smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CNCCCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c(OC)c1	ZINC000040801791	205136165	/nfs/dbraw/zinc/13/61/65/205136165.db2.gz	UVWQGMJLTOOEGV-UHFFFAOYSA-N	1	3	375.513	2.387	10	0		GEAEHO
CCN1CC2(CC1=O)CCN(Cc1cccc(OC)c1OCC[NH+](C)C)CC2	ZINC000072422727	205349237	/nfs/dbraw/zinc/34/92/37/205349237.db2.gz	NMDXVJOTLJEUFB-UHFFFAOYSA-N	1	3	389.540	2.470	10	0		GEAEHO
CCNC(=O)[C@@H]1C[C@H](NC2CC[NH+](CC)CC2)CN1Cc1ccc(Cl)cc1	ZINC000299794186	206192123	/nfs/dbraw/zinc/19/21/23/206192123.db2.gz	JMZQFUYNRTVPQG-PMACEKPBSA-N	1	3	392.975	2.493	10	0		GEAEHO
COc1cc(CNCCCO)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011772338	204353034	/nfs/dbraw/zinc/35/30/34/204353034.db2.gz	OORSAYLMAWZKGY-LJQANCHMSA-N	1	3	380.529	2.173	10	0		GEAEHO
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1	ZINC000019639912	207144311	/nfs/dbraw/zinc/14/43/11/207144311.db2.gz	NJEUBLJDCICVMR-OAHLLOKOSA-N	1	3	390.553	2.119	10	0		GEAEHO
COCCN(C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011701524	570393059	/nfs/dbraw/zinc/39/30/59/570393059.db2.gz	PNUOWZIWSKHNLB-IBGZPJMESA-N	1	3	380.529	2.389	10	0		GEAEHO
C[C@@H](C[NH+]1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1)c1ccccc1	ZINC000014977553	207037225	/nfs/dbraw/zinc/03/72/25/207037225.db2.gz	KZZSWSCETBJYPQ-KRWDZBQOSA-N	1	3	384.528	2.010	10	0		GEAEHO
CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cnn(CC)c1C)CC[NH+](C)CC2	ZINC000072473910	208030432	/nfs/dbraw/zinc/03/04/32/208030432.db2.gz	XAGQFQANBLGNMM-IBGZPJMESA-N	1	3	375.561	2.366	10	0		GEAEHO
CCC[NH+]1CCC(N2C[C@H](NCc3ccccc3Cl)C[C@H]2C(=O)NC)CC1	ZINC000023362793	207274777	/nfs/dbraw/zinc/27/47/77/207274777.db2.gz	UWTKWHNYHUWDLW-XLIONFOSSA-N	1	3	392.975	2.493	10	0		GEAEHO
CCC[NH+]1CCC(N2C[C@H](NCc3ccccc3F)C[C@H]2C(=O)NCC)CC1	ZINC000023362968	207276346	/nfs/dbraw/zinc/27/63/46/207276346.db2.gz	LGGLRGWGGHRPNJ-NQIIRXRSSA-N	1	3	390.547	2.369	10	0		GEAEHO
CCC[NH+]1CCC(N2C[C@@H](NCc3ccc(F)cc3)C[C@H]2C(=O)NCC)CC1	ZINC000020351213	207188367	/nfs/dbraw/zinc/18/83/67/207188367.db2.gz	NMDHFFFXNSQMSR-FPOVZHCZSA-N	1	3	390.547	2.369	10	0		GEAEHO
COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@@H](O)CN1CCCN(C)CC1	ZINC000020452506	207193741	/nfs/dbraw/zinc/19/37/41/207193741.db2.gz	CHRQYRKJTQFIER-FQEVSTJZSA-N	1	3	391.556	2.105	10	0		GEAEHO
O=C(NCCC[NH+]1CCCC1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1	ZINC000065256192	136162040	/nfs/dbraw/zinc/16/20/40/136162040.db2.gz	ZACAJNATEHDHEX-NRFANRHFSA-N	1	3	393.535	2.448	10	0		GEAEHO
CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCn2cccn2)CC1	ZINC000015063396	210145347	/nfs/dbraw/zinc/14/53/47/210145347.db2.gz	VBRPNJIXDBMGGX-HXUWFJFHSA-N	1	3	375.561	2.366	10	0		GEAEHO
Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC(C)(C)C[NH+](C)C)C2	ZINC000019732504	210290394	/nfs/dbraw/zinc/29/03/94/210290394.db2.gz	SYBLANAEQQAZIQ-MRXNPFEDSA-N	1	3	375.561	2.081	10	0		GEAEHO
CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cncn1C)N[C@]2(CO)Cc1c[nH]c2ccccc12	ZINC000067758372	211021123	/nfs/dbraw/zinc/02/11/23/211021123.db2.gz	ZJNPDHGGYNJSBY-KSCDAYEDSA-N	1	3	379.508	2.087	10	0		GEAEHO
CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cncn1C)N[C@]2(CO)Cc1c[nH]c2ccccc12	ZINC000067758372	211021126	/nfs/dbraw/zinc/02/11/26/211021126.db2.gz	ZJNPDHGGYNJSBY-KSCDAYEDSA-N	1	3	379.508	2.087	10	0		GEAEHO
O=C(NCCC[NH+]1CCCC1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1	ZINC000065256193	136162123	/nfs/dbraw/zinc/16/21/23/136162123.db2.gz	ZACAJNATEHDHEX-OAQYLSRUSA-N	1	3	393.535	2.448	10	0		GEAEHO
