smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159362771 327175493 /nfs/dbraw/zinc/17/54/93/327175493.db2.gz ICOHISQISSLIDS-IFXJQAMLSA-N 0 3 298.405 4.803 20 70 CJIDHN C[C@@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159362901 327175539 /nfs/dbraw/zinc/17/55/39/327175539.db2.gz ICOHISQISSLIDS-AUUYWEPGSA-N 0 3 298.405 4.803 20 70 CJIDHN C[C@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159363041 327175520 /nfs/dbraw/zinc/17/55/20/327175520.db2.gz ICOHISQISSLIDS-LIRRHRJNSA-N 0 3 298.405 4.803 20 70 CJIDHN C[C@@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159363198 327174761 /nfs/dbraw/zinc/17/47/61/327174761.db2.gz ICOHISQISSLIDS-KUHUBIRLSA-N 0 3 298.405 4.803 20 70 CJIDHN c1oc2ccccc2c1CN[C@@H](c1ccccc1)C1CC1 ZINC000159810459 330851773 /nfs/dbraw/zinc/85/17/73/330851773.db2.gz MNHVHCPEWPQCGG-IBGZPJMESA-N 0 3 277.367 4.674 20 70 CJIDHN c1oc2ccccc2c1CN[C@H](c1ccccc1)C1CC1 ZINC000159810599 330851689 /nfs/dbraw/zinc/85/16/89/330851689.db2.gz MNHVHCPEWPQCGG-LJQANCHMSA-N 0 3 277.367 4.674 20 70 CJIDHN c1cc2c(s1)CCC[C@@H]2NCc1coc2ccccc12 ZINC000159822907 330851885 /nfs/dbraw/zinc/85/18/85/330851885.db2.gz VEXLYAKVKWKGHS-HNNXBMFYSA-N 0 3 283.396 4.662 20 70 CJIDHN CC1(NCc2ccc(-c3nc4ccccc4s3)o2)CCC1 ZINC000159917559 327578432 /nfs/dbraw/zinc/57/84/32/327578432.db2.gz JKDYKZPFASSSIZ-UHFFFAOYSA-N 0 3 298.411 4.589 20 70 CJIDHN Cc1cccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1 ZINC000160134986 327595932 /nfs/dbraw/zinc/59/59/32/327595932.db2.gz AFERMANRTFEVGX-CXAGYDPISA-N 0 3 271.429 4.858 20 70 CJIDHN Cc1cccc([C@@H](C)N[C@H](c2cccs2)C2CC2)c1 ZINC000160135118 327595945 /nfs/dbraw/zinc/59/59/45/327595945.db2.gz AFERMANRTFEVGX-DYVFJYSZSA-N 0 3 271.429 4.858 20 70 CJIDHN CSc1ccc(CN[C@H](C)c2cccc(C)c2)cc1 ZINC000160139103 327596207 /nfs/dbraw/zinc/59/62/07/327596207.db2.gz DZKJPPUOCDAQOJ-CQSZACIVSA-N 0 3 271.429 4.568 20 70 CJIDHN Cc1cccc([C@H](C)N[C@@H](c2cccs2)C2CC2)c1 ZINC000160180683 327599055 /nfs/dbraw/zinc/59/90/55/327599055.db2.gz AFERMANRTFEVGX-SUMWQHHRSA-N 0 3 271.429 4.858 20 70 CJIDHN Cc1cccc([C@H](C)N[C@H](c2cccs2)C2CC2)c1 ZINC000160180831 327599130 /nfs/dbraw/zinc/59/91/30/327599130.db2.gz AFERMANRTFEVGX-GUYCJALGSA-N 0 3 271.429 4.858 20 70 CJIDHN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000160298644 330862751 /nfs/dbraw/zinc/86/27/51/330862751.db2.gz PECYWLQUHDQKMN-KGLIPLIRSA-N 0 3 298.405 4.511 20 70 CJIDHN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000160298921 330862631 /nfs/dbraw/zinc/86/26/31/330862631.db2.gz PECYWLQUHDQKMN-ZIAGYGMSSA-N 0 3 298.405 4.511 20 70 CJIDHN CCc1ccc([C@@H](N[C@@H](C)c2cncs2)C(C)C)cc1 ZINC000160401187 330864669 /nfs/dbraw/zinc/86/46/69/330864669.db2.gz