smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](C1=CC=CC1=P(=C1C=CC=C1)c1ccccc1)N(C)C 328579000 GRTHELZKYWJGAW-INIZCTEOSA-N 307.377 3.711 70 50 DHIA O=S(=O)(F)CCNc1ccc(N=Nc2ccccc2)cc1 254817569 ZCOSYTPMOHUPJC-UHFFFAOYSA-N 307.350 3.813 70 50 DHIA CN(Cc1cscn1)c1ncc(Cl)cc1Br 159778999 OMTIDKVPOXISQY-UHFFFAOYSA-N 318.627 3.590 70 50 DHIA O=C(Cn1ccc2ccccc21)N1CCCC[C@H]1c1cccnc1 217953176 MKJBJQDCXAOXJH-IBGZPJMESA-N 319.408 3.790 70 50 DHIA biogenic O=C(c1cccc2cccnc12)N1CCC(c2ccncc2)CC1 218302592 UBAMXBBPVGYPIO-UHFFFAOYSA-N 317.392 3.650 70 50 DHIA O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1cccnc1 218022634 ZNUOHFQDYXXNEK-IBGZPJMESA-N 319.408 3.859 70 50 DHIA biogenic CCc1ccc(-c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)o2)cc1 159672595 IVCZEBXBBLBREQ-UHFFFAOYSA-N 322.364 3.758 70 50 DHIA C[C@H](C1=CC=CC1=P(=C1C=CC=C1)c1ccccc1)N(C)C 328579001 GRTHELZKYWJGAW-MRXNPFEDSA-N 307.377 3.711 70 50 DHIA Cc1ccsc1CN(C)Cc1cnc(N2CCCC2)s1 218437293 JMTSPSPUJFWMHG-UHFFFAOYSA-N 307.488 3.745 70 50 DHIA O=S(=O)(Cl)c1cc(Cl)cc(OC(F)F)c1Cl 263623927 LWUNAZUUESQNQF-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1sc(Cl)nc1C(=O)Nc1cc(F)c(F)c(F)c1 218304675 OBIQVWAFMVAKEC-UHFFFAOYSA-N 306.696 3.775 70 50 DHIA CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)C[C@@H](C)C1CCNCC1 159493584 JOTVAHQQQMFYDR-NUJGCVRESA-N 308.510 3.685 70 50 DHIA CCCOc1ccccc1C(=O)N(Cc1ccncc1)C1CC1 218087155 IRQCSQLKIKFBSK-UHFFFAOYSA-N 310.397 3.675 70 50 DHIA Cc1ccc(S(=O)(=O)Cl)cc1/C=C/C(=O)c1ccccc1 95697894 HJRUQJKGVFHZFM-CSKARUKUSA-N 320.797 3.819 70 50 DHIA Cc1sc(Cl)nc1C(=O)Nc1ccc(F)c(F)c1F 218372066 HZGQILYJOKUIFE-UHFFFAOYSA-N 306.696 3.775 70 50 DHIA Cc1nc(NC(=O)C2(c3ccccc3)CCC2)cc(C2CC2)n1 160059414 RWLMLCWZOHUKOZ-UHFFFAOYSA-N 307.397 3.723 70 50 DHIA Cc1ccc([C@@]2(C(=O)NCc3ccncc3C)CC2(C)C)cc1 218201906 AHOKJNVSSCILMF-HXUWFJFHSA-N 308.425 3.683 70 50 DHIA O=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H](O)C1 218721482 NOIJEMGAJDFBCM-OALUTQOASA-N 309.409 3.521 70 50 DHIA Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCC2 218129538 AJBGUZHCDNXEOD-UHFFFAOYSA-N 313.835 3.693 70 50 DHIA O=S(=O)(Cl)c1ccc(Cl)c(Br)c1Cl 100557056 KDSCCBGEIBGKMY-UHFFFAOYSA-N 324.410 3.683 70 50 DHIA CC[C@@H](NC(=O)CSCc1ccccc1C)c1cccnc1 218570725 IPAGLZLNNAKOLZ-QGZVFWFLSA-N 314.454 3.891 70 50 DHIA C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1 159792343 JVYRGVOGBLPWBC-MRVPVSSYSA-N 319.277 3.568 70 50 DHIA CC(C)(C)c1ccc(S(=O)(=O)Cl)c(Br)c1 100507987 QEVSESBFSRTADZ-UHFFFAOYSA-N 311.628 3.674 70 50 DHIA Cn1cc(C(=O)N2CCCC[C@H]2c2ccccn2)c2ccccc21 217002002 LJROCTPYTRUNQN-IBGZPJMESA-N 