smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1	ZINC000012119232	570720160	/nfs/dbraw/zinc/72/01/60/570720160.db2.gz	XFNUXGBFRQBJOB-QGZVFWFLSA-N	0	3	374.440	4.290	40	10		FICBHN
O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1	ZINC000012119232	570720164	/nfs/dbraw/zinc/72/01/64/570720164.db2.gz	XFNUXGBFRQBJOB-QGZVFWFLSA-N	0	3	374.440	4.290	40	10		FICBHN
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(C)ccc2[O-])s1	ZINC000043277888	205103014	/nfs/dbraw/zinc/10/30/14/205103014.db2.gz	YLNSCWWBPKOFBC-UHFFFAOYSA-N	0	3	355.507	4.360	40	10		FICBHN
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)ccc2[O-])s1	ZINC000043277888	205103018	/nfs/dbraw/zinc/10/30/18/205103018.db2.gz	YLNSCWWBPKOFBC-UHFFFAOYSA-N	0	3	355.507	4.360	40	10		FICBHN
Cc1cc(C)n(C2CCN(Cc3ccc(N4CCCC4)c(F)c3)CC2)n1	ZINC000019659129	570897401	/nfs/dbraw/zinc/89/74/01/570897401.db2.gz	NQHFSIGETOZHOI-UHFFFAOYSA-N	0	3	356.489	4.076	40	10		FICBHN
CN(C)c1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1	ZINC000001595088	204013943	/nfs/dbraw/zinc/01/39/43/204013943.db2.gz	JATZKLSPYVTBSI-DEOSSOPVSA-N	0	3	360.501	4.488	40	10		FICBHN
O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1	ZINC000012119235	570720059	/nfs/dbraw/zinc/72/00/59/570720059.db2.gz	XFNUXGBFRQBJOB-KRWDZBQOSA-N	0	3	374.440	4.290	40	10		FICBHN
O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1	ZINC000012119235	570720060	/nfs/dbraw/zinc/72/00/60/570720060.db2.gz	XFNUXGBFRQBJOB-KRWDZBQOSA-N	0	3	374.440	4.290	40	10		FICBHN
C[C@@]12CC[C@H]3c4cc(C[NH+]5CCCC5)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491340	204251100	/nfs/dbraw/zinc/25/11/00/204251100.db2.gz	XRXYRDBGMAXGSO-MCMMJTLISA-N	0	3	355.522	4.205	40	10		FICBHN
CN(C)c1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1	ZINC000005849229	207119351	/nfs/dbraw/zinc/11/93/51/207119351.db2.gz	JATZKLSPYVTBSI-XMMPIXPASA-N	0	3	360.501	4.488	40	10		FICBHN
CCOc1ccc2nc3cc(/N=N/c4ccc(N)nc4N)ccc3c(N)c2c1	ZINC000003954600	560191823	/nfs/dbraw/zinc/19/18/23/560191823.db2.gz	QNWGRUNKGVWOTA-CYYJNZCTSA-N	0	3	373.420	4.344	40	10	in-vitro	FICBHN
COc1ccc(CNC2(c3ccccc3)CC2)cc1Cn1nc(C)cc1C	ZINC000012361867	207365516	/nfs/dbraw/zinc/36/55/16/207365516.db2.gz	RDIRRPLTVQRZDP-UHFFFAOYSA-N	0	3	361.489	4.336	40	10		FICBHN
Cc1cc(C)n(C2CCN(Cc3ccc(N4CCCC4)c(C)c3)CC2)n1	ZINC000019658640	211243171	/nfs/dbraw/zinc/24/31/71/211243171.db2.gz	IDIHCIXOIBKRMF-UHFFFAOYSA-N	0	3	352.526	4.246	40	10		FICBHN
CN(C)c1ccc(CN(CCCn2ccnc2)Cc2ccsc2)cc1	ZINC000036740208	571081317	/nfs/dbraw/zinc/08/13/17/571081317.db2.gz	LTBWPVHMJWCRRO-UHFFFAOYSA-N	0	3	354.523	4.103	40	10		FICBHN
CCOc1ccc2nc3cc(/N=N\c4ccc(N)nc4N)ccc3c(N)c2c1	ZINC000022913013	570952489	/nfs/dbraw/zinc/95/24/89/570952489.db2.gz	QNWGRUNKGVWOTA-RQZHXJHFSA-N	0	3	373.420	4.344	40	10	in-vitro	FICBHN
C[C@]12CC[C@H]3c4cc(C[NH+]5CCCC5)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006500207	570648189	/nfs/dbraw/zinc/64/81/89/570648189.db2.gz	XRXYRDBGMAXGSO-WBZBWJJNSA-N	0	3	355.522	4.205	40	10		FICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C(OC)=C2)cc1	ZINC000104345720	222355809	/nfs/dbraw/zinc/35/58/09/222355809.db2.gz	YKHUZRMQCBXFIA-DQRAZIAOSA-N	0	3	371.437	4.315	40	10		FICBHN
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccncc1	ZINC000033315639	571084489	/nfs/dbraw/zinc/08/44/89/571084489.db2.gz	NGDFOEBLGPLLMQ-STZFKDTASA-N	0	3	356.429	4.295	40	10		FICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C(OC)=C2)cc1	ZINC000004769360	570606286	/nfs/dbraw/zinc/60/62/86/570606286.db2.gz	YKHUZRMQCBXFIA-QURGRASLSA-N	0	3	371.437	4.315	40	10		FICBHN
C[C@]12CC[C@@H]3c4cc(C[NH+]5CCCC5)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006500097	570647797	/nfs/dbraw/zinc/64/77/97/570647797.db2.gz	XRXYRDBGMAXGSO-XMFZQDBWSA-N	0	3	355.522	4.205	40	10		FICBHN
Fc1cc(CNC2(c3ccc(Cl)cc3)CCC2)ccc1N1CCOCC1	ZINC000012361809	570738738	/nfs/dbraw/zinc/73/87/38/570738738.db2.gz	CDJOCNHKVBVTQH-UHFFFAOYSA-N	0	3	374.887	4.485	40	10		FICBHN
Cc1ccc(O)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1	ZINC000036740381	571081450	/nfs/dbraw/zinc/08/14/50/571081450.db2.gz	RYECEHSTRJOKRF-UHFFFAOYSA-N	0	3	353.441	4.129	40	10		FICBHN
C[C@@]12CC[C@@H]3c4cc(C[NH+]5CCCC5)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491312	570647901	/nfs/dbraw/zinc/64/79/01/570647901.db2.gz	XRXYRDBGMAXGSO-AYJQOQHFSA-N	0	3	355.522	4.205	40	10		FICBHN