smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)COc2cccc([N+](C)(C)Cc3ccccc3)c2)cc1OC	ZINC000003965856	717097891	/nfs/dbraw/zinc/09/78/91/717097891.db2.gz	UPHRCMQUKNHOJI-UHFFFAOYSA-N	1	0	406.502	4.733	1	5		HJBFRO
COc1cc2[nH]c(-c3ccc4c(c3)[C@@H]([N+](C)(C)C)CC4)cc(=O)c2cc1-c1cnco1	ZINC000013487626	717108730	/nfs/dbraw/zinc/10/87/30/717108730.db2.gz	JCLZYNSITIMVOU-QFIPXVFZSA-O	1	0	416.501	4.552	1	5		HJBFRO
COc1ccc2c(ccn2CCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1	ZINC000026994050	717114292	/nfs/dbraw/zinc/11/42/92/717114292.db2.gz	DOAAOGYCSASKRL-UHFFFAOYSA-N	1	0	409.550	4.803	1	5		HJBFRO
CCCOCC[N+](C)(CCOCCC)COC(=O)[C@@H](c1ccccc1)C1CCCC1	ZINC000027548722	717114849	/nfs/dbraw/zinc/11/48/49/717114849.db2.gz	YUCOBCPAAUSZGV-DEOSSOPVSA-N	1	0	420.614	4.761	1	5		HJBFRO
CC[N+](CC)(CCCNC(=O)c1nccc2c3ccccc3[nH]c21)Cc1ccccc1	ZINC000064447941	717132648	/nfs/dbraw/zinc/13/26/48/717132648.db2.gz	FHKDBWUQZFGWPA-UHFFFAOYSA-O	1	0	415.561	4.893	1	5		HJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](n1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)C2	ZINC000100597432	717143584	/nfs/dbraw/zinc/14/35/84/717143584.db2.gz	PPYDHVDMMAYDDI-PHZGNYQRSA-N	1	0	419.393	4.925	1	5		HJBFRO
CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@@]32C)C1	ZINC000299841457	717181274	/nfs/dbraw/zinc/18/12/74/717181274.db2.gz	ZWXGQGCKQDMPAM-YFHGXGFGSA-N	1	0	422.674	4.892	1	5		HJBFRO
CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCCC1)O2	ZINC000039318376	717126504	/nfs/dbraw/zinc/12/65/04/717126504.db2.gz	QXGCHAQBPURXSU-UHFFFAOYSA-N	1	0	400.324	4.828	1	5		HJBFRO
Cc1c(C)c(=O)oc2cc(OCCCCOc3cc(O)cc([N+](C)(C)C)c3)ccc12	ZINC000040918214	717127722	/nfs/dbraw/zinc/12/77/22/717127722.db2.gz	BHQTWYSLIIBIGC-UHFFFAOYSA-O	1	0	412.506	4.550	1	5		HJBFRO
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2	ZINC000034806461	717124491	/nfs/dbraw/zinc/12/44/91/717124491.db2.gz	CLEQGDYGJWYDQY-UHFFFAOYSA-N	1	0	414.569	4.750	1	5		HJBFRO
C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1	ZINC000034804462	717124700	/nfs/dbraw/zinc/12/47/00/717124700.db2.gz	IVNWIJDYWPYEER-UHFFFAOYSA-O	1	0	422.376	4.679	1	5		HJBFRO
CCCOCC[N+](C)(CCOCCC)COC(=O)[C@H](c1ccccc1)C1CCCC1	ZINC000027548718	717114487	/nfs/dbraw/zinc/11/44/87/717114487.db2.gz	YUCOBCPAAUSZGV-XMMPIXPASA-N	1	0	420.614	4.761	1	5		HJBFRO
C[N+](C)(Cc1ccc(I)cc1)CC1C2CC3CC(C2)CC1C3	ZINC000095563994	717139261	/nfs/dbraw/zinc/13/92/61/717139261.db2.gz	NMRNIBXHAIJCKJ-UHFFFAOYSA-N	1	0	410.363	4.940	1	5		HJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2	ZINC000103234816	717146675	/nfs/dbraw/zinc/14/66/75/717146675.db2.gz	RZKRJRKBQUAVOB-GBEXYDAJSA-N	1	0	408.459	4.886	1	5		HJBFRO
CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC	ZINC000013741639	717109172	/nfs/dbraw/zinc/10/91/72/717109172.db2.gz	FXIDUJRJJOMHAT-UHFFFAOYSA-N	1	0	400.967	4.951	1	5		HJBFRO
C[N+](C)(C)c1ccc(CC(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1	ZINC000013524867	717108747	/nfs/dbraw/zinc/10/87/47/717108747.db2.gz	QREOMTVXBVGMDL-UHFFFAOYSA-N	1	0	424.521	4.702	1	5		HJBFRO