319.408 3.941 70 50 DHIA Cc1sc(Cl)nc1C(=O)Nc1nc2ccccc2s1 218126620 ICTFCPLDCQOAMF-UHFFFAOYSA-N 309.803 3.967 70 50 DHIA Cc1ccccc1-c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 217671408 GMYDQFFDXBCIFO-LJQANCHMSA-N 320.436 3.582 70 50 DHIA c1csc(B(Oc2cccc3cccnc23)c2cccs2)c1 169872369 SIZJULRHNZKSCY-UHFFFAOYSA-N 321.235 3.543 70 50 DHIA CC1(C)CCC(C(=O)NCc2nc(C(F)(F)F)cs2)CC1 160624205 QAOWWCJIEHYETO-UHFFFAOYSA-N 320.380 3.995 70 50 DHIA CC[C@@H](NC(=O)c1cccc(-c2ccco2)c1)c1nc(C)c[nH]1 217558193 NLPPCOQZCCUWEK-OAHLLOKOSA-N 309.369 3.859 70 50 DHIA O=C(Cc1cccs1)N1CCCC[C@H]1CCc1ccccn1 218052876 VRKKOCHWINLTKQ-INIZCTEOSA-N 314.454 3.700 70 50 DHIA O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1OC(F)F 263624153 NWLDTPOLHSNGFJ-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA O=C(c1ccncc1F)N1CC[C@H](c2cccc(Cl)c2)C1 218464957 QAYJANOLWFGIPB-LBPRGKRZSA-N 304.752 3.504 70 50 DHIA CC[C@@H](NC(=O)c1cccc(-c2ccc(C)o2)c1)[C@H]1C[C@H](O)C1 218107216 KITGHKHEPYGNMW-IXDOHACOSA-N 313.397 3.534 70 50 DHIA CC(C)c1cc(CNC(=O)c2cccc(-c3ccco3)c2)on1 218669032 GWGQNCHDNKFQKA-UHFFFAOYSA-N 310.353 3.988 70 50 DHIA Cn1ccc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cccc21 218113686 NUJOAJJIMYJXCI-SFHVURJKSA-N 319.408 3.941 70 50 DHIA biogenic O=C(CCCOc1ccccc1)N1CCCC[C@H]1c1ccccn1 217151455 MDYFSQSAJYBKMB-IBGZPJMESA-N 324.424 3.994 70 50 DHIA Cc1cc2c(c(=O)o1)[C@@H](c1cccc3ccccc13)CC(=O)O2 218113585 RDVMVRQYUGXOFD-OAHLLOKOSA-N 306.317 3.542 70 50 DHIA biogenic O[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(-c3cccc(Cl)c3)o1)C2 216934693 PWOCOICDOJOPLM-UOIKSKOESA-N 317.816 3.803 70 50 DHIA O=C(CCCc1cccs1)NC[C@@H]1OCCc2ccccc21 217097598 RUDJPSBBSIBSNM-KRWDZBQOSA-N 315.438 3.501 70 50 DHIA O=C(CSc1ccncc1)N1CC[C@H](C2CCCCC2)C1 218464446 PCSZFFQDPKYCRK-HNNXBMFYSA-N 304.459 3.603 70 50 DHIA Cc1ccc(F)c(NC(=O)c2csc([C@@H]3CCCO3)n2)c1 160628663 DXXNDKRWLMBJJM-ZDUSSCGKSA-N 306.362 3.694 70 50 DHIA Cn1cc(C(=O)N2CCCC[C@@H]2c2ccccn2)c2ccccc21 217001991 LJROCTPYTRUNQN-LJQANCHMSA-N 319.408 3.941 70 50 DHIA Cc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)c(F)c1 160623566 XQCDBYVEEDRBGW-CYBMUJFWSA-N 306.362 3.694 70 50 DHIA O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 59796720 BTRCVKADYDVSLI-UHFFFAOYSA-N 312.618 3.652 70 50 DHIA in-vitro CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(F)c2)n1 160957204 BWJOFDWZKJWMND-UHFFFAOYSA-N 324.359 3.734 70 50 DHIA CN(Cc1nccs1)C(=O)[C@]1(c2cccs2)CC1(C)C 217831399 XHDDJZPEIDMGQS-OAHLLOKOSA-N 306.456 3.531 70 50 DHIA Cc1ncsc1CCCNC(=O)C12CC3CC(CC(C3)C1)C2 218664227 ZYLGCHKIFZDLJQ-UHFFFAOYSA-N 318.486 3.717 