smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1c(CCC)cc(CN(C)C)cc1CCC	ZINC000001670322	570383762	/nfs/dbraw/zinc/38/37/62/570383762.db2.gz	ZHKFWQHPXQDYHB-UHFFFAOYSA-N	0	3	275.436	4.218	40	30		CIEBHN
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CCN2C	ZINC000001699363	566902173	/nfs/dbraw/zinc/90/21/73/566902173.db2.gz	MFFIRXGJJPPAMA-LXIYXOSZSA-N	0	3	266.388	4.214	40	30		CIEBHN
Cc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018011013	567875870	/nfs/dbraw/zinc/87/58/70/567875870.db2.gz	ZIXNNHAEEXZXRN-XDHOZWIPSA-N	0	3	253.389	4.383	40	30		CIEBHN
O/N=C1/CCC=CCC[C@H]1N1CCC(c2ccccc2)CC1	ZINC000100964716	567914347	/nfs/dbraw/zinc/91/43/47/567914347.db2.gz	PYMZQDBDMGWPTK-AWMOQWESSA-N	0	3	298.430	4.195	40	30		CIEBHN
C=CCNCc1ccc(-c2cc(Cl)ccc2C)o1	ZINC000020158634	171039928	/nfs/dbraw/zinc/03/99/28/171039928.db2.gz	DCKZLMFUOYRPJT-UHFFFAOYSA-N	0	3	261.752	4.184	40	30		CIEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017127553	520292189	/nfs/dbraw/zinc/29/21/89/520292189.db2.gz	LITJQCLCLXFLBN-HWOXTHGCSA-N	0	3	287.447	4.335	40	30		CIEBHN
CC(=N\N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1	ZINC000017021292	526386990	/nfs/dbraw/zinc/38/69/90/526386990.db2.gz	GAZUJKJJBRIPLV-MXWIWYRXSA-N	0	3	294.402	4.011	40	30		CIEBHN
C=C(C)/C(=N/c1cccc(Cl)c1)NC(C)(C)C	ZINC000001572240	567838429	/nfs/dbraw/zinc/83/84/29/567838429.db2.gz	RVXWRMNDUZCDPB-UHFFFAOYSA-N	0	3	250.773	4.334	40	30		CIEBHN
CC[C@H](C)C(=NC)Nc1ccc(Cl)c(Cl)c1	ZINC000001676649	567841106	/nfs/dbraw/zinc/84/11/06/567841106.db2.gz	LCUDVUMGFYXOTA-QMMMGPOBSA-N	0	3	259.180	4.480	40	30		CIEBHN
CCCCCCCCCC(=NNC(=N)N)c1ccccc1	ZINC000104393654	567916686	/nfs/dbraw/zinc/91/66/86/567916686.db2.gz	OUNFZJGOXXVYIM-CAPFRKAQSA-N	0	3	288.439	4.014	40	30		CIEBHN
CCCCCCCCCC(=NNC(=N)N)c1ccccc1	ZINC000104393659	567916795	/nfs/dbraw/zinc/91/67/95/567916795.db2.gz	OUNFZJGOXXVYIM-SILNSSARSA-N	0	3	288.439	4.014	40	30		CIEBHN
C=CCn1c(C)c(/C=C/C2=CCN(C)CC2)c2ccccc21	ZINC000004933135	567934501	/nfs/dbraw/zinc/93/45/01/567934501.db2.gz	APKMYWMUEYECGB-MDZDMXLPSA-N	0	3	292.426	4.411	40	30		CIEBHN
C=C1c2[nH]c3ccccc3c2[C@@H]2[C@H](CC)[C@H]1CCN2C	ZINC000004808220	170020428	/nfs/dbraw/zinc/02/04/28/170020428.db2.gz	MFFIRXGJJPPAMA-VBHSOAQHSA-N	0	3	266.388	4.214	40	30		CIEBHN
CN1CC=C(/C=C/c2ccc(C#Cc3ccccc3)cc2)CC1	ZINC000005002427	170053264	/nfs/dbraw/zinc/05/32/64/170053264.db2.gz	XFIOYZQCXIHFFE-BUHFOSPRSA-N	0	3	299.417	4.362	40	30		CIEBHN
CCCCCCCCCCCC(=O)OCCN(C)C	ZINC000072399750	327110298	/nfs/dbraw/zinc/11/02/98/327110298.db2.gz	JMLUDYXDXUBOTH-UHFFFAOYSA-N	0	3	271.445	4.012	40	30		CIEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001574754	520291174	/nfs/dbraw/zinc/29/11/74/520291174.db2.gz	ASGQVNSGBFJSMI-ISBHARSQSA-N	0	3	291.410	4.166	40	30		CIEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001575873	520292706	/nfs/dbraw/zinc/29/27/06/520292706.db2.gz	LITJQCLCLXFLBN-JKGDOXCYSA-N	0	3	287.447	4.335	40	30		CIEBHN
