smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c(C[N@H+](CC(C)C)C2CC2)cc1C(C)C	ZINC000058723260	567896477	/nfs/dbraw/zinc/89/64/77/567896477.db2.gz	SSAIZBGFGATJFQ-UHFFFAOYSA-N	1	1	275.436	4.444	50	10		CICAMO
C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067840180	567900704	/nfs/dbraw/zinc/90/07/04/567900704.db2.gz	MVLZGSHDLCVLSW-CQSZACIVSA-N	1	1	298.430	4.278	50	10		CICAMO
CN(C)c1ccc(/C=C/C[N@@H+](C)C2CCCCC2)cc1	ZINC000004980679	170048715	/nfs/dbraw/zinc/04/87/15/170048715.db2.gz	RNWASUBICSPZBN-BQYQJAHWSA-N	1	1	272.436	4.030	50	10		CICAMO
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000023281645	567888285	/nfs/dbraw/zinc/88/82/85/567888285.db2.gz	KQTGCRPSNWIKNN-HSSUXASLSA-N	1	1	298.474	4.420	50	10		CICAMO
C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067840178	567900420	/nfs/dbraw/zinc/90/04/20/567900420.db2.gz	MVLZGSHDLCVLSW-AWEZNQCLSA-N	1	1	298.430	4.278	50	10		CICAMO
CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000000947493	567936943	/nfs/dbraw/zinc/93/69/43/567936943.db2.gz	UCEHWYYWQMPXQZ-HNNXBMFYSA-N	1	1	269.388	4.310	50	10		CICAMO
Cc1cc(C)c(O)c(C[N@H+](Cc2ccccc2)C(C)C)c1	ZINC000089568877	566983997	/nfs/dbraw/zinc/98/39/97/566983997.db2.gz	GSAGBUFSQRMGEX-UHFFFAOYSA-N	1	1	283.415	4.420	50	10		CICAMO
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1	ZINC000584904321	567856196	/nfs/dbraw/zinc/85/61/96/567856196.db2.gz	KQTGCRPSNWIKNN-MLEHJKIGSA-N	1	1	298.474	4.420	50	10		CICAMO
C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067650595	567899975	/nfs/dbraw/zinc/89/99/75/567899975.db2.gz	OOXIMPXLSBZPNQ-CQSZACIVSA-N	1	1	298.430	4.278	50	10		CICAMO
CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)ccc1O	ZINC000012164155	567862298	/nfs/dbraw/zinc/86/22/98/567862298.db2.gz	FSYKIRIYZLTRTG-QGZVFWFLSA-N	1	1	296.414	4.219	50	10		CICAMO
C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21	ZINC000000053509	567935611	/nfs/dbraw/zinc/93/56/11/567935611.db2.gz	OGPNOYCZRBAADM-UHFFFAOYSA-N	1	1	277.367	4.177	50	10		CICAMO
Cc1cc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1C	ZINC000007075909	170266792	/nfs/dbraw/zinc/26/67/92/170266792.db2.gz	SVPDDRCRYCYCLE-UHFFFAOYSA-N	1	1	293.410	4.298	50	10		CICAMO
Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)CCC2	ZINC000032888330	567870131	/nfs/dbraw/zinc/87/01/31/567870131.db2.gz	PXWACRVWQWYTPQ-LJQANCHMSA-N	1	1	293.410	4.218	50	10		CICAMO
CC(C)(C)n1c[nH+]c2cc(NCc3ccccc3O)ccc21	ZINC000000249582	567925796	/nfs/dbraw/zinc/92/57/96/567925796.db2.gz	RZQYMWFGBPAGBX-UHFFFAOYSA-N	1	1	295.386	4.109	50	10		CICAMO
CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O	ZINC000000216286	567935634	/nfs/dbraw/zinc/93/56/34/567935634.db2.gz	CEMNIBXUIDFQSY-UHFFFAOYSA-N	1	1	275.779	4.068	50	10		CICAMO
Oc1ccc2ccccc2c1C[N@H+]1CCc2sccc2C1	ZINC000014309325	570366150	/nfs/dbraw/zinc/36/61/50/570366150.db2.gz	HHWGGPOGGMRTJL-UHFFFAOYSA-N	1	1	295.407	4.165	50	10		CICAMO