70 50 DHIA Cc1csc(C2(NC(=O)CCCn3cccc3)CCCC2)n1 159516176 CDVCDUFHGGYOFR-UHFFFAOYSA-N 317.458 3.619 70 50 DHIA O=C(CCl)N(Cc1ccccc1F)C1Cc2ccccc2C1 165061651 YSZVUJPKGOGIPO-UHFFFAOYSA-N 317.791 3.561 70 50 DHIA Cc1ccc(CN(C(=O)c2nn(C)c(C)c2Cl)C2CC2)s1 217204874 LPMDFJGMODLQJS-UHFFFAOYSA-N 323.849 3.557 70 50 DHIA CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C 218298710 OKYYLFYUULRFKV-GOSISDBHSA-N 323.440 3.871 70 50 DHIA CCc1nnc(CNC(=O)c2ccccc2-c2ccccc2)s1 218616322 KLFHOVZXFCMDQK-UHFFFAOYSA-N 323.421 3.698 70 50 DHIA O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F 95676715 KMEJLLXSUGLEDJ-UHFFFAOYSA-N 312.618 3.652 70 50 DHIA in-vitro O=C(CSc1ccncc1)N1CC[C@@H](C2CCCCC2)C1 218464370 PCSZFFQDPKYCRK-OAHLLOKOSA-N 304.459 3.603 70 50 DHIA [N-]=[N+]=NC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 16080828 HFXVFCQINYERLI-UHFFFAOYSA-N 323.139 3.654 70 50 DHIA O=C(CCC1CCCC1)N(Cc1ccncc1)C[C@H]1CCCO1 218275077 ZYYMWVIKZCXOCS-GOSISDBHSA-N 316.445 3.560 70 50 DHIA CSCc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)o1 217871921 RCLLXLARACKJIC-OAHLLOKOSA-N 316.426 3.905 70 50 DHIA CC[C@H](NC(=O)CSCc1ccccc1C)c1cccnc1 218570814 IPAGLZLNNAKOLZ-KRWDZBQOSA-N 314.454 3.891 70 50 DHIA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CC(C)C 217878509 NOGLXKGDXJJLCC-MRXNPFEDSA-N 300.402 3.716 70 50 DHIA biogenic O=C(NCc1cc(C2CC2)on1)c1ccc(-c2ccco2)cc1 218283470 BXHQPGFSGQXUGE-UHFFFAOYSA-N 308.337 3.742 70 50 DHIA Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CCCc2ccccc21 159729376 MMHAZVMXKALEIZ-HNNXBMFYSA-N 311.429 3.691 70 50 DHIA Cc1nc(NC(=O)c2cc(C(C)C)on2)ccc1Br 159848376 BLIZMEFFPRHYQJ-UHFFFAOYSA-N 324.178 3.516 70 50 DHIA O=C(c1ccncc1F)N1CC[C@@H](c2cccc(Cl)c2)C1 218464898 QAYJANOLWFGIPB-GFCCVEGCSA-N 304.752 3.504 70 50 DHIA O=S(=O)(Cl)c1cccc2c(Br)cccc12 100731314 UAZSFANIUINLSN-UHFFFAOYSA-N 305.580 3.530 70 50 DHIA CCCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 95698313 ZYWSRQWFHZXWGL-UHFFFAOYSA-N 311.790 3.506 70 50 DHIA C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1 159792206 JVYRGVOGBLPWBC-QMMMGPOBSA-N 319.277 3.568 70 50 DHIA O=C(CCCc1cccs1)NC[C@H]1OCCc2ccccc21 217097618 RUDJPSBBSIBSNM-QGZVFWFLSA-N 315.438 3.501 70 50 DHIA Cc1cc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)on1 217080334 CEXZFCNXCQAJRN-UHFFFAOYSA-N 318.376 3.754 70 50 DHIA Clc1ccccc1OCCn1nc(C2CC2)nc1C1CC1 161431763 JLKUAYCHKIHFBX-UHFFFAOYSA-N 303.793 3.765 70 50 DHIA O=S(=O)(Oc1ccc2c(c1)[nH]c1ccccc12)C(F)(F)F 100301111 DTBYYTIINYTKPV-UHFFFAOYSA-N 315.272 3.550 70 50 DHIA O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)F 263622810 