smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000004215812	561694396	/nfs/dbraw/zinc/69/43/96/561694396.db2.gz	SBFXHXZNBNFPHV-PXXBSISHSA-N	0	3	577.726	2.521	10	0	world	KFAEHN
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000004654999	560199412	/nfs/dbraw/zinc/19/94/12/560199412.db2.gz	SBFXHXZNBNFPHV-PSELOKDRSA-N	0	3	577.726	2.521	10	0	in-vitro	KFAEHN
CCCN(CCC)CCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2	ZINC000004757986	552476141	/nfs/dbraw/zinc/47/61/41/552476141.db2.gz	CJCDOKVHLUZYTC-UHFFFAOYSA-N	0	3	502.475	2.760	10	0		KFAEHN
COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCCc5cccc(OC)c5)C4=O)cc3)C2=O)c1	ZINC000008412332	553010022	/nfs/dbraw/zinc/01/00/22/553010022.db2.gz	HYJAGMYISHREIA-VSGBNLITSA-N	0	3	570.646	2.632	10	0		KFAEHN
COc1cccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCCc5cccc(OC)c5)C4=O)cc3)C2=O)c1	ZINC000018203546	553610203	/nfs/dbraw/zinc/61/02/03/553610203.db2.gz	HYJAGMYISHREIA-NSOVKSMOSA-N	0	3	570.646	2.632	10	0		KFAEHN
CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CF)cc(NC[C@H]2C[C@@H]2C)n1	ZINC000028706449	561949710	/nfs/dbraw/zinc/94/97/10/561949710.db2.gz	SIBWATARUGFMIW-XGARDCMYSA-N	0	3	505.660	2.962	10	0		KFAEHN
Cc1ccc(-n2nc(C(=O)NCCN(C)C)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1Cl	ZINC000036089107	554177410	/nfs/dbraw/zinc/17/74/10/554177410.db2.gz	HBCRAXVQTXHKKV-UHFFFAOYSA-N	0	3	509.916	2.715	10	0		KFAEHN
COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(C(C)(C)C)nn3C)c1	ZINC000037425487	554244802	/nfs/dbraw/zinc/24/48/02/554244802.db2.gz	IMNXPDFZRMOVJR-JOCHJYFZSA-N	0	3	503.669	2.582	10	0		KFAEHN
COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(C(C)(C)C)nn3C)c1	ZINC000037425488	554244793	/nfs/dbraw/zinc/24/47/93/554244793.db2.gz	IMNXPDFZRMOVJR-QFIPXVFZSA-N	0	3	503.669	2.582	10	0		KFAEHN
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1	ZINC000049781058	562682554	/nfs/dbraw/zinc/68/25/54/562682554.db2.gz	HTXMSBSZASVVFP-OAQYLSRUSA-N	0	3	566.024	2.737	10	0		KFAEHN
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	ZINC000095862766	553714142	/nfs/dbraw/zinc/71/41/42/553714142.db2.gz	DEQITUUQPICUMR-LKEGRVBMSA-N	0	3	611.743	2.717	10	0		KFAEHN
COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCCc5cccc(OC)c5)C4=O)cc3)C2=O)c1	ZINC000103128906	555297204	/nfs/dbraw/zinc/29/72/04/555297204.db2.gz	HYJAGMYISHREIA-HNRBIFIRSA-N	0	3	570.646	2.632	10	0		KFAEHN
COc1ccc([C@@]2(O)CC[C@@H](N3CC[C@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	ZINC000149456750	571457020	/nfs/dbraw/zinc/45/70/20/571457020.db2.gz	NXZNYBUBXWWKCP-WATLYSKOSA-N	0	3	520.552	2.860	10	0		KFAEHN
CCCCN(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245235966	562881473	/nfs/dbraw/zinc/88/14/73/562881473.db2.gz	PHNZRCYUYHBBNX-IUMDFAGCSA-N	0	3	538.689	2.965	10	0		KFAEHN
CCCCN(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245235967	562881464	/nfs/dbraw/zinc/88/14/64/562881464.db2.gz	PHNZRCYUYHBBNX-LKVPNWEUSA-N	0	3	538.689	2.965	10	0		KFAEHN
CCCCN(C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245235968	562881478	/nfs/dbraw/zinc/88/14/78/562881478.db2.gz	PHNZRCYUYHBBNX-PWVMNMNYSA-N	0	3	538.689	2.965	10	0		KFAEHN
CCCCN(C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245235969	562881492	/nfs/dbraw/zinc/88/14/92/562881492.db2.gz	PHNZRCYUYHBBNX-UKGKTARGSA-N	0	3	538.689	2.965	10	0		KFAEHN
CCN1CCN(CCN2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1	ZINC000245236423	562881486	/nfs/dbraw/zinc/88/14/86/562881486.db2.gz	SSCVXOLGVKLGSV-AZLQSNHZSA-N	0	3	577.770	2.986	10	0		KFAEHN
CCN1CCN(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1	ZINC000245236424	562881449	/nfs/dbraw/zinc/88/14/49/562881449.db2.gz	SSCVXOLGVKLGSV-NZXJAAMGSA-N	0	3	577.770	2.986	10	0		KFAEHN
CCN1CCN(CCN2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1	ZINC000245236425	562881475	/nfs/dbraw/zinc/88/14/75/562881475.db2.gz	SSCVXOLGVKLGSV-SUORWQODSA-N	0	3	577.770	2.986	10	0		KFAEHN
COC(=O)[C@H](Cc1ccccc1)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C	ZINC000301320203	572143940	/nfs/dbraw/zinc/14/39/40/572143940.db2.gz	XWKQWXAZIIYQTF-ZJZGAYNASA-N	0	3	519.683	2.749	10	0		KFAEHN