smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCNCC1 ZINC000159438370 366913545 /nfs/dbraw/zinc/91/35/45/366913545.db2.gz QSCRBOBHISYGGG-ZJUUUORDSA-N 0 1 282.746 2.014 50 70 CEIAMN Cc1ccc2nc([C@@H](C)NC(=O)c3cc(N)ccn3)[nH]c2c1 ZINC000217141663 400307165 /nfs/dbraw/zinc/30/71/65/400307165.db2.gz LXXLNGIQLOFPSJ-SNVBAGLBSA-N 0 1 295.346 2.340 50 70 CEIAMN O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCNCC1 ZINC000159438623 366912687 /nfs/dbraw/zinc/91/26/87/366912687.db2.gz QSCRBOBHISYGGG-NXEZZACHSA-N 0 1 282.746 2.014 50 70 CEIAMN CCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217146923 400307267 /nfs/dbraw/zinc/30/72/67/400307267.db2.gz YUBKYYYCDLFSRM-LAQFHYBYSA-N 0 1 285.391 2.259 50 70 CEIAMN Cc1c[nH]c(CN2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000217485051 189710070 /nfs/dbraw/zinc/71/00/70/189710070.db2.gz YFLYAISNYCXIQZ-OAHLLOKOSA-N 0 1 270.380 2.207 50 70 CEIAMN O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCNCC1 ZINC000159438502 366913599 /nfs/dbraw/zinc/91/35/99/366913599.db2.gz QSCRBOBHISYGGG-UWVGGRQHSA-N 0 1 282.746 2.014 50 70 CEIAMN Cc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)c(C)o1 ZINC000217742707 538888005 /nfs/dbraw/zinc/88/80/05/538888005.db2.gz SVIYPKZFWHBTOL-LBPRGKRZSA-N 0 1 274.324 2.300 50 70 CEIAMN Cc1ccc2nc([C@H](C)NC(=O)c3cc(N)ccn3)[nH]c2c1 ZINC000217141672 400306709 /nfs/dbraw/zinc/30/67/09/400306709.db2.gz LXXLNGIQLOFPSJ-JTQLQIEISA-N 0 1 295.346 2.340 50 70 CEIAMN O=C(c1cnc[nH]1)N1CCCC[C@H]1c1ccccn1 ZINC000217007822 280230540 /nfs/dbraw/zinc/23/05/40/280230540.db2.gz RYULSDWZBMAJDV-ZDUSSCGKSA-N 0 1 256.309 2.172 50 70 CEIAMN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCNCC1 ZINC000159438763 526499993 /nfs/dbraw/zinc/49/99/93/526499993.db2.gz QSCRBOBHISYGGG-VHSXEESVSA-N 0 1 282.746 2.014 50 70 CEIAMN CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1ncc(F)cc1F ZINC000218102405 370205739 /nfs/dbraw/zinc/20/57/39/370205739.db2.gz HAZXCXNLULGQTO-UHFFFAOYSA-N 0 1 292.289 2.233 50 70 CEIAMN COCc1cc(CNC(=O)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000218187269 370206650 /nfs/dbraw/zinc/20/66/50/370206650.db2.gz SKHIQBUJGZTYKO-UHFFFAOYSA-N 0 1 299.374 2.365 50 70 CEIAMN CO[C@H]1[C@@H]2CC[C@H]1CN(Cc1c(C)nc3ccccn31)C2 ZINC000217151521 400306687 /nfs/dbraw/zinc/30/66/87/400306687.db2.gz DFAUDAYIPVYFQA-HALDLXJZSA-N 0 1 285.391 2.500 50 70 CEIAMN COCc1cc(CNC(=O)c2ccc(Cl)cc2F)n[nH]1 ZINC000218543890 370209661 /nfs/dbraw/zinc/20/96/61/370209661.db2.gz MXIOCVYMIMFTIB-UHFFFAOYSA-N 0 1 297.717 2.279 50 70 CEIAMN O=C(Cc1c[nH]cn1)N1CCCC[C@H]1c1ccccn1 ZINC000217693663 394455473 /nfs/dbraw/zinc/45/54/73/394455473.db2.gz KHXSMXWCPXMTER-AWEZNQCLSA-N 0 1 270.336 2.101 50 70 CEIAMN CCCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2OC ZINC000217965195 370202490 /nfs/dbraw/zinc/20/24/90/370202490.db2.gz YBLVODFHHHLCKC-NHAGDIPZSA-N 0 1 263.385 2.150 50 70 CEIAMN CCCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[C@H]2OC ZINC000217965195 370202499 /nfs/dbraw/zinc/20/24/99/370202499.db2.gz YBLVODFHHHLCKC-NHAGDIPZSA-N 0 1 263.385 2.150 50 70 CEIAMN CCCn1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cn1 ZINC000161241847 344463448 /nfs/dbraw/zinc/46/34/48/344463448.db2.gz UEUHDVDQPIDCAW-JTQLQIEISA-N 0 1 290.371 2.077 50 70 CEIAMN