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000023281647	567888512	/nfs/dbraw/zinc/88/85/12/567888512.db2.gz	KQTGCRPSNWIKNN-BYSJCTLISA-N	1	1	298.474	4.420	50	10		CICAMO
Cc1cc(O)c(C[N@@H+](C)C(C2CC2)C2CC2)cc1C(C)C	ZINC000060374530	567896945	/nfs/dbraw/zinc/89/69/45/567896945.db2.gz	HLHWEKLNJIGBSO-UHFFFAOYSA-N	1	1	287.447	4.444	50	10		CICAMO
CC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000000947494	567936930	/nfs/dbraw/zinc/93/69/30/567936930.db2.gz	UCEHWYYWQMPXQZ-OAHLLOKOSA-N	1	1	269.388	4.310	50	10		CICAMO
CCN(CC)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000004980934	170048593	/nfs/dbraw/zinc/04/85/93/170048593.db2.gz	XJXOCSGEBHQWIF-UHFFFAOYSA-N	1	1	294.442	4.091	50	10		CICAMO
C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccccc21	ZINC000006653187	170222443	/nfs/dbraw/zinc/22/24/43/170222443.db2.gz	VCVOALWXMTYVOZ-UHFFFAOYSA-N	1	1	295.357	4.317	50	10		CICAMO
CC[C@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1	ZINC000000278997	567823577	/nfs/dbraw/zinc/82/35/77/567823577.db2.gz	CHMPGWXTGHICCV-OZSKJFCKSA-N	1	1	272.436	4.030	50	10		CICAMO
CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)ccc1O	ZINC000012164159	567862377	/nfs/dbraw/zinc/86/23/77/567862377.db2.gz	FSYKIRIYZLTRTG-KRWDZBQOSA-N	1	1	296.414	4.219	50	10		CICAMO
C[N@@H+](Cc1cccc(F)c1)Cc1c(O)ccc2ccccc21	ZINC000006507346	170207966	/nfs/dbraw/zinc/20/79/66/170207966.db2.gz	VBPOSJWYZQIPJF-UHFFFAOYSA-N	1	1	295.357	4.317	50	10		CICAMO
Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1C	ZINC000012813373	566892830	/nfs/dbraw/zinc/89/28/30/566892830.db2.gz	ROEIPYITNCLZJT-GOSISDBHSA-N	1	1	281.399	4.346	50	10		CICAMO
C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067650589	567900071	/nfs/dbraw/zinc/90/00/71/567900071.db2.gz	OOXIMPXLSBZPNQ-AWEZNQCLSA-N	1	1	298.430	4.278	50	10		CICAMO
CCn1c[nH+]c2cc(NCc3ccc(Cl)cc3)ccc21	ZINC000000423331	570369568	/nfs/dbraw/zinc/36/95/68/570369568.db2.gz	ZFCQFFAVOFMVLT-UHFFFAOYSA-N	1	1	285.778	4.322	50	10		CICAMO
Oc1ccc2ccccc2c1CNc1[nH]c2ccccc2[nH+]1	ZINC000000285497	169597185	/nfs/dbraw/zinc/59/71/85/169597185.db2.gz	LESBHTSZBYJXQC-UHFFFAOYSA-N	1	1	289.338	4.034	50	10		CICAMO
CC(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1	ZINC000000423341	169636908	/nfs/dbraw/zinc/63/69/08/169636908.db2.gz	JXYSKVHDCDWOKI-UHFFFAOYSA-N	1	1	279.387	4.309	50	10		CICAMO
CCCn1c[nH+]c2cc(NCc3cccc(OC)c3)ccc21	ZINC000001060173	567835994	/nfs/dbraw/zinc/83/59/94/567835994.db2.gz	PRPHWGJCZXFCCY-UHFFFAOYSA-N	1	1	295.386	4.067	50	10		CICAMO
Cc1cc(O)c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1C	ZINC000029301171	567883910	/nfs/dbraw/zinc/88/39/10/567883910.db2.gz	CYKMSZYTXJZJFP-SFHVURJKSA-N	1	1	281.399	4.128	50	10		CICAMO
Oc1ccc2ccccc2c1C[N@H+]1CCc2ccccc2C1	ZINC000000971282	567835286	/nfs/dbraw/zinc/83/52/86/567835286.db2.gz	ORTDDZVGDURDHO-UHFFFAOYSA-N	1	1	289.378	4.104	50	10		CICAMO
Cc1cc(O)c(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1C	ZINC000029301165	567883966	/nfs/dbraw/zinc/88/39/66/567883966.db2.gz	CYKMSZYTXJZJFP-GOSISDBHSA-N	1	1	281.399	4.128	50	10		CICAMO