BCKPXZLGMUQBGE-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA CN(CC1(CO)CCCC1)C(=O)c1cccc(-c2ccccc2)c1 218690547 AJMDDVAZWRQPNT-UHFFFAOYSA-N 323.436 3.978 70 50 DHIA CN(Cc1nccs1)C(=O)[C@@]1(c2cccs2)CC1(C)C 217831303 XHDDJZPEIDMGQS-HNNXBMFYSA-N 306.456 3.531 70 50 DHIA O=S(=O)(Cl)c1cc(Cl)c(Br)c(Cl)c1 100508082 BUJMSSMOHUYYJH-UHFFFAOYSA-N 324.410 3.683 70 50 DHIA O=C(CCCOc1ccccc1)N1CCCC[C@@H]1c1ccccn1 217151446 MDYFSQSAJYBKMB-LJQANCHMSA-N 324.424 3.994 70 50 DHIA CN(C)C[C@H]1[C@@H]2CN(Cc3ccc(-c4ccccc4)s3)C[C@H]12 217081784 VDMYFLOEGFFRKH-NNZMDNLPSA-N 312.482 3.655 70 50 DHIA CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc23)cs1 218442529 VBXUQPUQYGLOQT-UHFFFAOYSA-N 314.414 3.945 70 50 DHIA CCCC[C@H](NC(=O)c1csc(SC)n1)c1cccnc1 218359316 LYBXJBXSEMASJA-LBPRGKRZSA-N 321.471 3.921 70 50 DHIA O=C(NCCc1ccncc1)[C@]1(c2ccccc2)CC12CCCC2 216917151 BPRWIZQQZNBZSI-OAQYLSRUSA-N 320.436 3.642 70 50 DHIA O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1OC(F)F 263623268 GBFRUNNUBYDJMZ-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1ccccc1-c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 217671501 GMYDQFFDXBCIFO-IBGZPJMESA-N 320.436 3.582 70 50 DHIA O=S(=O)(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F 100541875 RJFYGCJTUUXOOF-UHFFFAOYSA-N 302.273 3.582 70 50 DHIA Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2ccccn2)cc1C 217342945 RBXHAJDRZPPRDE-LJQANCHMSA-N 324.424 3.831 70 50 DHIA CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCOC(C)(C)C1 218669767 JBHHKTBHDGBLRV-OAHLLOKOSA-N 313.397 3.575 70 50 DHIA CC[C@H](NC(=O)c1cccc(-c2ccc(C)o2)c1)[C@H]1C[C@H](O)C1 218107289 KITGHKHEPYGNMW-BBWFWOEESA-N 313.397 3.534 70 50 DHIA COc1ccc2[nH]c(C(=O)N3C[C@H]4CC=C(C)C[C@H]4C3)cc2c1 218661247 IYCMZUTVKRPSIA-HIFRSBDPSA-N 310.397 3.605 70 50 DHIA Cn1c(C(=O)N2CCCC[C@H]2c2cccnc2)cc2ccccc21 218104682 VPERJGFZQKPZFE-SFHVURJKSA-N 319.408 3.941 70 50 DHIA biogenic O=S(=O)(Cl)c1cc(Cl)c(Cl)c(OC(F)F)c1 263625030 WDXZXLMAUUFBAS-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA CC(C)(C)c1ccc2c(S(=O)(=O)Cl)c(C#N)sc2c1 725343983 BOXJKMJXQYHQSV-UHFFFAOYSA-N 313.831 3.998 70 50 DHIA O=S(=O)(Cl)c1c(Cl)ccc(Cl)c1OC(F)F 263623909 LTBYJSFDDCUNSD-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA O=C(CCc1ccc(F)c(F)c1)N(Cc1nccs1)C1CC1 218264791 QBFDHBNHDDQNOI-UHFFFAOYSA-N 322.380 3.545 70 50 DHIA CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCOC(C)(C)C1 218669848 JBHHKTBHDGBLRV-HNNXBMFYSA-N 313.397 3.575 70 50 DHIA Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccncc1 160004834 SNRMSENCPITDNJ-AWEZNQCLSA-N 300.427 3.529 70 50 DHIA O=S(=O)(Cl)c1ccc(Cl)c(OC(F)F)c1Cl 