smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](CCl)CCCC(C)(C)C	82764899	UELYKMXNNOCXJG-VIFPVBQESA-N	176.731	4.078	50	20	AIGD	
CC[C@@H](C)CC1(CCl)CCCC1	85043530	NOLKXWKOZBOOQV-SNVBAGLBSA-N	188.742	4.222	50	20	AIGD	
CC1CCC(C[C@H](C)CCl)CC1	82856957	YQNXMEHHPAOECL-YVNMAJEFSA-N	188.742	4.078	50	20	AIGD	
CC(C)[C@H](C)C1(CCl)CCCC1	307529068	LDEUMRDAMZFDFT-JTQLQIEISA-N	188.742	4.078	50	20	AIGD	
CC1CCC(C[C@@H](C)CCl)CC1	82856956	YQNXMEHHPAOECL-HSOILSAZSA-N	188.742	4.078	50	20	AIGD	
CCC[C@](C)(CCl)C[C@@H](C)CC	85043712	OFQCGLUSGSYHMK-QWRGUYRKSA-N	190.758	4.468	50	20	AIGD	
CCC[C@@H](CCl)C[C@H](C)CC	85044843	CQPZBZPPCXNXFA-NXEZZACHSA-N	176.731	4.078	50	20	AIGD	
CC[C@H](C)CC(CC)(CC)CCl	85043926	TYZMNSHLLBIKCZ-JTQLQIEISA-N	190.758	4.468	50	20	AIGD	
CC[C@@](C)(CCl)CCC(C)(C)C	85044300	RCSCTSRMNYWODR-LLVKDONJSA-N	190.758	4.468	50	20	AIGD	
CC[C@H](C)C[C@@H](CCl)CC(C)C	85044597	KXBUBGSBRAUMPX-QWRGUYRKSA-N	190.758	4.324	50	20	AIGD	
C=C/C(=C/C)O[Si](C)(C)C(C)(C)C	209148397	JKJNQXHPPKODQV-KTKRTIGZSA-N	198.382	4.098	50	20	AIGD	
CCC[C@H](CCl)C[C@H](C)CC	85044842	CQPZBZPPCXNXFA-ZJUUUORDSA-N	176.731	4.078	50	20	AIGD	
CCCC[C@H](CC)C[C@@H](C)CCl	85044160	BORQOZPHQSLMMQ-MNOVXSKESA-N	190.758	4.468	50	20	AIGD	
CC[C@@H](C)C1(CCl)CCCCC1	87176719	XPHHDYWGZWZSDV-SNVBAGLBSA-N	188.742	4.222	50	20	AIGD	
CCC[C@@](C)(CCl)C[C@H](C)CC	85043715	OFQCGLUSGSYHMK-GHMZBOCLSA-N	190.758	4.468	50	20	AIGD	
CCC[C@H](CCl)CC1CCCC1	85044670	UMQIFMAGWGZOPC-NSHDSACASA-N	188.742	4.222	50	20	AIGD	
CC[C@H](CCl)CCC(C)(C)C	85045226	KHBQIIIRQSWQGY-VIFPVBQESA-N	176.731	4.078	50	20	AIGD	
CCCC[C@@H](CC)C[C@@H](C)CCl	85044159	BORQOZPHQSLMMQ-GHMZBOCLSA-N	190.758	4.468	50	20	AIGD	
CCCC[C@@H](CCl)CC(C)C	85044435	AJGPUHRERPKAQH-SNVBAGLBSA-N	176.731	4.078	50	20	AIGD	
CC(C)(C)C1CCC(CCl)CC1	71083848	BNNVKUMESAYPCO-UHFFFAOYSA-N	188.742	4.078	50	20	AIGD	
CC(C)[C@@H](CCl)CC1CCCC1	85044905	DWRGQEBREMHJDK-LLVKDONJSA-N	188.742	4.078	50	20	AIGD	
CCC[C@H](C)C[C@@H](CC)CCl	85045127	LGDMNBTZSKBULP-VHSXEESVSA-N	176.731	4.078	50	20	AIGD	
CCCCC[C@H](CCl)CC(C)C	85044516	HZZAAUPBHGCYAX-NSHDSACASA-N	190.758	4.468	50	20	AIGD	
