smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC[C@H]1C[N@H+](C(C)C)CC1(c1ccccc1)c1ccccc1	ZINC000001569162	570501893	/nfs/dbraw/zinc/50/18/93/570501893.db2.gz	SZEYNVKHRPNYEN-DEOSSOPVSA-N	2	1	364.577	5.045	40	0		FKABMP
CC[NH+](CC)CC[C@@H]1C[N@H+](C(C)C)CC1(c1ccccc1)c1ccccc1	ZINC000001569163	210359128	/nfs/dbraw/zinc/35/91/28/210359128.db2.gz	SZEYNVKHRPNYEN-XMMPIXPASA-N	2	1	364.577	5.045	40	0		FKABMP
C[C@@H](CCC[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001727298	570505996	/nfs/dbraw/zinc/50/59/96/570505996.db2.gz	WWYGIZAIIQNKMF-KRWDZBQOSA-N	2	1	367.924	5.601	40	0		FKABMP
C[C@@H](CCC[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001727298	570505992	/nfs/dbraw/zinc/50/59/92/570505992.db2.gz	WWYGIZAIIQNKMF-KRWDZBQOSA-N	2	1	367.924	5.601	40	0		FKABMP
CCCCCC[NH+](CCCCCC)CCCNc1[nH+]ccc2ccccc21	ZINC000004404067	207018079	/nfs/dbraw/zinc/01/80/79/207018079.db2.gz	WESMXNGVRUFBPI-UHFFFAOYSA-N	2	1	369.597	6.499	40	0		FKABMP
CC[NH+](CC)CCCCCCCCCC[N@@H+](C)Cc1cc2ccccc2o1	ZINC000004610640	206179892	/nfs/dbraw/zinc/17/98/92/206179892.db2.gz	SWZDFZSWOHYGPJ-UHFFFAOYSA-N	2	1	372.597	6.327	40	0		FKABMP
CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CCC1=C(C)CCCC1(C)C	ZINC000004683522	204155796	/nfs/dbraw/zinc/15/57/96/204155796.db2.gz	RNSPTPSTLRQBMR-RBBKRZOGSA-N	2	1	364.662	6.372	40	0		FKABMP
CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H](C)CCC1=C(C)CCCC1(C)C	ZINC000004683523	570600608	/nfs/dbraw/zinc/60/06/08/570600608.db2.gz	RNSPTPSTLRQBMR-UNMCSNQZSA-N	2	1	364.662	6.372	40	0		FKABMP
C[C@H](CCC[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000016955396	570863760	/nfs/dbraw/zinc/86/37/60/570863760.db2.gz	WWYGIZAIIQNKMF-QGZVFWFLSA-N	2	1	367.924	5.601	40	0		FKABMP
C[C@H](CCC[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000016955396	570863756	/nfs/dbraw/zinc/86/37/56/570863756.db2.gz	WWYGIZAIIQNKMF-QGZVFWFLSA-N	2	1	367.924	5.601	40	0		FKABMP
Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1	ZINC000026439927	568648441	/nfs/dbraw/zinc/64/84/41/568648441.db2.gz	BCRCBMUYJMQKMF-CLJLJLNGSA-N	2	1	370.540	5.143	40	0		FKABMP
Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1	ZINC000026439931	568648454	/nfs/dbraw/zinc/64/84/54/568648454.db2.gz	BCRCBMUYJMQKMF-FTJBHMTQSA-N	2	1	370.540	5.143	40	0		FKABMP
C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000028632078	571150512	/nfs/dbraw/zinc/15/05/12/571150512.db2.gz	LSGLXOBUBXDHFI-QTBVYMFASA-N	2	1	354.582	5.155	40	0		FKABMP
Clc1ccc2c(NC3CCC([NH2+]C4CCCCC4)CC3)cc[nH+]c2c1	ZINC000028706435	571034342	/nfs/dbraw/zinc/03/43/42/571034342.db2.gz	FTQCIXDQYNLVGY-UHFFFAOYSA-N	2	1	357.929	5.534	40	0		FKABMP
Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)s1	ZINC000096047377	570473909	/nfs/dbraw/zinc/47/39/09/570473909.db2.gz	BRLVDAGGQZIIQT-UHFFFAOYSA-N	2	1	368.590	5.243	40	0		FKABMP
Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccc(F)cc4)CC3)C2)cc1	ZINC000096047378	209099155	/nfs/dbraw/zinc/09/91/55/209099155.db2.gz	BMQLGLGGFCZOGH-UHFFFAOYSA-N	2	1	366.524	5.012	40	0		FKABMP
Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1	ZINC000245227123	524437875	/nfs/dbraw/zinc/43/78/75/524437875.db2.gz	BCRCBMUYJMQKMF-IZZNHLLZSA-N	2	1	370.540	5.143	40	0		FKABMP
Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1	ZINC000245227124	524440422	/nfs/dbraw/zinc/44/04/22/524440422.db2.gz	BCRCBMUYJMQKMF-UIOOFZCWSA-N	2	1	370.540	5.143	40	0		FKABMP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227260	525618235	/nfs/dbraw/zinc/61/82/35/525618235.db2.gz	IWJZDETVJSSMLD-MZBJOSPHSA-N	2	1	370.540	5.396	40	0		FKABMP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227261	525566138	/nfs/dbraw/zinc/56/61/38/525566138.db2.gz	IWJZDETVJSSMLD-OUIFVKKZSA-N	2	1	370.540	5.396	40	0		FKABMP
C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000257257516	571321759	/nfs/dbraw/zinc/32/17/59/571321759.db2.gz	KPZAEYCJXRLDBH-UHFFFAOYSA-N	2	1	370.581	5.142	40	0		FKABMP
CC[N@H+]1Cc2ccccc2OC2(CCC([NH+](C)CC3=CCCCC3)CC2)C1	ZINC000257286951	571318333	/nfs/dbraw/zinc/31/83/33/571318333.db2.gz	PNTYSVKMYRRBDT-UHFFFAOYSA-N	2	1	368.565	5.015	40	0		FKABMP
CC[NH+]1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1	ZINC000257333092	527993478	/nfs/dbraw/zinc/99/34/78/527993478.db2.gz	YACBARBSHOTRNY-UHFFFAOYSA-N	2	1	370.581	5.094	40	0		FKABMP
CC[NH+]1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1	ZINC000257333092	527993476	/nfs/dbraw/zinc/99/34/76/527993476.db2.gz	YACBARBSHOTRNY-UHFFFAOYSA-N	2	1	370.581	5.094	40	0		FKABMP
CC[N@H+]1Cc2ccccc2OC2(CCC([NH+](C)CC3CCCCC3)CC2)C1	ZINC000257333092	527993473	/nfs/dbraw/zinc/99/34/73/527993473.db2.gz	YACBARBSHOTRNY-UHFFFAOYSA-N	2	1	370.581	5.094	40	0		FKABMP