smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C	ZINC000161093226	432759739	/nfs/dbraw/zinc/75/97/39/432759739.db2.gz	ZCVLLGNNLXBCIY-NXEWRWPSSA-N	2	1	316.489	3.443	10	70		DGIEMP
O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384422	432776278	/nfs/dbraw/zinc/77/62/78/432776278.db2.gz	KAWCAHLTBLZYKN-UXHICEINSA-N	2	1	316.489	3.451	10	70		DGIEMP
CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000161090496	528975729	/nfs/dbraw/zinc/97/57/29/528975729.db2.gz	GYEOEANMKQNJFS-UXDRXVOSSA-N	2	1	302.462	3.197	10	70		DGIEMP
c1cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161325007	432772506	/nfs/dbraw/zinc/77/25/06/432772506.db2.gz	IZLGMXQKGLKPOS-QGZVFWFLSA-N	2	1	316.445	3.428	10	70		DGIEMP
c1cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161325007	432772512	/nfs/dbraw/zinc/77/25/12/432772512.db2.gz	IZLGMXQKGLKPOS-QGZVFWFLSA-N	2	1	316.445	3.428	10	70		DGIEMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1	ZINC000160553226	432729211	/nfs/dbraw/zinc/72/92/11/432729211.db2.gz	HNBPBKDPFTWHPS-FNHZYXHNSA-N	2	1	313.445	3.382	10	70		DGIEMP
c1cc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161324878	432772377	/nfs/dbraw/zinc/77/23/77/432772377.db2.gz	IZLGMXQKGLKPOS-KRWDZBQOSA-N	2	1	316.445	3.428	10	70		DGIEMP
c1cc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161324878	432772381	/nfs/dbraw/zinc/77/23/81/432772381.db2.gz	IZLGMXQKGLKPOS-KRWDZBQOSA-N	2	1	316.445	3.428	10	70		DGIEMP
COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C	ZINC000161093111	432760206	/nfs/dbraw/zinc/76/02/06/432760206.db2.gz	ZCVLLGNNLXBCIY-RAFMOHDBSA-N	2	1	316.489	3.443	10	70		DGIEMP
O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384117	432776471	/nfs/dbraw/zinc/77/64/71/432776471.db2.gz	KAWCAHLTBLZYKN-VQTJNVASSA-N	2	1	316.489	3.451	10	70		DGIEMP
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO	ZINC000160725079	432738018	/nfs/dbraw/zinc/73/80/18/432738018.db2.gz	XGVDIWQUKBBXCF-KURKYZTESA-N	2	1	310.526	3.418	10	70		DGIEMP
Cn1cc[nH+]c1CC1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000160689347	432735407	/nfs/dbraw/zinc/73/54/07/432735407.db2.gz	XVSYUYKDJBGZHJ-UHFFFAOYSA-N	2	1	306.413	3.427	10	70		DGIEMP
c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160584475	292817725	/nfs/dbraw/zinc/81/77/25/292817725.db2.gz	PPKOXEXCVXAFDP-NRFANRHFSA-N	2	1	322.452	3.296	10	70		DGIEMP
c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160584601	292817887	/nfs/dbraw/zinc/81/78/87/292817887.db2.gz	PPKOXEXCVXAFDP-OAQYLSRUSA-N	2	1	322.452	3.296	10	70		DGIEMP
O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384304	432776695	/nfs/dbraw/zinc/77/66/95/432776695.db2.gz	KAWCAHLTBLZYKN-WOJBJXKFSA-N	2	1	316.489	3.451	10	70		DGIEMP
CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO	ZINC000160725349	432737087	/nfs/dbraw/zinc/73/70/87/432737087.db2.gz	XGVDIWQUKBBXCF-KZNAEPCWSA-N	2	1	310.526	3.418	10	70		DGIEMP
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161350049	432775065	/nfs/dbraw/zinc/77/50/65/432775065.db2.gz	LXQSBKDAYXCFFD-QGZVFWFLSA-N	2	1	304.482	3.050	10	70		DGIEMP
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161350049	432775066	/nfs/dbraw/zinc/77/50/66/432775066.db2.gz	LXQSBKDAYXCFFD-QGZVFWFLSA-N	2	1	304.482	3.050	10	70		DGIEMP
O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384222	432776247	/nfs/dbraw/zinc/77/62/47/432776247.db2.gz	KAWCAHLTBLZYKN-PMACEKPBSA-N	2	1	316.489	3.451	10	70		DGIEMP
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161349925	432774944	/nfs/dbraw/zinc/77/49/44/432774944.db2.gz	LXQSBKDAYXCFFD-KRWDZBQOSA-N	2	1	304.482	3.050	10	70		DGIEMP
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161349925	432774946	/nfs/dbraw/zinc/77/49/46/432774946.db2.gz	LXQSBKDAYXCFFD-KRWDZBQOSA-N	2	1	304.482	3.050	10	70		DGIEMP