CCCC[C@H](CC)CCCCl	71128811	VHRBLSBLEOOHIN-JTQLQIEISA-N	176.731	4.222	50	20	AIGD	
CC[C@H](Cl)c1cccc(Cl)c1	57332755	KPBFMCRHWUEOPC-VIFPVBQESA-N	189.085	4.030	50	20	AIGD	
CCC[C@H](C)C[C@@](C)(CC)CCl	85044208	CXPCTIMTTJNSAL-WDEREUQCSA-N	190.758	4.468	50	20	AIGD	
CCC[C@@](C)(CCl)CCC(C)C	85043631	PLGKQGWUTVDQPD-LLVKDONJSA-N	190.758	4.468	50	20	AIGD	
CC(C)(C)[C@H](CCl)C1CCCC1	162512829	KXUNOSDYKCSEHD-SNVBAGLBSA-N	188.742	4.078	50	20	AIGD	
CC[C@H](C)C1(CCl)CCCCC1	87176721	XPHHDYWGZWZSDV-JTQLQIEISA-N	188.742	4.222	50	20	AIGD	
CCC[C@H](C)C[C@H](CCl)CCC	85044657	PKZGZHHKOAZBMV-WDEREUQCSA-N	190.758	4.468	50	20	AIGD	
CCC[C@H](C)C[C@](C)(CC)CCl	85044210	CXPCTIMTTJNSAL-QWRGUYRKSA-N	190.758	4.468	50	20	AIGD	
CCCCCCC[C@H](C)CCl	114930096	QNAPZUQLHQPGCQ-JTQLQIEISA-N	176.731	4.222	50	20	AIGD	
CC(C)(C)[C@@H](CCl)C1CCCC1	162512707	KXUNOSDYKCSEHD-JTQLQIEISA-N	188.742	4.078	50	20	AIGD	
CCCC[C@@H](CC)CCCCl	71128810	VHRBLSBLEOOHIN-SNVBAGLBSA-N	176.731	4.222	50	20	AIGD	
CCC[C@@H](C)C[C@H](CC)CCl	85045128	LGDMNBTZSKBULP-ZJUUUORDSA-N	176.731	4.078	50	20	AIGD	
CC(C)(CCl)C1CCCCCC1	130005860	SEMLOLBTWWVXIC-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CC(C)[C@@H](C)C1(CCl)CCCC1	307529069	LDEUMRDAMZFDFT-SNVBAGLBSA-N	188.742	4.078	50	20	AIGD	
CCC[C@@H](CCl)C[C@@H](C)CC	85044841	CQPZBZPPCXNXFA-VHSXEESVSA-N	176.731	4.078	50	20	AIGD	
CC[C@](C)(CCl)C1CCCCC1	130019066	HHKVYMIJWFZFTO-LLVKDONJSA-N	188.742	4.222	50	20	AIGD	
C[C@@H](CCl)CCCC(C)(C)C	82764900	UELYKMXNNOCXJG-SECBINFHSA-N	176.731	4.078	50	20	AIGD	
CCC[C@](C)(CCl)C[C@H](C)CC	85043714	OFQCGLUSGSYHMK-MNOVXSKESA-N	190.758	4.468	50	20	AIGD	
CCC[C@H](CCl)C[C@@H](C)CC	85044840	CQPZBZPPCXNXFA-UWVGGRQHSA-N	176.731	4.078	50	20	AIGD	
CCCCC[C@@H](CCl)CCC	85044743	XCUQACNJYLSDFO-JTQLQIEISA-N	176.731	4.222	50	20	AIGD	
CC1(C)CCC(CCCCl)CC1	307386493	KGGDANVDUHEHPN-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CC(C)(C)CCC1(CCl)CCC1	85043170	ACCJQAHCWCCWJG-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CCCCCCC(C)(C)CCl	85042772	NLVTYXBEPSHDCB-UHFFFAOYSA-N	176.731	4.222	50	20	AIGD	
CCCC[C@@H](CC)C[C@H](C)CCl	85044161	BORQOZPHQSLMMQ-WDEREUQCSA-N	190.758	4.468	50	20	AIGD	
