smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
BrCc1csc2c(Br)cccc12	88038954	UMMVFZUVIZEYIV-UHFFFAOYSA-N	306.022	4.559	50	30	DJGC	
CC(C)(CC(=O)Cl)[C@H](Cl)CC(Cl)(Cl)Cl	59593904	KCJMLLGWGXKENS-RXMQYKEDSA-N	300.440	4.536	50	30	DJGC	
C=CC[C@]1(O)c2ccccc2Oc2ccc(SCl)cc21	604973084	SXDSLXWDBSRKQL-INIZCTEOSA-N	304.798	4.850	50	30	DJGC	
CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl	103286731	GGKDWEAIUIWIND-QGQQYVBWSA-N	314.256	4.508	50	30	DJGC	
CC(C)(C)c1ccc(C(=O)C(C#N)=C2SCCCS2)cc1	1037381	JMBNCBNLLCBBCZ-UHFFFAOYSA-N	317.479	4.772	50	30	DJGC	
C=C[C@H](CCCCC)OOOC[C@H](CCCCCC)OO	223648983	LAHFGVNFBLQIPY-CVEARBPZSA-N	304.427	4.830	50	30	DJGC	
Clc1cc(Cl)c(Br)c(CBr)c1	201547686	YSFLNZBHVBYJIH-UHFFFAOYSA-N	318.823	4.651	50	30	DJGC	
CCCCCCCCCCCCNP(=O)(N(C)C)N(C)C	111872057	HKWUUBDMOFHQEJ-UHFFFAOYSA-N	319.474	4.728	50	30	DJGC	
C[C@@H](O)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C	196881917	QDFQHDWFYMRCJG-KCYAQADSSA-N	312.570	4.974	50	30	DJGC	
CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C(/C=O)CC=O	138949711	ONWPIJATRKQYNM-RLSXYVLESA-N	302.458	4.890	50	30	DJGC	
CC(C)(C)c1ccc(NNC(=O)c2c(F)cccc2Cl)cc1	153258	DDVQOKJZKVZTAH-UHFFFAOYSA-N	320.795	4.534	50	30	DJGC	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1ccccn1	4347863	UDTWCBBGTGUJKH-CPNJWEJPSA-N	312.372	4.725	50	30	DJGC	
CC[C@H](C)O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[C@@H](C)CC	195768782	OQTSOKXAWXRIAC-VGWMRTNUSA-N	320.546	4.682	50	30	DJGC	
CCN1/C(=C/C=C(C#N)C#N)Sc2ccc3ccccc3c21	39440295	IVCQEYMXNFHLME-YVLHZVERSA-N	303.390	4.587	50	30	DJGC	
ClCCCc1cc2ccc(Br)cc2nc1Cl	32099353	PDRMLXVXALIADO-UHFFFAOYSA-N	319.029	4.822	50	30	DJGC	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	138227	JEBIJCUEWSLMKI-NTUHNPAUSA-N	318.254	4.678	50	30	DJGC	
Cc1sc2ccc(Br)cc2c1CBr	306822952	RZSBSLKYAAJIRS-UHFFFAOYSA-N	320.049	4.867	50	30	DJGC	
C=C[C@@H](CCCCC)OOOC[C@@H](CCCCCC)OO	223649160	LAHFGVNFBLQIPY-JKSUJKDBSA-N	304.427	4.830	50	30	DJGC	
O=C(Cl)c1ccc(-c2sccc2Br)cc1	12370817	FNHRRPMNJHHELO-UHFFFAOYSA-N	301.592	4.557	50	30	DJGC	
N#Cc1ccc2c(c1)N(CCCCl)c1ccccc1S2	33605201	PCKXGHYLFFWXAN-UHFFFAOYSA-N	300.814	4.790	50	30	DJGC	
CC(C)=N[C@H](C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195758266	NJWAOQGFQDOLMX-NSHDSACASA-N	309.495	4.709	50	30	DJGC	
CC(C)=N[C@@H](C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195758267	NJWAOQGFQDOLMX-LLVKDONJSA-N	309.495	4.709	50	30	DJGC	
