	1	0		GIAFRP
Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)cc(Oc2cccc(C(N)=[NH2+])c2)c1F	ZINC000027308125	581092947	/nfs/dbraw/zinc/09/29/47/581092947.db2.gz	AMIWNBPSEQZDCD-UHFFFAOYSA-N	2	0	396.397	4.426	1	0		GIAFRP
NC(=[NH2+])SCc1ccc(F)cc1Oc1ccc(F)cc1CSC(N)=[NH2+]	ZINC000084689683	211173690	/nfs/dbraw/zinc/17/36/90/211173690.db2.gz	NAGNVZUDILOUCT-UHFFFAOYSA-N	2	0	382.461	4.010	1	0		GIAFRP
NC(=[NH2+])SCc1ccccc1Oc1ccc(Cl)cc1CSC(N)=[NH2+]	ZINC000084672009	211172979	/nfs/dbraw/zinc/17/29/79/211172979.db2.gz	PRPQTNNNBBPHAK-UHFFFAOYSA-N	2	0	380.926	4.386	1	0		GIAFRP
c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3[C@@H](C3CC[NH2+]CC3)[NH2+]2)nc1-c1ccccc1	ZINC000084672113	211172446	/nfs/dbraw/zinc/17/24/46/211172446.db2.gz	RAJFOGCRMAERDF-FYYLOGMGSA-N	2	0	397.526	4.486	1	0		GIAFRP
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1[C@@H](C)O	ZINC000169354962	136197279	/nfs/dbraw/zinc/19/72/79/136197279.db2.gz	VIFJNFUXJIBEDW-FUHWJXTLSA-N	2	0	390.531	4.480	1	0		GIAFRP
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000013590279	210070212	/nfs/dbraw/zinc/07/02/12/210070212.db2.gz	GOTLBDMBTPMJPE-WZOHSFFVSA-N	2	0	396.575	4.178	1	0		GIAFRP
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000019462401	210252965	/nfs/dbraw/zinc/25/29/65/210252965.db2.gz	GOTLBDMBTPMJPE-ZYLNGJIFSA-N	2	0	396.575	4.178	1	0		GIAFRP
COc1ccc(CC[NH2+][C@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000013590281	210070600	/nfs/dbraw/zinc/07/06/00/210070600.db2.gz	GOTLBDMBTPMJPE-RLSLOFABSA-N	2	0	396.575	4.178	1	0		GIAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl	ZINC000001655286	209336062	/nfs/dbraw/zinc/33/60/62/209336062.db2.gz	YLAKDSCWFRPBRU-AWEZNQCLSA-N	2	0	388.924	4.012	1	0		GIAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN1CC[NH+](C)CC1	ZINC000072126014	222209672	/nfs/dbraw/zinc/20/96/72/222209672.db2.gz	MKMVBGHBAXVMGI-JOCHJYFZSA-N	2	0	382.939	4.042	1	0		GIAFRP
NC(=[NH2+])SCc1cc(F)ccc1Oc1ccc(F)cc1CSC(N)=[NH2+]	ZINC000084689898	222319741	/nfs/dbraw/zinc/31/97/41/222319741.db2.gz	OXAGDHOUNYGFBJ-UHFFFAOYSA-N	2	0	382.461	4.010	1	0		GIAFRP
NC(=[NH2+])SCc1ccccc1Oc1cc(Cl)ccc1CSC(N)=[NH2+]	ZINC000084671826	222319798	/nfs/dbraw/zinc/31/97/98/222319798.db2.gz	NHLMCVHWSHLEBN-UHFFFAOYSA-N	2	0	380.926	4.386	1	0		GIAFRP
NC(=[NH2+])SCc1cccc2c3cc(F)cc(CSC(N)=[NH2+])c3sc21	ZINC000084689490	222320031	/nfs/dbraw/zinc/32/00/31/222320031.db2.gz	UDMAYDICQXOIIV-UHFFFAOYSA-N	2	0	378.523	4.447	1	0		GIAFRP
C[NH+](C)CCOc1ccc([C@H]2NC=[NH+][C@H]2c2ccc(O)cc2Cl)c(Cl)c1	ZINC000013607930	221276635	/nfs/dbraw/zinc/27/66/35/221276635.db2.gz	OHZQVLLMLJBZQQ-RBUKOAKNSA-N	2	0	394.302	4.053	1	0		GIAFRP
Cc1cccc(CSC(N)=[NH2+])c1Sc1ccccc1CSC(N)=[NH2+]	ZINC000084690338	222321247	/nfs/dbraw/zinc/32/12/47/222321247.db2.gz	WOJXWAUYLHOFCS-UHFFFAOYSA-N	2	0	376.576	4.400	1	0		GIAFRP