CCCn1c[nH+]c2cc(NCc3ccc(C)cc3)ccc21	ZINC000002464938	567146814	/nfs/dbraw/zinc/14/68/14/567146814.db2.gz	YZBLRXOGAPUABD-UHFFFAOYSA-N	1	1	279.387	4.367	50	10		CICAMO
C[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O	ZINC000032751028	567867778	/nfs/dbraw/zinc/86/77/78/567867778.db2.gz	VGMZBMQCWXVVJL-UHFFFAOYSA-N	1	1	299.414	4.027	50	10		CICAMO
Cc1cnccc1C[N@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067695481	567900053	/nfs/dbraw/zinc/90/00/53/567900053.db2.gz	KVYPXXHDNRAVTB-UHFFFAOYSA-N	1	1	298.430	4.025	50	10		CICAMO
CCN(CC)c1ccc(C[N@@H+](C)CCc2ccccc2)cc1	ZINC000004980872	170048496	/nfs/dbraw/zinc/04/84/96/170048496.db2.gz	BKIPUJWWZUYCKF-UHFFFAOYSA-N	1	1	296.458	4.207	50	10		CICAMO
C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1	ZINC000003115792	567161329	/nfs/dbraw/zinc/16/13/29/567161329.db2.gz	GSGHUPMMVLRKMQ-UHFFFAOYSA-N	1	1	269.388	4.310	50	10		CICAMO
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1	ZINC000584904320	567855741	/nfs/dbraw/zinc/85/57/41/567855741.db2.gz	KQTGCRPSNWIKNN-BMUCWXDRSA-N	1	1	298.474	4.420	50	10		CICAMO
Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)CCC2	ZINC000032888331	567870435	/nfs/dbraw/zinc/87/04/35/567870435.db2.gz	PXWACRVWQWYTPQ-IBGZPJMESA-N	1	1	293.410	4.218	50	10		CICAMO
COc1ccccc1CNc1ccc2c(c1)[nH+]cn2C(C)C	ZINC000004941482	170043117	/nfs/dbraw/zinc/04/31/17/170043117.db2.gz	HENFZVAABCHAFS-UHFFFAOYSA-N	1	1	295.386	4.238	50	10		CICAMO
Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)cc1C	ZINC000012813379	566893309	/nfs/dbraw/zinc/89/33/09/566893309.db2.gz	ROEIPYITNCLZJT-SFHVURJKSA-N	1	1	281.399	4.346	50	10		CICAMO
CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1	ZINC000004333498	567857074	/nfs/dbraw/zinc/85/70/74/567857074.db2.gz	CHMPGWXTGHICCV-IWAYRVGRSA-N	1	1	272.436	4.030	50	10		CICAMO
CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC1	ZINC000019633833	567877744	/nfs/dbraw/zinc/87/77/44/567877744.db2.gz	YKDNFBXXAAISLS-UHFFFAOYSA-N	1	1	288.218	4.321	50	10		CICAMO
CCOc1ccc(CNc2ccc3c(c2)[nH+]cn3CC)cc1	ZINC000000423334	567930449	/nfs/dbraw/zinc/93/04/49/567930449.db2.gz	GHWLFHXNRQNQPD-UHFFFAOYSA-N	1	1	295.386	4.067	50	10		CICAMO
CCc1ccc(CNc2ccc3c(c2)[nH+]cn3CC)cc1	ZINC000000423336	567931166	/nfs/dbraw/zinc/93/11/66/567931166.db2.gz	MOLCLABWQVFVBQ-UHFFFAOYSA-N	1	1	279.387	4.231	50	10		CICAMO
CCCCn1c[nH+]c2cc(NCc3ccccc3O)ccc21	ZINC000003907427	567183025	/nfs/dbraw/zinc/18/30/25/567183025.db2.gz	UBQYQECVPJQQOO-UHFFFAOYSA-N	1	1	295.386	4.154	50	10		CICAMO
CCC[N@H+](Cc1ccc(N(CC)CC)cc1)CC1CC1	ZINC000000278849	567823570	/nfs/dbraw/zinc/82/35/70/567823570.db2.gz	WEVDWQPCAHFKGF-UHFFFAOYSA-N	1	1	274.452	4.155	50	10		CICAMO
CCn1c[nH+]c2cc(NCc3ccccc3Cl)ccc21	ZINC000000423344	567931247	/nfs/dbraw/zinc/93/12/47/567931247.db2.gz	DSHDKTGBGWHISF-UHFFFAOYSA-N	1	1	285.778	4.322	50	10		CICAMO
CCCn1c[nH+]c2cc(NCc3ccccc3OC)ccc21	ZINC000003907431	570329156	/nfs/dbraw/zinc/32/91/56/570329156.db2.gz	DWGNTEQXYWKHOP-UHFFFAOYSA-N	1	1	295.386	4.067	50	10		CICAMO