CCN(CC)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1	100042797	FZLSNBUTHWHREL-UHFFFAOYSA-N	313.425	4.610	50	30	DJGC	
CC[C@H](C)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	575629777	OQTSOKXAWXRIAC-FPCVCCKLSA-N	320.546	4.682	50	30	DJGC	
CC(C)Cc1cccc(OCCOCCCl)c1CC(C)C	44709923	SSIYMIKHPYYCEF-UHFFFAOYSA-N	312.881	4.718	50	30	DJGC	
CCCC[C@](C#N)(CBr)c1ccc(Cl)cc1	34373422	HBKJAXWFUVAFLD-CYBMUJFWSA-N	300.627	4.686	50	30	DJGC	
CCCCCCCCCCCCCC(=O)OC[C@@H](O)CCl	72400101	WRPWLPGSBUPQNC-INIZCTEOSA-N	320.901	4.830	50	30	DJGC	in-vitro
CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	22012551	SFEVQUPISPQHOG-UHFFFAOYSA-N	318.644	4.767	50	30	DJGC	
CC[C@H](C)O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[C@H](C)CC	195768781	OQTSOKXAWXRIAC-YHUYYLMFSA-N	320.546	4.682	50	30	DJGC	
Cc1cc(Cl)ccc1NNC(=O)c1cc2ccccc2s1	147489	UCARUYSZWKYGQC-UHFFFAOYSA-N	316.813	4.620	50	30	DJGC	
CCCC[C@@](C#N)(CBr)c1ccc(Cl)cc1	34373424	HBKJAXWFUVAFLD-ZDUSSCGKSA-N	300.627	4.686	50	30	DJGC	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(C(F)(F)F)cc1	109244	DJZCSPPWZCGIJB-UHFFFAOYSA-N	315.298	4.544	50	30	DJGC	
C[C@@H](C#CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C	310026876	VPQONZOAXFBJLD-INIZCTEOSA-N	304.506	4.617	50	30	DJGC	
Cc1oc(C(C)(C)C)cc1C(=O)/C(C#N)=C/Nc1ccccc1	113468	HKVPUUGOUUPQFK-WYMLVPIESA-N	308.381	4.588	50	30	DJGC	
N#Cc1cccc(-c2ccc3c(c2)[C@H](Cl)NC=C3Cl)c1	104908760	VEHAHCNKFDUKNS-MRXNPFEDSA-N	301.176	4.603	50	30	DJGC	
C=C(C)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	199033715	PAQMOJBNTFYAFL-UHFFFAOYSA-N	304.731	4.732	50	30	DJGC	
CCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CCl	95858495	ROUWPGVROGNVAW-KRWDZBQOSA-N	306.942	4.583	50	30	DJGC	
CC[C@H](C)O[Si](O[C@@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	195768783	OQTSOKXAWXRIAC-RUPPMWDTSA-N	320.546	4.682	50	30	DJGC	
O=C(CCCl)Nc1ccc(Cl)cc1Nc1ccccc1	33611302	FFTZQCADOSDDJO-UHFFFAOYSA-N	309.196	4.651	50	30	DJGC	
C[Si](CCCl)(OCc1ccccc1)OCc1ccccc1	195769400	HGOBZGOWIVLKDF-UHFFFAOYSA-N	320.892	4.731	50	30	DJGC	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	4345015	FBMVQWGNIXUDBV-YRNVUSSQSA-N	314.175	4.934	50	30	DJGC	
N#CC(C#N)=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12	108813	YMWWOGVQOKHTAO-UHFFFAOYSA-N	303.752	4.919	50	30	DJGC	
CCCC[N+](CCCC)(CCCC)CCCBr	2510863	LNUIDVVKZBNILX-UHFFFAOYSA-N	307.340	4.989	50	30	DJGC	in-vitro