CN(CC[NH+](C)C)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1	ZINC000095516576	211265387	/nfs/dbraw/zinc/26/53/87/211265387.db2.gz	OZKLAMHMRXYRBW-QHCPKHFHSA-N	1	3	397.563	2.478	10	0		GEAEHO
COc1ccc(CC(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)cc1OC	ZINC000019789711	210296040	/nfs/dbraw/zinc/29/60/40/210296040.db2.gz	MZXCZAWUGITJSF-SFHVURJKSA-N	1	3	377.529	2.121	10	0		GEAEHO
COc1ccc(CC(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)cc1OC	ZINC000019789711	210296043	/nfs/dbraw/zinc/29/60/43/210296043.db2.gz	MZXCZAWUGITJSF-SFHVURJKSA-N	1	3	377.529	2.121	10	0		GEAEHO
COCCN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000011701509	570393088	/nfs/dbraw/zinc/39/30/88/570393088.db2.gz	PNUOWZIWSKHNLB-LJQANCHMSA-N	1	3	380.529	2.389	10	0		GEAEHO
C[C@H](C[NH+]1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1)c1ccccc1	ZINC000014977556	210137680	/nfs/dbraw/zinc/13/76/80/210137680.db2.gz	KZZSWSCETBJYPQ-QGZVFWFLSA-N	1	3	384.528	2.010	10	0		GEAEHO
COc1ccc(CNCCc2ccncc2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000019222665	210233477	/nfs/dbraw/zinc/23/34/77/210233477.db2.gz	DJYZGWIAHMKQIZ-HXUWFJFHSA-N	1	3	385.508	2.258	10	0		GEAEHO
CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCn2cccn2)CC1	ZINC000015063397	210145130	/nfs/dbraw/zinc/14/51/30/210145130.db2.gz	VBRPNJIXDBMGGX-FQEVSTJZSA-N	1	3	375.561	2.366	10	0		GEAEHO
CN(Cc1ccccc1)C(=O)Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000016955421	209235590	/nfs/dbraw/zinc/23/55/90/209235590.db2.gz	HQUQJZWFBPGNRL-UHFFFAOYSA-N	1	3	378.480	2.073	10	0		GEAEHO
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1	ZINC000019639906	210278284	/nfs/dbraw/zinc/27/82/84/210278284.db2.gz	NJEUBLJDCICVMR-HNNXBMFYSA-N	1	3	390.553	2.119	10	0		GEAEHO
CN(CC[NH+](C)C)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1	ZINC000095516575	211265023	/nfs/dbraw/zinc/26/50/23/211265023.db2.gz	OZKLAMHMRXYRBW-HSZRJFAPSA-N	1	3	397.563	2.478	10	0		GEAEHO
COc1ccc(CNCCCO)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012090100	221149458	/nfs/dbraw/zinc/14/94/58/221149458.db2.gz	OADMYXXZWOEDDO-IBGZPJMESA-N	1	3	380.529	2.173	10	0		GEAEHO
CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cnn(CC)c1C)CC[NH+](C)CC2	ZINC000072473909	222264446	/nfs/dbraw/zinc/26/44/46/222264446.db2.gz	XAGQFQANBLGNMM-LJQANCHMSA-N	1	3	375.561	2.366	10	0		GEAEHO
C[NH+](C)CC(C)(C)CNCc1ccccc1OC[C@@H](O)CN1CCSCC1	ZINC000012715553	221221169	/nfs/dbraw/zinc/22/11/69/221221169.db2.gz	HTBSMWCZWUKVAA-IBGZPJMESA-N	1	3	395.613	2.153	10	0		GEAEHO
CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cn4c(n3)SCC4)C2)CC1	ZINC000012299942	221175917	/nfs/dbraw/zinc/17/59/17/221175917.db2.gz	DCGMYSSOTNPZNB-INIZCTEOSA-N	1	3	391.585	2.190	10	0		GEAEHO
COc1ccc(CNCCCO)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012090104	221149373	/nfs/dbraw/zinc/14/93/73/221149373.db2.gz	OADMYXXZWOEDDO-LJQANCHMSA-N	1	3	380.529	2.173	10	0		GEAEHO
O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCOCC1	ZINC000067650567	222151646	/nfs/dbraw/zinc/15/16/46/222151646.db2.gz	IKJLUZDQUJOVKF-OAQYLSRUSA-N	1	3	397.563	2.189	10	0		GEAEHO
COc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc2ccccc21	ZINC000004899481	571005076	/nfs/dbraw/zinc/00/50/76/571005076.db2.gz	IGXPCCSAEJUZSY-OALUTQOASA-N	1	3	398.507	2.234	10	0		GEAEHO
O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCOCC1	ZINC000067650565	222152937	/nfs/dbraw/zinc/15/29/37/222152937.db2.gz	IKJLUZDQUJOVKF-NRFANRHFSA-N	1	3	397.563	2.189	10	0		GEAEHO