263624363 PTFKWYSHCLQWOK-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA O=S(=O)(Cl)c1cc(OC(F)F)c(Cl)cc1Cl 263623417 HHNVHMXHWOXLRV-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA CCCC[C@@H](NC(=O)c1csc(SC)n1)c1cccnc1 218359254 LYBXJBXSEMASJA-GFCCVEGCSA-N 321.471 3.921 70 50 DHIA O=S(=O)(Cl)c1cc(OC(F)F)cc(Cl)c1Cl 263625041 WFSYZJBIKXALDY-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1cc2c(c(=O)o1)[C@H](c1cccc3ccccc13)CC(=O)O2 218113518 RDVMVRQYUGXOFD-HNNXBMFYSA-N 306.317 3.542 70 50 DHIA biogenic CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccccc1)CC(=O)O3 217702650 AYLIUBXMQLJBSV-AWEZNQCLSA-N 322.360 3.871 70 50 DHIA biogenic O=S(=O)(Cl)c1c(Cl)ccc(OC(F)F)c1Cl 263624387 PZFKVNWUUFDCCG-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1ccccc1SCC(=O)N(C)CCc1scnc1C 216984573 XAFCODGOIORQAA-UHFFFAOYSA-N 320.483 3.553 70 50 DHIA CCN(CC1CCOCC1)C(=O)CCCCc1ccccc1 218082276 MNNBHUUVYUKOKY-UHFFFAOYSA-N 303.446 3.675 70 50 DHIA Cc1noc(C)c1CN(C)C(=O)c1scc2c1CCCC2 218376769 JHFHUKXWWXRWMM-UHFFFAOYSA-N 304.415 3.504 70 50 DHIA O=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl 95707765 MRGIKDMKHORAMU-UHFFFAOYSA-N 313.511 3.940 70 50 DHIA in-vitro O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2cc[nH]c2c1 218429705 YQUUNEANRQJSKW-UHFFFAOYSA-N 323.396 3.504 70 50 DHIA O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 100009551 AEMGSQVSVDUWQG-UHFFFAOYSA-N 306.161 3.740 70 50 DHIA Cc1cc(CNC(=O)[C@H](C)SCc2ccc(Cl)cc2)on1 217422599 RMJXMQOMODDLMA-NSHDSACASA-N 324.833 3.575 70 50 DHIA O=C(CC1(n2cccc2)CCOCC1)Nc1cccc2[nH]ccc12 218264674 LSFGAFBPOKBVCZ-UHFFFAOYSA-N 323.396 3.504 70 50 DHIA CSCc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)o1 217872004 RCLLXLARACKJIC-HNNXBMFYSA-N 316.426 3.905 70 50 DHIA O=S(=O)(Cl)c1c(Cl)cc(Br)cc1Cl 95707670 CKJIKXAPXLPSCL-UHFFFAOYSA-N 324.410 3.683 70 50 DHIA in-vitro CC(C)(C)c1csc(-c2ccc(OS(=O)(=O)F)cc2)n1 1875368373 MOHLCFIFXVQTNW-UHFFFAOYSA-N 315.391 3.701 70 50 DHIA Cc1cc(CNC(=O)[C@@H](C)SCc2ccc(Cl)cc2)on1 217422514 RMJXMQOMODDLMA-LLVKDONJSA-N 324.833 3.575 70 50 DHIA CC(=O)c1ccc(F)cc1C[C@@H]1CC(=O)N(c2ccccc2)C1 218740991 PJRLNDCXVQPQOB-CQSZACIVSA-N 311.356 3.624 70 50 DHIA Cc1ccc(F)c(NC(=O)c2csc([C@H]3CCCO3)n2)c1 160628805 DXXNDKRWLMBJJM-CYBMUJFWSA-N 306.362 3.694 70 50 DHIA O=C(Cl)c1cc(S(=O)(=O)F)c2ccccc2c1Cl 101016832 QRPXRRNNUZOWGH-UHFFFAOYSA-N 307.129 3.530 70 50 DHIA CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)C[C@@H](C)C1CCNCC1 159493304 JOTVAHQQQMFYDR-JFIYKMOQSA-N 308.510 3.685 70 50 DHIA CC(C)C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C 218376175 