C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)OCC[N+](C)(C)C)CCC[C@@]1(C)[C@@H]3CC2	ZINC000169329601	717155335	/nfs/dbraw/zinc/15/53/35/717155335.db2.gz	NHKVRWSRSOLECK-MLKDGHKFSA-N	1	0	404.615	4.608	1	5		HJBFRO
CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@@]32C)C1	ZINC000299841456	717181378	/nfs/dbraw/zinc/18/13/78/717181378.db2.gz	ZWXGQGCKQDMPAM-OZGFUWLZSA-N	1	0	422.674	4.892	1	5		HJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2	ZINC000103234813	717146531	/nfs/dbraw/zinc/14/65/31/717146531.db2.gz	LWIJJMUZDJEHEX-CPHPTRQRSA-N	1	0	408.459	4.886	1	5		HJBFRO
CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@@]32C)C1	ZINC000299841454	717181221	/nfs/dbraw/zinc/18/12/21/717181221.db2.gz	ZWXGQGCKQDMPAM-BKWPBFPZSA-N	1	0	422.674	4.892	1	5		HJBFRO
C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2	ZINC000169331626	717155363	/nfs/dbraw/zinc/15/53/63/717155363.db2.gz	OMSYSIFYXZPFJL-UHFFFAOYSA-O	1	0	412.457	4.760	1	5		HJBFRO
C[N+](C)(CCCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1	ZINC000034802332	717124470	/nfs/dbraw/zinc/12/44/70/717124470.db2.gz	WIIBRUOYQHSWSJ-UHFFFAOYSA-O	1	0	414.573	4.622	1	5		HJBFRO
COc1cc2[nH]c(-c3ccc4c(c3)[C@H]([N+](C)(C)C)CC4)cc(=O)c2cc1-c1cnco1	ZINC000013487625	717108638	/nfs/dbraw/zinc/10/86/38/717108638.db2.gz	JCLZYNSITIMVOU-JOCHJYFZSA-O	1	0	416.501	4.552	1	5		HJBFRO
C[N+](C)(C)c1ccc(C(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1	ZINC000026994909	717114112	/nfs/dbraw/zinc/11/41/12/717114112.db2.gz	DGBONYPCHFCKST-UHFFFAOYSA-N	1	0	410.494	4.774	1	5		HJBFRO
CCC(CC)[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2	ZINC000073160017	717133558	/nfs/dbraw/zinc/13/35/58/717133558.db2.gz	RHTDCYORTDFEFL-WILGIRNMSA-N	1	0	413.626	4.729	1	5		HJBFRO
CC[N+](CC)(CC)CCCOc1c2occc2c(Br)c2ccc(=O)oc21	ZINC000001542007	717088726	/nfs/dbraw/zinc/08/87/26/717088726.db2.gz	SRCHOAKFMPJZQX-UHFFFAOYSA-N	1	0	423.327	4.947	1	5		HJBFRO
C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1	ZINC000034804415	717124707	/nfs/dbraw/zinc/12/47/07/717124707.db2.gz	HLTFREXRHSGZIS-UHFFFAOYSA-O	1	0	407.456	4.713	1	5		HJBFRO
CC[N+](C)(CC)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31	ZINC000028902734	581095447	/nfs/dbraw/zinc/09/54/47/581095447.db2.gz	LGSWRVWDOXHDMF-UHFFFAOYSA-O	1	0	402.518	4.651	1	5		HJBFRO
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1	ZINC000029042958	717116389	/nfs/dbraw/zinc/11/63/89/717116389.db2.gz	SIGRYSLYWTWBMY-UHFFFAOYSA-N	1	0	401.574	4.670	1	5		HJBFRO
C[N+](C)(C)c1cccc(C(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1	ZINC000027084443	717114528	/nfs/dbraw/zinc/11/45/28/717114528.db2.gz	YFSVXDVPGCVAGH-UHFFFAOYSA-N	1	0	410.494	4.774	1	5		HJBFRO
CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@@]32C)C1	ZINC000299841455	717181332	/nfs/dbraw/zinc/18/13/32/717181332.db2.gz	ZWXGQGCKQDMPAM-IWDMMCCFSA-N	1	0	422.674	4.892	1	5		HJBFRO