C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000055433404	526195345	/nfs/dbraw/zinc/19/53/45/526195345.db2.gz	XIRQHDWKOLWYKM-QZCPTFHJSA-N	0	3	294.398	4.175	40	30		CIEBHN
CCn1c2ccccc2nc1[N-][NH+]=C(C)c1ccc(C)cc1	ZINC000408692150	570217179	/nfs/dbraw/zinc/21/71/79/570217179.db2.gz	FLOHGJZHMXICHI-ZHZULCJRSA-N	0	3	292.386	4.201	40	30		CIEBHN
C/C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)=N/O	ZINC000095567696	185010226	/nfs/dbraw/zinc/01/02/26/185010226.db2.gz	YASSBQUIPOISHI-GCFJHJGGSA-N	0	3	294.398	4.026	40	30		CIEBHN
CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000005247748	170078933	/nfs/dbraw/zinc/07/89/33/170078933.db2.gz	KELKCHCDSYUMCO-BVEHLZJYSA-N	0	3	294.398	4.319	40	30		CIEBHN
CN(C)CC[C@@](C#N)(c1cccs1)C1CCCCC1	ZINC000006437071	170201350	/nfs/dbraw/zinc/20/13/50/170201350.db2.gz	NAMLLARPYQPEOG-INIZCTEOSA-N	0	3	276.449	4.041	40	30		CIEBHN
N#CC1CCC[C@@](c2ccccc2)(C2CCCCC2)C1=O	ZINC000001564922	567838040	/nfs/dbraw/zinc/83/80/40/567838040.db2.gz	FFGUANRCTFBQIS-DNVCBOLYSA-N	0	3	281.399	4.397	40	30		CIEBHN
CCCCCC[C@](C#N)(CCN(C)C)c1ccccc1	ZINC000001593243	567839166	/nfs/dbraw/zinc/83/91/66/567839166.db2.gz	RKDJJLXPCHGPJI-GOSISDBHSA-N	0	3	272.436	4.370	40	30		CIEBHN
Cc1ccccc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000018088297	567876369	/nfs/dbraw/zinc/87/63/69/567876369.db2.gz	VDECDUYLXXIOJJ-XDHOZWIPSA-N	0	3	253.389	4.383	40	30		CIEBHN
Cc1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1	ZINC000018154967	567876534	/nfs/dbraw/zinc/87/65/34/567876534.db2.gz	HLGVZVNEMYYNSJ-XDHOZWIPSA-N	0	3	253.389	4.383	40	30		CIEBHN
CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000103557636	570279365	/nfs/dbraw/zinc/27/93/65/570279365.db2.gz	KELKCHCDSYUMCO-TUSZLCGBSA-N	0	3	294.398	4.319	40	30		CIEBHN
N#CC1CCC[C@@](c2ccccc2)(C2CCCCC2)C1=O	ZINC000001564920	567837871	/nfs/dbraw/zinc/83/78/71/567837871.db2.gz	FFGUANRCTFBQIS-HNAYVOBHSA-N	0	3	281.399	4.397	40	30		CIEBHN
CC(=N\N(C)c1ccccc1)/C(C)=N\N(C)c1ccccc1	ZINC000017427514	567875684	/nfs/dbraw/zinc/87/56/84/567875684.db2.gz	GAZUJKJJBRIPLV-VBGLAJCLSA-N	0	3	294.402	4.011	40	30		CIEBHN
CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000005247747	170078881	/nfs/dbraw/zinc/07/88/81/170078881.db2.gz	KELKCHCDSYUMCO-FZGJKKLJSA-N	0	3	294.398	4.319	40	30		CIEBHN
C/C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)=N\O	ZINC000016973069	570225434	/nfs/dbraw/zinc/22/54/34/570225434.db2.gz	YASSBQUIPOISHI-NGYXKBBWSA-N	0	3	294.398	4.026	40	30		CIEBHN