XZFLEJJKSFHYEZ-GUYCJALGSA-N 0 3 288.460 4.753 20 70 CJIDHN CCc1ccc([C@@H](N[C@H](C)c2cncs2)C(C)C)cc1 ZINC000160401408 328021083 /nfs/dbraw/zinc/02/10/83/328021083.db2.gz XZFLEJJKSFHYEZ-DYVFJYSZSA-N 0 3 288.460 4.753 20 70 CJIDHN CC(C)c1ccc([C@H](N[C@@H](C)c2cnn(C)c2)C(C)C)cc1 ZINC000160415721 327608350 /nfs/dbraw/zinc/60/83/50/327608350.db2.gz JTBINSVYVNSFOA-HNAYVOBHSA-N 0 3 299.462 4.591 20 70 CJIDHN CCC[C@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663230 261222666 /nfs/dbraw/zinc/22/26/66/261222666.db2.gz ICVNLWONECEGPC-PMACEKPBSA-N 0 3 297.442 4.631 20 70 CJIDHN CCC[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663342 261222532 /nfs/dbraw/zinc/22/25/32/261222532.db2.gz ICVNLWONECEGPC-UXHICEINSA-N 0 3 297.442 4.631 20 70 CJIDHN CCC[C@H](N[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663464 261222577 /nfs/dbraw/zinc/22/25/77/261222577.db2.gz ICVNLWONECEGPC-VQTJNVASSA-N 0 3 297.442 4.631 20 70 CJIDHN CCC[C@@H](N[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663589 261222151 /nfs/dbraw/zinc/22/21/51/261222151.db2.gz ICVNLWONECEGPC-WOJBJXKFSA-N 0 3 297.442 4.631 20 70 CJIDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3sccc31)CC2 ZINC000160824339 526211750 /nfs/dbraw/zinc/21/17/50/526211750.db2.gz MHYVBSLGQDFWFV-IAGOWNOFSA-N 0 3 283.440 4.711 20 70 CJIDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3sccc31)CC2 ZINC000160824471 526193735 /nfs/dbraw/zinc/19/37/35/526193735.db2.gz MHYVBSLGQDFWFV-SJORKVTESA-N 0 3 283.440 4.711 20 70 CJIDHN Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3sccc31)CC2 ZINC000160824602 526212281 /nfs/dbraw/zinc/21/22/81/526212281.db2.gz MHYVBSLGQDFWFV-DLBZAZTESA-N 0 3 283.440 4.711 20 70 CJIDHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3sccc31)CC2 ZINC000160824735 526193494 /nfs/dbraw/zinc/19/34/94/526193494.db2.gz MHYVBSLGQDFWFV-IRXDYDNUSA-N 0 3 283.440 4.711 20 70 CJIDHN CC[C@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000160836947 328087937 /nfs/dbraw/zinc/08/79/37/328087937.db2.gz AGVMGNVRWOMRIF-KRWDZBQOSA-N 0 3 282.362 4.548 20 70 CJIDHN CC[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000160837081 328087982 /nfs/dbraw/zinc/08/79/82/328087982.db2.gz AGVMGNVRWOMRIF-QGZVFWFLSA-N 0 3 282.362 4.548 20 70 CJIDHN Cc1ccc(CN[C@@H](C)c2sc(C(C)C)nc2C)s1 ZINC000160912059 261231250 /nfs/dbraw/zinc/23/12/50/261231250.db2.gz KPNAUUALEXTFNY-NSHDSACASA-N 0 3 294.489 4.796 20 70 CJIDHN Cc1ccc(CN[C@H](C)c2sc(C(C)C)nc2C)s1 ZINC000160912192 261230871 /nfs/dbraw/zinc/23/08/71/261230871.db2.gz KPNAUUALEXTFNY-LLVKDONJSA-N 0 3 294.489 4.796 20 70 CJIDHN CSc1ccc([C@H](C)NCc2ccc(C)s2)cc1F ZINC000160920348 328094724 /nfs/dbraw/zinc/09/47/24/328094724.db2.gz YVUSXLHUWQNZRW-NSHDSACASA-N 0 3 295.448 4.768 20 70 CJIDHN CSc1ccc([C@@H](C)NCc2ccc(C)s2)cc1F ZINC000160920478 328094708 /nfs/dbraw/zinc/09/47/08/328094708.db2.gz YVUSXLHUWQNZRW-LLVKDONJSA-N 0 3 295.448 4.768 20 70 CJIDHN Fc1cc(Cl)cc(CN[C@@H]2CCCc3sccc32)c1 ZINC000160932223 330880115 /nfs/dbraw/zinc/88/01/15/330880115.db2.gz RSHNZCOXMRTIRJ-CQSZACIVSA-N 0 3 295.810 4.708 20 70 CJIDHN Fc1cc(Cl)cc(CN[C@H]2CCCc3sccc32)c1 ZINC000160932351 526300499 /nfs/dbraw/zinc/30/04/99/526300499.db2.gz RSHNZCOXMRTIRJ-AWEZNQCLSA-N 0 3 295.810 4.708 20 70 CJIDHN c1oc2ccccc2c1CN[C@@H]1CCSc2ccccc21 ZINC000161085870 526628025 /nfs/dbraw/zinc/62/80/25/526628025.db2.gz ALIOEKHQRAVCHX-MRXNPFEDSA-N 0 3 295.407 4.760 20 70 CJIDHN c1oc2ccccc2c1CN[C@H]1CCSc2ccccc21 ZINC000161086008 526629443 /nfs/dbraw/zinc/62/94/43/526629443.db2.gz ALIOEKHQRAVCHX-INIZCTEOSA-N 0 3 295.407 4.760 20 70 CJIDHN Cc1ccc([C@@H](C)NCc2coc3ccccc23)c(C)c1 ZINC000161090665 260838646 /nfs/dbraw/zinc/83/86/46/260838646.db2.gz NGYGFESBVPUUAA-OAHLLOKOSA-N 0 3 279.383 4.900 20 70 CJIDHN CC(C)C[C@H](N[C@@H](C)c1cncs1)c1cccs1 ZINC000161376078 329929159 /nfs/dbraw/zinc/92/91/59/329929159.db2.gz WZVJAEXQZJWDEH-RYUDHWBXSA-N 0 3 280.462 4.643 20 70 CJIDHN CC(C)C[C@@H](N[C@@H](C)c1cncs1)c1cccs1 ZINC000161376204 329929186 /nfs/dbraw/zinc/92/91/86/329929186.db2.gz WZVJAEXQZJWDEH-NWDGAFQWSA-N 0 3 280.462 4.643 20 70 CJIDHN CC(C)C[C@@H](N[C@H](C)c1cncs1)c1cccs1 ZINC000161376456 517425642 /nfs/dbraw/zinc/42/56/42/517425642.db2.gz WZVJAEXQZJWDEH-VXGBXAGGSA-N 0 3 280.462 4.643 20 70 CJIDHN Cc1cc(C(C)(C)C)cc(C)c1CN[C@@H](C)c1cccnc1 ZINC000216727855 329299597 /nfs/dbraw/zinc/29/95/97/329299597.db2.gz CUCBMRKQAXJXOK-INIZCTEOSA-N 0 3 296.458 4.847 20 70 CJIDHN C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000217122705 329321600 /nfs/dbraw/zinc/32/16/00/329321600.db2.gz DONKCXYFZCFCLM-CQSZACIVSA-N 0 3 269.363 4.556 20 70 CJIDHN C[C@H](NC1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000217122717 329321551 /nfs/dbraw/zinc/32/15/51/329321551.db2.gz DONKCXYFZCFCLM-AWEZNQCLSA-N 0 3 269.363 4.556 20 70 CJIDHN C[C@@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218064078 333126246 /nfs/dbraw/zinc/12/62/46/333126246.db2.gz UDVSLCXDULVGPZ-GFCCVEGCSA-N 0 3 284.790 4.672 20 70 CJIDHN C[C@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218064161 333126273 /nfs/dbraw/zinc/12/62/73/333126273.db2.gz UDVSLCXDULVGPZ-LBPRGKRZSA-N 0 3 284.790 4.672 20 70 CJIDHN C[C@@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218064502 333126229 /nfs/dbraw/zinc/12/62/29/333126229.db2.gz NLXFFZPIJQJUGT-GFCCVEGCSA-N 0 3 284.790 4.672 20 70 CJIDHN C[C@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218064589 