CCCC[C@H](CC)C[C@H](C)CCl	85044162	BORQOZPHQSLMMQ-QWRGUYRKSA-N	190.758	4.468	50	20	AIGD	
CCCCCCC[C@@H](C)CCl	114930094	QNAPZUQLHQPGCQ-SNVBAGLBSA-N	176.731	4.222	50	20	AIGD	
CCC[C@@H](C)C[C@H](CCl)CCC	85044656	PKZGZHHKOAZBMV-GHMZBOCLSA-N	190.758	4.468	50	20	AIGD	
CCC[C@@H](CCl)CCC(C)(C)C	85044747	VMHUHPNKBAQRFP-SNVBAGLBSA-N	190.758	4.468	50	20	AIGD	
CC(C)CC1(CCl)CCCCC1	85043374	ZCKKZDZVGJUTLG-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
C[C@H](CCl)C[C@@H]1CCC[C@H](C)C1	251844464	OLTBLMZJDZQSOR-GARJFASQSA-N	188.742	4.078	50	20	AIGD	
CC[C@H](CCl)C1CCCCCC1	130023347	NBPNBCKRQZDKDP-SNVBAGLBSA-N	188.742	4.222	50	20	AIGD	
CC[C@@H](C)CC(CC)(CC)CCl	85043925	TYZMNSHLLBIKCZ-SNVBAGLBSA-N	190.758	4.468	50	20	AIGD	
CC[C@@](C)(CCl)C1CCCCC1	130018819	HHKVYMIJWFZFTO-NSHDSACASA-N	188.742	4.222	50	20	AIGD	
CCCCC[C@@H](CCl)CC(C)C	85044517	HZZAAUPBHGCYAX-LLVKDONJSA-N	190.758	4.468	50	20	AIGD	
CCC[C@](C)(CCl)CCC(C)C	85043630	PLGKQGWUTVDQPD-NSHDSACASA-N	190.758	4.468	50	20	AIGD	
CC[C@@H](C)C[C@H](CCl)CC(C)C	85044594	KXBUBGSBRAUMPX-GHMZBOCLSA-N	190.758	4.324	50	20	AIGD	
CCCCCCC1(CCl)CCC1	85043151	ATTNFKMOUHWXIS-UHFFFAOYSA-N	188.742	4.366	50	20	AIGD	
Cc1ccc(C(C)(C)C)cc1CCl	49779880	HALFEDSYDFTNIW-UHFFFAOYSA-N	196.721	4.031	50	20	AIGD	
CCCC[C@@](C)(CCl)CCC	85043549	NGUJZDIXGCBTFR-JTQLQIEISA-N	176.731	4.222	50	20	AIGD	
CC(C)[C@H](CCl)CCC(C)(C)C	85044978	ADCIKAGSAFWHJT-JTQLQIEISA-N	190.758	4.324	50	20	AIGD	
CC(C)[C@H](CCl)CC1CCCC1	85044904	DWRGQEBREMHJDK-NSHDSACASA-N	188.742	4.078	50	20	AIGD	
CC[C@@H](C)C[C@@H](CCl)CC(C)C	85044596	KXBUBGSBRAUMPX-MNOVXSKESA-N	190.758	4.324	50	20	AIGD	
CC(C)(CCl)CC1(C)CCCC1	306308870	RKRNVMJVDLXWIK-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CCCC[C@H](CCl)CC(C)C	85044434	AJGPUHRERPKAQH-JTQLQIEISA-N	176.731	4.078	50	20	AIGD	
CC(C)[C@@H](CCl)CCC(C)(C)C	85044979	ADCIKAGSAFWHJT-SNVBAGLBSA-N	190.758	4.324	50	20	AIGD	
CCC[C@H](CCl)C[C@H](C)CCC	85044658	PKZGZHHKOAZBMV-MNOVXSKESA-N	190.758	4.468	50	20	AIGD	
CCC[C@H](C)C[C@@H](CCl)CCC	85044659	PKZGZHHKOAZBMV-QWRGUYRKSA-N	190.758	4.468	50	20	AIGD	