JOITUSJLGMWQAH-AWEZNQCLSA-N 311.385 3.684 70 50 DHIA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1nccc2ccccc12 160674416 SBPLKXAFRDBMDW-MRXNPFEDSA-N 324.424 3.847 70 50 DHIA Cc1ccc(CCNC(=O)c2ccccc2N2CCCC2)s1 218071114 YDIQITWGKMLRFA-UHFFFAOYSA-N 314.454 3.629 70 50 DHIA Clc1cccc(OCCn2nc(C3CC3)nc2C2CC2)c1 161494939 UXEPYQOHMLYTAZ-UHFFFAOYSA-N 303.793 3.765 70 50 DHIA CC[C@H](NC(=O)c1cccc(-c2ccco2)c1)c1nc(C)c[nH]1 217558266 NLPPCOQZCCUWEK-HNNXBMFYSA-N 309.369 3.859 70 50 DHIA CSc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 217924025 JLMYQVRUWSUFFN-LBPRGKRZSA-N 314.362 3.578 70 50 DHIA biogenic O=S(=O)(Cl)c1ccc(Br)c2ccccc12 95698344 MNBFYZPSEJKTFA-UHFFFAOYSA-N 305.580 3.530 70 50 DHIA O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Br 95707668 FWBOGDGDIZUVFT-UHFFFAOYSA-N 324.410 3.683 70 50 DHIA Cc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 159842010 AQERNFCBTLEEAB-UHFFFAOYSA-N 314.772 3.785 70 50 DHIA O=S(=O)(Cl)c1ccc(Br)c(Cl)c1Cl 100503114 HRFCMISMANHTAH-UHFFFAOYSA-N 324.410 3.683 70 50 DHIA in-vitro O=C(CCC1CCCC1)N(Cc1ccncc1)C[C@@H]1CCCO1 218275032 ZYYMWVIKZCXOCS-SFHVURJKSA-N 316.445 3.560 70 50 DHIA Cc1nnc(-c2cccc(CC[C@H]3COc4ccccc4O3)c2)o1 218193756 XSOBLQSCXIQCHD-INIZCTEOSA-N 322.364 3.818 70 50 DHIA CC[Si](CC)(CC)[Si]([SiH](C)C)([SiH](C)C)[SiH](C)C 169817766 VEZOAVMRSZWDTE-UHFFFAOYSA-N 320.850 3.717 70 50 DHIA Cc1ccc(OCC(=O)N2CCCC[C@H]2c2ccccn2)cc1C 217343029 RBXHAJDRZPPRDE-IBGZPJMESA-N 324.424 3.831 70 50 DHIA O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1OC(F)F 263624537 RJCOQKJBDNVRMF-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1CCCc2ccccc21 159729527 MMHAZVMXKALEIZ-OAHLLOKOSA-N 311.429 3.691 70 50 DHIA O=S(=O)(Cl)c1c(OC(F)F)ccc(Cl)c1Cl 263623762 KNJMSFFTXKGBOD-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA CC(C)C[C@@H]1CN(C(=O)c2ccc3occc3c2)CC[C@]1(C)O 216988756 PUEHXDNYVKKUDQ-APWZRJJASA-N 315.413 3.692 70 50 DHIA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CC(C)C 217878430 NOGLXKGDXJJLCC-INIZCTEOSA-N 300.402 3.716 70 50 DHIA biogenic NC1CC(c2cc(NCc3c(Cl)cccc3Cl)ncn2)C1 218653976 JMVPPSBKFVJWIC-UHFFFAOYSA-N 323.227 3.600 70 50 DHIA CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cc(C)sc1C 159746014 XCWBRQLAXFZNFR-CQSZACIVSA-N 324.471 3.532 70 50 DHIA O=C(NCCc1ccncc1)[C@@]1(c2ccccc2)CC12CCCC2 216917125 BPRWIZQQZNBZSI-NRFANRHFSA-N 320.436 3.642 70 50 DHIA COC(=O)COc1ccc2occ(-c3ccc(OC)cc3)c2c1 217755192 XGZDACNEUYHPKP-UHFFFAOYSA-N 312.321 3.660 70 50 DHIA biogenic O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1Cl 100554889 CCJHCRADJWLIND-UHFFFAOYSA-N 313.511 3.940 70 50 