C/C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)=N/O	ZINC000095567695	185010251	/nfs/dbraw/zinc/01/02/51/185010251.db2.gz	YASSBQUIPOISHI-RVPSJEOCSA-N	0	3	294.398	4.026	40	30		CIEBHN
CCCCCCCCNCc1cnc(SCC)nc1	ZINC000103596012	566956304	/nfs/dbraw/zinc/95/63/04/566956304.db2.gz	MNQNUTNMAZFBHC-UHFFFAOYSA-N	0	3	281.469	4.039	40	30		CIEBHN
CN(C)CC[C@](C#N)(c1cccs1)C1CCCCC1	ZINC000001593232	567839143	/nfs/dbraw/zinc/83/91/43/567839143.db2.gz	NAMLLARPYQPEOG-MRXNPFEDSA-N	0	3	276.449	4.041	40	30		CIEBHN
CCN(CC)C(C)(C)C(=O)/C=C\c1ccc(Cl)cc1	ZINC000017142912	567875055	/nfs/dbraw/zinc/87/50/55/567875055.db2.gz	JGRBXLKKQUMTSQ-XFXZXTDPSA-N	0	3	279.811	4.043	40	30		CIEBHN
CCCCCCCCCCCC(=O)CCN(C)C	ZINC000100932684	567914080	/nfs/dbraw/zinc/91/40/80/567914080.db2.gz	JXSDMFVJNNFUEX-UHFFFAOYSA-N	0	3	255.446	4.428	40	30		CIEBHN
CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000101280993	567937220	/nfs/dbraw/zinc/93/72/20/567937220.db2.gz	KELKCHCDSYUMCO-XMSRZWOKSA-N	0	3	294.398	4.319	40	30		CIEBHN
CC[C@@H](C)C(=NC)Nc1ccc(Cl)c(Cl)c1	ZINC000002045464	567844295	/nfs/dbraw/zinc/84/42/95/567844295.db2.gz	LCUDVUMGFYXOTA-MRVPVSSYSA-N	0	3	259.180	4.480	40	30		CIEBHN
NC/C(=N\c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	ZINC000255189154	567110889	/nfs/dbraw/zinc/11/08/89/567110889.db2.gz	OBAUJBRUTLHIBN-UHFFFAOYSA-N	0	3	294.185	4.094	40	30		CIEBHN
N#CC1CCC[C@](c2ccccc2)(C2CCCCC2)C1=O	ZINC000001564923	567838128	/nfs/dbraw/zinc/83/81/28/567838128.db2.gz	FFGUANRCTFBQIS-BEFAXECRSA-N	0	3	281.399	4.397	40	30		CIEBHN
CCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO	ZINC000001768311	567843634	/nfs/dbraw/zinc/84/36/34/567843634.db2.gz	MZURFONFBGGQPQ-UHFFFAOYSA-N	0	3	296.499	4.391	40	30		CIEBHN
C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000004714100	260015793	/nfs/dbraw/zinc/01/57/93/260015793.db2.gz	XIRQHDWKOLWYKM-OHHBCXFOSA-N	0	3	294.398	4.175	40	30		CIEBHN
C/C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)=N\O	ZINC000016973074	570225521	/nfs/dbraw/zinc/22/55/21/570225521.db2.gz	YASSBQUIPOISHI-AZGFIHASSA-N	0	3	294.398	4.026	40	30		CIEBHN
CCN(CC)c1ccc(/C=N/OCc2ccc(C)cc2)cc1	ZINC000003285008	528292870	/nfs/dbraw/zinc/29/28/70/528292870.db2.gz	UAWNYNHZRIKWIC-XSFVSMFZSA-N	0	3	296.414	4.392	40	30		CIEBHN
N#CC1CCC[C@](c2ccccc2)(C2CCCCC2)C1=O	ZINC000001564921	567838086	/nfs/dbraw/zinc/83/80/86/567838086.db2.gz	FFGUANRCTFBQIS-KXBFYZLASA-N	0	3	281.399	4.397	40	30		CIEBHN
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000096429655	567910103	/nfs/dbraw/zinc/91/01/03/567910103.db2.gz	WRZFUOOSXMQGBT-WLXKUWDESA-N	0	3	294.398	4.271	40	30		CIEBHN
O/N=C1/CCCCCCCCCC[C@H]1N1CCCC1	ZINC000005621494	170121156	/nfs/dbraw/zinc/12/11/56/170121156.db2.gz	YPUQSFAZBHQHLM-CFBLSMTOSA-N	0	3	266.429	4.196	40	30		CIEBHN