CC[C@@H](CCl)C1CCCCCC1	130023153	NBPNBCKRQZDKDP-JTQLQIEISA-N	188.742	4.222	50	20	AIGD	
CCC[C@@H](C)C[C@](C)(CC)CCl	85044209	CXPCTIMTTJNSAL-MNOVXSKESA-N	190.758	4.468	50	20	AIGD	
CCC(CC)(CCl)CC(C)C	85043842	CMLUYGBWZYHZAL-UHFFFAOYSA-N	176.731	4.078	50	20	AIGD	
CCCCC[C@H](CCl)CCC	85044742	XCUQACNJYLSDFO-SNVBAGLBSA-N	176.731	4.222	50	20	AIGD	
C[C@H](CCl)C[C@H]1CCC[C@H](C)C1	251844463	OLTBLMZJDZQSOR-DCAQKATOSA-N	188.742	4.078	50	20	AIGD	
CCC[C@@H](CCl)CC1CCCC1	85044671	UMQIFMAGWGZOPC-LLVKDONJSA-N	188.742	4.222	50	20	AIGD	
C[C@H](CCl)C[C@H]1CCC[C@@H](C)C1	217406409	OLTBLMZJDZQSOR-VWYCJHECSA-N	188.742	4.078	50	20	AIGD	
CC[C@H](C)C[C@H](CCl)CC(C)C	85044595	KXBUBGSBRAUMPX-WDEREUQCSA-N	190.758	4.324	50	20	AIGD	
C[C@H](CCl)C[C@@H]1CCC[C@@H](C)C1	217406319	OLTBLMZJDZQSOR-OUAUKWLOSA-N	188.742	4.078	50	20	AIGD	
CCC[C@@H](C)C[C@@](C)(CC)CCl	85044207	CXPCTIMTTJNSAL-GHMZBOCLSA-N	190.758	4.468	50	20	AIGD	
CC[C@](C)(CCl)CCC(C)(C)C	85044299	RCSCTSRMNYWODR-NSHDSACASA-N	190.758	4.468	50	20	AIGD	
CC(C)CCC1(CCl)CCCC1	85043488	KMSLIWLDIAXEHZ-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CCCCC1CCC(CCl)CC1	57385881	JKMAQQDONXMCAB-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CC(C)(CCl)CC1CCCCC1	203502673	OXVSBICBXXJGJD-UHFFFAOYSA-N	188.742	4.222	50	20	AIGD	
CC(C)(C)CCC(C)(C)CCl	85042795	ASMBGTMFUOBUCA-UHFFFAOYSA-N	176.731	4.078	50	20	AIGD	
CCC[C@@](C)(CCl)C[C@@H](C)CC	85043713	OFQCGLUSGSYHMK-WDEREUQCSA-N	190.758	4.468	50	20	AIGD	
CCCCCC1(CCl)CCCC1	85043489	YZQVNFHLQSJQHL-UHFFFAOYSA-N	188.742	4.366	50	20	AIGD	
CCC[C@@H](C)C[C@@H](CC)CCl	85045126	LGDMNBTZSKBULP-NXEZZACHSA-N	176.731	4.078	50	20	AIGD	
CC[C@@H](Cl)c1cccc(Cl)c1	57332757	KPBFMCRHWUEOPC-SECBINFHSA-N	189.085	4.030	50	20	AIGD	
CC[C@H](C)CC1(CCl)CCCC1	85043531	NOLKXWKOZBOOQV-JTQLQIEISA-N	188.742	4.222	50	20	AIGD	
CCC[C@H](CCl)CCC(C)(C)C	85044746	VMHUHPNKBAQRFP-JTQLQIEISA-N	190.758	4.468	50	20	AIGD	
CCC[C@H](C)C[C@H](CC)CCl	85045129	LGDMNBTZSKBULP-UWVGGRQHSA-N	176.731	4.078	50	20	AIGD	
CCCC[C@](C)(CCl)CCC	85043548	NGUJZDIXGCBTFR-SNVBAGLBSA-N	176.731	4.222	50	20	AIGD	
CC[C@@H](CCl)CCC(C)(C)C	85045227	KHBQIIIRQSWQGY-SECBINFHSA-N	176.731	4.078	50	20	AIGD