333126286 /nfs/dbraw/zinc/12/62/86/333126286.db2.gz NLXFFZPIJQJUGT-LBPRGKRZSA-N 0 3 284.790 4.672 20 70 CJIDHN CCc1ccc([C@@H](C)NCc2cccc3cc[nH]c32)cc1 ZINC000218065078 333126255 /nfs/dbraw/zinc/12/62/55/333126255.db2.gz ABBJGBQEZSERDE-CQSZACIVSA-N 0 3 278.399 4.581 20 70 CJIDHN CCc1ccc([C@H](C)NCc2cccc3cc[nH]c32)cc1 ZINC000218065173 333126362 /nfs/dbraw/zinc/12/63/62/333126362.db2.gz ABBJGBQEZSERDE-AWEZNQCLSA-N 0 3 278.399 4.581 20 70 CJIDHN CC[C@@H](NCc1cccc2cc[nH]c21)c1ccc(C)cc1 ZINC000218068638 333126367 /nfs/dbraw/zinc/12/63/67/333126367.db2.gz WGZUZINSKMQTKC-GOSISDBHSA-N 0 3 278.399 4.717 20 70 CJIDHN CCC[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000218074125 333126670 /nfs/dbraw/zinc/12/66/70/333126670.db2.gz ILFICQVIJZWBBY-GOSISDBHSA-N 0 3 278.399 4.799 20 70 CJIDHN Cc1cc([C@@H](C)NCc2cccc3cc[nH]c32)c(C)s1 ZINC000218089186 333126875 /nfs/dbraw/zinc/12/68/75/333126875.db2.gz XUTAXGWMFRLKFP-GFCCVEGCSA-N 0 3 284.428 4.697 20 70 CJIDHN Cc1cc([C@H](C)NCc2cccc3cc[nH]c32)c(C)s1 ZINC000218089253 333126833 /nfs/dbraw/zinc/12/68/33/333126833.db2.gz XUTAXGWMFRLKFP-LBPRGKRZSA-N 0 3 284.428 4.697 20 70 CJIDHN C[C@@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)s1 ZINC000218090036 333126706 /nfs/dbraw/zinc/12/67/06/333126706.db2.gz DIBZYRVGEVQINW-SNVBAGLBSA-N 0 3 290.819 4.734 20 70 CJIDHN C[C@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)s1 ZINC000218090114 333126855 /nfs/dbraw/zinc/12/68/55/333126855.db2.gz DIBZYRVGEVQINW-JTQLQIEISA-N 0 3 290.819 4.734 20 70 CJIDHN Cc1ccc([C@@H](C)NCc2cccc3cc[nH]c32)c(C)c1 ZINC000218120729 333127169 /nfs/dbraw/zinc/12/71/69/333127169.db2.gz VHUYGXJBWBGXOF-OAHLLOKOSA-N 0 3 278.399 4.636 20 70 CJIDHN CC(C)c1ccc(CNCc2cccc3cc[nH]c32)cc1 ZINC000218136153 333127350 /nfs/dbraw/zinc/12/73/50/333127350.db2.gz CKYUDRSSAWKKNE-UHFFFAOYSA-N 0 3 278.399 4.581 20 70 CJIDHN CSc1ccc([C@@H](C)NCc2cccc3cc[nH]c32)cc1 ZINC000218151286 333127493 /nfs/dbraw/zinc/12/74/93/333127493.db2.gz ANKHHKVUTPOMJF-CYBMUJFWSA-N 0 3 296.439 4.741 20 70 CJIDHN CCc1ccc(CNCc2c(CC)oc3ccccc32)s1 ZINC000218215690 263093197 /nfs/dbraw/zinc/09/31/97/263093197.db2.gz GHURACBIQBVGLW-UHFFFAOYSA-N 0 3 299.439 4.909 20 70 CJIDHN CCc1ccc(CNCc2cc(C)c(C)cc2C)s1 ZINC000218215870 333129554 /nfs/dbraw/zinc/12/95/54/333129554.db2.gz YJAYFKFTKYHPHR-UHFFFAOYSA-N 0 3 273.445 4.526 20 70 CJIDHN CCc1ccc(CNCc2c(C)cc(C)cc2C)s1 ZINC000218219182 333129655 /nfs/dbraw/zinc/12/96/55/333129655.db2.gz SOTQPQMOWFXUEE-UHFFFAOYSA-N 0 3 273.445 4.526 20 70 CJIDHN CCc1ccc(CNCc2csc3ccccc23)s1 ZINC000218220352 333129577 /nfs/dbraw/zinc/12/95/77/333129577.db2.gz GXUHHUOPBVSZAF-UHFFFAOYSA-N 0 3 287.453 4.815 20 70 CJIDHN