N#C/C(=C\c1cccc(F)c1)C(=O)c1csc2ccccc12	4371341	PCMCUZPLAWGISL-MDWZMJQESA-N	307.349	4.830	50	30	DJGC	
CCCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	146648	AHUIXIWFTLAAOH-UHFFFAOYSA-N	323.223	4.703	50	30	DJGC	
CC(C)(CC(=O)Cl)[C@@H](Cl)CC(Cl)(Cl)Cl	59593908	KCJMLLGWGXKENS-YFKPBYRVSA-N	300.440	4.536	50	30	DJGC	
COc1ccc(/C(C#N)=C/c2cc(Br)cs2)cc1	90820	AHBMRKVSYSOSHM-IZZDOVSWSA-N	320.211	4.583	50	30	DJGC	
Cc1cc(OCc2ccccc2)cc(C)c1CBr	35323322	DZHIUWLZQNQNKD-UHFFFAOYSA-N	305.215	4.777	50	30	DJGC	
CC(C)(C)[Si](C)(C)OCCC(=O)O[Si](C)(C)C(C)(C)C	195810492	GTADNJPZLIFKDX-UHFFFAOYSA-N	318.606	4.947	50	30	DJGC	
C=C[C@@H](CCCCC)OOOC[C@H](CCCCCC)OO	223649103	LAHFGVNFBLQIPY-HOTGVXAUSA-N	304.427	4.830	50	30	DJGC	
C=C[C@H](CCCCC)OOOC[C@@H](CCCCCC)OO	223649041	LAHFGVNFBLQIPY-HZPDHXFCSA-N	304.427	4.830	50	30	DJGC	
N#Cc1cccc(-c2ccc3c(c2)[C@@H](Cl)NC=C3Cl)c1	104908763	VEHAHCNKFDUKNS-INIZCTEOSA-N	301.176	4.603	50	30	DJGC	
C[Si](C)(C)OCCc1cn([Si](C)(C)C)c2ccccc12	195781258	YJKOXZONNHLLNX-UHFFFAOYSA-N	305.570	4.718	50	30	DJGC	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1ccsc1	4389944	OHEXUKPPBIACTR-KPKJPENVSA-N	307.296	4.557	50	30	DJGC	
CC(C)c1ccc(NNC(=O)c2cc3ccccc3s2)cc1	147709	XXECEMDXLDALEC-UHFFFAOYSA-N	310.422	4.782	50	30	DJGC	
Cc1ccccc1N/C=C(\C#N)C(=O)c1cc(C(C)(C)C)oc1C	3467848	DDRZXNNUANPMTF-NTCAYCPXSA-N	322.408	4.896	50	30	DJGC	
CCCCCCCCCCCC[N+](C)(C)C[C@H](O)CCl	95858494	ROUWPGVROGNVAW-QGZVFWFLSA-N	306.942	4.583	50	30	DJGC	
Cc1ccc(NNC(=O)c2cc3ccccc3s2)cc1Cl	147443	ZEUCJMVGUWOPII-UHFFFAOYSA-N	316.813	4.620	50	30	DJGC	
Clc1cc(CBr)cc(Cl)c1Br	222242358	IFCDXNBZOIXGBS-UHFFFAOYSA-N	318.823	4.651	50	30	DJGC	
C=CC[C@@]1(O)c2ccccc2Oc2ccc(SCl)cc21	604973085	SXDSLXWDBSRKQL-MRXNPFEDSA-N	304.798	4.850	50	30	DJGC	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccsc1	4389946	CHZPEFDUCAHSSD-VZUCSPMQSA-N	308.189	4.845	50	30	DJGC	
N#C/C(=C\c1cccs1)C(=O)c1cccc(C(F)(F)F)c1	4350447	FVGUWYNLUBTLAW-DHZHZOJOSA-N	307.296	4.557	50	30	DJGC	
CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Cl	103286733	GGKDWEAIUIWIND-FAFAAHBOSA-N	314.256	4.508	50	30	DJGC	
CC(C)(C)c1ccc(N/C=C(\C#N)C(=O)c2ccsc2)cc1	2155152	YOFGMZUBEHPWII-SDNWHVSQSA-N	310.422	4.748	50	30	DJGC	
CCCCCCCCCCCCCC(=O)OC[C@H](O)CCl	72400100	WRPWLPGSBUPQNC-MRXNPFEDSA-N	320.901	4.830	50	30	DJGC	in-vitro
CCCCCCCCO[P@@](=O)(O)OCCC(Cl)Cl	78583342	LEYKLJDREJGQML-UHFFFAOYSA-N	321.181	4.674	50	30	DJGC