CCCCCC[C@@](C#N)(CCN(C)C)c1ccccc1	ZINC000005973152	170164501	/nfs/dbraw/zinc/16/45/01/170164501.db2.gz	RKDJJLXPCHGPJI-SFHVURJKSA-N	0	3	272.436	4.370	40	30		CIEBHN
N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000006269636	170187146	/nfs/dbraw/zinc/18/71/46/170187146.db2.gz	XPBGDAVYANBKPR-RCCKNPSSSA-N	0	3	287.366	4.449	40	30		CIEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017126420	520292169	/nfs/dbraw/zinc/29/21/69/520292169.db2.gz	ASGQVNSGBFJSMI-DDKJEQMHSA-N	0	3	291.410	4.166	40	30		CIEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017127556	520310695	/nfs/dbraw/zinc/31/06/95/520310695.db2.gz	LITJQCLCLXFLBN-SWNWVQGVSA-N	0	3	287.447	4.335	40	30		CIEBHN
CCCCCCCNCc1cc(C2CC2)nn1C(C)C	ZINC000256052173	570351806	/nfs/dbraw/zinc/35/18/06/570351806.db2.gz	MEUCAPKXMMLJDS-UHFFFAOYSA-N	0	3	277.456	4.401	40	30		CIEBHN
C(#C[C@@H](c1ccccc1)C1CCCC1)CN1CCCCC1	ZINC000096194481	567140384	/nfs/dbraw/zinc/14/03/84/567140384.db2.gz	DKJVBZHPGUUOJX-FQEVSTJZSA-N	0	3	281.443	4.450	40	30		CIEBHN
CCN(CC)C(C)(C)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000001591438	567839050	/nfs/dbraw/zinc/83/90/50/567839050.db2.gz	JGRBXLKKQUMTSQ-FMIVXFBMSA-N	0	3	279.811	4.043	40	30		CIEBHN
CC(=N/N(C)c1ccccc1)/C(C)=N\N(C)c1ccccc1	ZINC000017427518	567875668	/nfs/dbraw/zinc/87/56/68/567875668.db2.gz	GAZUJKJJBRIPLV-IKBKFCNISA-N	0	3	294.402	4.011	40	30		CIEBHN
O/N=C1/CCC=CCC[C@@H]1N1CCC(c2ccccc2)CC1	ZINC000100964719	567914340	/nfs/dbraw/zinc/91/43/40/567914340.db2.gz	PYMZQDBDMGWPTK-LQYNXBFLSA-N	0	3	298.430	4.195	40	30		CIEBHN
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1	ZINC000096903510	185128067	/nfs/dbraw/zinc/12/80/67/185128067.db2.gz	WRZFUOOSXMQGBT-CMEPIEOSSA-N	0	3	294.398	4.271	40	30		CIEBHN
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1	ZINC000004713342	170003353	/nfs/dbraw/zinc/00/33/53/170003353.db2.gz	WRZFUOOSXMQGBT-QLDOSPRUSA-N	0	3	294.398	4.271	40	30		CIEBHN
O/N=C1/CCCCCCCCCC[C@@H]1N1CCCC1	ZINC000005621501	170120883	/nfs/dbraw/zinc/12/08/83/170120883.db2.gz	YPUQSFAZBHQHLM-SCDSTIRESA-N	0	3	266.429	4.196	40	30		CIEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017126422	520310515	/nfs/dbraw/zinc/31/05/15/520310515.db2.gz	ASGQVNSGBFJSMI-IVOILVROSA-N	0	3	291.410	4.166	40	30		CIEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001575875	520310708	/nfs/dbraw/zinc/31/07/08/520310708.db2.gz	LITJQCLCLXFLBN-KAUXGEHWSA-N	0	3	287.447	4.335	40	30		CIEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001574756	520311384	/nfs/dbraw/zinc/31/13/84/520311384.db2.gz	ASGQVNSGBFJSMI-QSOAKEGCSA-N	0	3	291.410	4.166	40	30		CIEBHN
C(#C[C@H](c1ccccc1)C1CCCC1)CN1CCCCC1	ZINC000096194480	567140436	/nfs/dbraw/zinc/14/04/36/567140436.db2.gz	DKJVBZHPGUUOJX-HXUWFJFHSA-N	0	3	281.443	4.450	40	30		CIEBHN