DHIA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1nccc2ccccc12 160674544 SBPLKXAFRDBMDW-INIZCTEOSA-N 324.424 3.847 70 50 DHIA O=S(=O)(Cl)c1c(Cl)cc(OC(F)F)cc1Cl 263622927 CEGFMMNSJFATNI-UHFFFAOYSA-N 311.520 3.522 70 50 DHIA Cc1ccc([C@]2(C(=O)NCc3ccncc3C)CC2(C)C)cc1 218201978 AHOKJNVSSCILMF-FQEVSTJZSA-N 308.425 3.683 70 50 DHIA O=C(Cc1cccs1)N1CCCC[C@@H]1CCc1ccccn1 218052802 VRKKOCHWINLTKQ-MRXNPFEDSA-N 314.454 3.700 70 50 DHIA CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cc(C)sc1C 159745892 XCWBRQLAXFZNFR-AWEZNQCLSA-N 324.471 3.532 70 50 DHIA Cc1nnc(-c2cccc(CC[C@@H]3COc4ccccc4O3)c2)o1 218193667 XSOBLQSCXIQCHD-MRXNPFEDSA-N 322.364 3.818 70 50 DHIA O=C(c1cccc(-c2ncn[nH]2)c1)N(CC1CCCCC1)C1CC1 161397301 UXTUQBDPNKEQEB-UHFFFAOYSA-N 324.428 3.657 70 50 DHIA Cc1c(C)c(S(=O)(=O)Cl)c(C)c2c1OC(C)(C)CC2 100033318 UXUOVYKDMGFUDU-UHFFFAOYSA-N 302.823 3.643 70 50 DHIA Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccncc1 160004691 SNRMSENCPITDNJ-CQSZACIVSA-N 300.427 3.529 70 50 DHIA CC(=O)c1ccc(F)cc1C[C@H]1CC(=O)N(c2ccccc2)C1 218741054 PJRLNDCXVQPQOB-AWEZNQCLSA-N 311.356 3.624 70 50 DHIA Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c(F)c1 160623450 XQCDBYVEEDRBGW-ZDUSSCGKSA-N 306.362 3.694 70 50 DHIA COC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 218485265 QODOREIRZMTYHU-WOJBJXKFSA-N 323.436 3.827 70 50 DHIA O=C(/C=C/c1ccc(S(=O)(=O)Cl)cc1)c1ccccc1 95697853 QJOPDPKVYXDCAE-DHZHZOJOSA-N 306.770 3.510 70 50 DHIA O=C([C@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1 160239110 HASVYNFQNLFDMX-OAHLLOKOSA-N 311.784 3.539 70 50 DHIA Cc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)Cl 95697895 NDNSNGKWRRASNV-MDZDMXLPSA-N 320.797 3.819 70 50 DHIA CSc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 217924101 JLMYQVRUWSUFFN-GFCCVEGCSA-N 314.362 3.578 70 50 DHIA biogenic Cc1c(C(=O)N2CCC[C@@H]2C2CCCC2)cnn1CC(C)C 160981299 KUZTVNJTFZBHTF-QGZVFWFLSA-N 303.450 3.642 70 50 DHIA CC[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C 218298751 OKYYLFYUULRFKV-SFHVURJKSA-N 323.440 3.871 70 50 DHIA c1ccc(CCC[SiH](c2ccccc2)c2ccccc2)cc1 169817823 JXAKKWNQBKMMPU-UHFFFAOYSA-N 302.493 3.661 70 50 DHIA O=C(NCc1ccco1)c1sc(Cl)nc1-c1ccccc1 218446442 FIJDKBCQYRAGMD-UHFFFAOYSA-N 318.785 3.987 70 50 DHIA Cc1c(C(=O)N2CCC[C@H]2C2CCCC2)cnn1CC(C)C 160981404 KUZTVNJTFZBHTF-KRWDZBQOSA-N 303.450 3.642 70 50 DHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccccc1)CC(=O)O3 217702725 AYLIUBXMQLJBSV-CQSZACIVSA-N 322.360 3.871 70 50 DHIA biogenic Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccon2)ccc1F 217004405 UZANBFFXBRJODY-QDMKHBRRSA-N 314.360 3.673 70 50 DHIA