smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)[nH]c21	ZINC000072320792	202364377	/nfs/dbraw/zinc/36/43/77/202364377.db2.gz	LHJLBECWATUPIX-FHWLQOOXSA-N	2	2	339.527	4.830	40	0	biogenic,in-vitro	EJABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)[nH+]c21	ZINC000072320792	202364379	/nfs/dbraw/zinc/36/43/79/202364379.db2.gz	LHJLBECWATUPIX-FHWLQOOXSA-N	2	2	339.527	4.830	40	0	biogenic,in-vitro	EJABLP
c1ccc([C@@H](C[NH2+]CC[NH+]2CCCCCC2)C2CCCCC2)cc1	ZINC000022040746	212273321	/nfs/dbraw/zinc/27/33/21/212273321.db2.gz	WBVPCUCDHWCFHA-JOCHJYFZSA-N	2	2	328.544	4.816	40	0		EJABLP
CCc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)o1	ZINC000043277895	563925682	/nfs/dbraw/zinc/92/56/82/563925682.db2.gz	VNNALVAURUFXHW-UHFFFAOYSA-N	2	2	343.496	4.501	40	0		EJABLP
CCc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)o1	ZINC000043277895	563925683	/nfs/dbraw/zinc/92/56/83/563925683.db2.gz	VNNALVAURUFXHW-UHFFFAOYSA-N	2	2	343.496	4.501	40	0		EJABLP
Clc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1Cl	ZINC000035287275	213018365	/nfs/dbraw/zinc/01/83/65/213018365.db2.gz	FNJAVPOGMOMPBA-UHFFFAOYSA-N	2	2	334.250	4.592	40	0		EJABLP
Clc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccs1	ZINC000043277779	563925669	/nfs/dbraw/zinc/92/56/69/563925669.db2.gz	QWLJKPGASPSKGF-UHFFFAOYSA-N	2	2	345.899	4.691	40	0		EJABLP
Clc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1	ZINC000043277779	563925670	/nfs/dbraw/zinc/92/56/70/563925670.db2.gz	QWLJKPGASPSKGF-UHFFFAOYSA-N	2	2	345.899	4.691	40	0		EJABLP
Cc1cc(NCCC[NH3+])c2c(Cl)ccc(Oc3ccccc3)c2[nH+]1	ZINC000222692760	564037506	/nfs/dbraw/zinc/03/75/06/564037506.db2.gz	JGQSBXHQMDPHHP-UHFFFAOYSA-N	2	2	341.842	4.750	40	0		EJABLP
c1ccc([C@H](C[NH2+]CC[NH+]2CCCCCC2)C2CCCCC2)cc1	ZINC000019365477	212021618	/nfs/dbraw/zinc/02/16/18/212021618.db2.gz	WBVPCUCDHWCFHA-QFIPXVFZSA-N	2	2	328.544	4.816	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000072379086	203211258	/nfs/dbraw/zinc/21/12/58/203211258.db2.gz	BTFRQMZLMLUPSI-HXUWFJFHSA-N	2	2	346.478	4.728	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1	ZINC000072379086	203211261	/nfs/dbraw/zinc/21/12/61/203211261.db2.gz	BTFRQMZLMLUPSI-HXUWFJFHSA-N	2	2	346.478	4.728	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000072379085	216181116	/nfs/dbraw/zinc/18/11/16/216181116.db2.gz	BTFRQMZLMLUPSI-FQEVSTJZSA-N	2	2	346.478	4.728	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1	ZINC000072379085	216181119	/nfs/dbraw/zinc/18/11/19/216181119.db2.gz	BTFRQMZLMLUPSI-FQEVSTJZSA-N	2	2	346.478	4.728	40	0		EJABLP
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2Cl)o1	ZINC000036740247	213115117	/nfs/dbraw/zinc/11/51/17/213115117.db2.gz	JXBTZLXKUOZJRT-UHFFFAOYSA-N	2	2	343.858	4.530	40	0		EJABLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2Cl)o1	ZINC000036740247	213115121	/nfs/dbraw/zinc/11/51/21/213115121.db2.gz	JXBTZLXKUOZJRT-UHFFFAOYSA-N	2	2	343.858	4.530	40	0		EJABLP
CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(Cl)cc2[nH+]1	ZINC000072321033	216149189	/nfs/dbraw/zinc/14/91/89/216149189.db2.gz	WVLVKNMSSHASOM-DZKIICNBSA-N	2	2	331.891	4.572	40	0	biogenic,in-vitro	EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379136	203210930	/nfs/dbraw/zinc/21/09/30/203210930.db2.gz	HHONOEALTFJAFN-QGZVFWFLSA-N	2	2	338.499	4.513	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1	ZINC000072379136	203210933	/nfs/dbraw/zinc/21/09/33/203210933.db2.gz	HHONOEALTFJAFN-QGZVFWFLSA-N	2	2	338.499	4.513	40	0		EJABLP
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1	ZINC000036740248	202330161	/nfs/dbraw/zinc/33/01/61/202330161.db2.gz	WRAQPMSZJJAIAW-UHFFFAOYSA-N	2	2	343.858	4.530	40	0		EJABLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1	ZINC000036740248	202330166	/nfs/dbraw/zinc/33/01/66/202330166.db2.gz	WRAQPMSZJJAIAW-UHFFFAOYSA-N	2	2	343.858	4.530	40	0		EJABLP
Cc1ccc(C[NH+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)s1	ZINC000013991337	211666470	/nfs/dbraw/zinc/66/64/70/211666470.db2.gz	TWKPRCPNOUJQIK-UHFFFAOYSA-N	2	2	345.537	4.715	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379137	216180639	/nfs/dbraw/zinc/18/06/39/216180639.db2.gz	HHONOEALTFJAFN-KRWDZBQOSA-N	2	2	338.499	4.513	40	0		EJABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1	ZINC000072379137	216180642	/nfs/dbraw/zinc/18/06/42/216180642.db2.gz	HHONOEALTFJAFN-KRWDZBQOSA-N	2	2	338.499	4.513	40	0		EJABLP