CCCn1cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cn1 ZINC000161241972 344463881 /nfs/dbraw/zinc/46/38/81/344463881.db2.gz UEUHDVDQPIDCAW-SNVBAGLBSA-N 0 1 290.371 2.077 50 70 CEIAMN CN(Cc1ccon1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000218058664 370205077 /nfs/dbraw/zinc/20/50/77/370205077.db2.gz HXOVTSRVSHSAGM-INIZCTEOSA-N 0 1 299.374 2.298 50 70 CEIAMN CN(C(=O)c1ccc(F)cc1O)C1CCSCC1 ZINC000218281520 370208560 /nfs/dbraw/zinc/20/85/60/370208560.db2.gz VEUVOGZXUCPUIH-UHFFFAOYSA-N 0 1 269.341 2.499 50 70 CEIAMN O[C@H](c1cc2n(n1)CCN(C1CCCC1)C2)C1CC1 ZINC000218449786 370210242 /nfs/dbraw/zinc/21/02/42/370210242.db2.gz QQBAMEYTUJOHOP-HNNXBMFYSA-N 0 1 261.369 2.085 50 70 CEIAMN COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000216962956 370192172 /nfs/dbraw/zinc/19/21/72/370192172.db2.gz OFYQUJGAAOKBFZ-AWEZNQCLSA-N 0 1 285.347 2.325 50 70 CEIAMN O=C(c1cnc[nH]1)N1CCCC[C@@H]1c1ccccn1 ZINC000217007811 370191844 /nfs/dbraw/zinc/19/18/44/370191844.db2.gz RYULSDWZBMAJDV-CYBMUJFWSA-N 0 1 256.309 2.172 50 70 CEIAMN CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Cc1ccccn1 ZINC000217568696 370199139 /nfs/dbraw/zinc/19/91/39/370199139.db2.gz UZTQHJTXTGDVCX-UHFFFAOYSA-N 0 1 298.321 2.298 50 70 CEIAMN CCc1nc(CN2CCc3c4ccccc4[nH]c3C2)n[nH]1 ZINC000159570175 366926484 /nfs/dbraw/zinc/92/64/84/366926484.db2.gz OLTWELFBPPNOET-UHFFFAOYSA-N 0 1 281.363 2.407 50 70 CEIAMN Cc1cc(C[C@H](C)NC(=O)Cc2ccsc2)n[nH]1 ZINC000161071112 367053522 /nfs/dbraw/zinc/05/35/22/367053522.db2.gz MIJJCBGRAHHURO-VIFPVBQESA-N 0 1 263.366 2.070 50 70 CEIAMN COC(=O)C[C@@H](c1ccsc1)c1c(O)cc(C)oc1=O ZINC000218554502 370211245 /nfs/dbraw/zinc/21/12/45/370211245.db2.gz RFURPABKGDSXPW-JTQLQIEISA-N 0 1 294.328 2.410 50 70 CEIAMN Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)c(C)o1 ZINC000217742620 538888025 /nfs/dbraw/zinc/88/80/25/538888025.db2.gz SVIYPKZFWHBTOL-GFCCVEGCSA-N 0 1 274.324 2.300 50 70 CEIAMN CCCn1ncnc1[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000218456471 370209785 /nfs/dbraw/zinc/20/97/85/370209785.db2.gz RKBPKCOAKXEURT-JTQLQIEISA-N 0 1 298.350 2.055 50 70 CEIAMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000159843752 344456202 /nfs/dbraw/zinc/45/62/02/344456202.db2.gz FKXHEDIFFUAFKE-CJNGLKHVSA-N 0 1 299.374 2.230 50 70 CEIAMN Cc1c[nH]c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000216971050 370191535 /nfs/dbraw/zinc/19/15/35/370191535.db2.gz BTSUVWYKCPCZFQ-UHFFFAOYSA-N 0 1 289.726 2.178 50 70 CEIAMN CCc1cnc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)s1 ZINC000161279145 367074684 /nfs/dbraw/zinc/07/46/84/367074684.db2.gz SHMAUCDJMFZLMJ-QMMMGPOBSA-N 0 1 293.396 2.490 50 70 CEIAMN COc1ccccc1[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000216962972 370191411 /nfs/dbraw/zinc/19/14/11/370191411.db2.gz OFYQUJGAAOKBFZ-CQSZACIVSA-N 0 1 285.347 2.325 50 70 CEIAMN O[C@@H](c1cc2n(n1)CCN(C1CCCC1)C2)C1CC1 ZINC000218449705 285308761 /nfs/dbraw/zinc/30/87/61/285308761.db2.gz QQBAMEYTUJOHOP-OAHLLOKOSA-N 0 1 261.369 2.085 50 70 CEIAMN CC(C)Cc1ccc(CN2CCN(C)[C@@H](CO)C2)s1 ZINC000216999844 370191500 /nfs/dbraw/zinc/19/15/00/370191500.db2.gz AIYDSVSPFKUBML-CYBMUJFWSA-N 0 1 282.453 2.055 50 70 CEIAMN O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1c1ccccn1 ZINC000217693568 394455331 /nfs/dbraw/zinc/45/53/31/394455331.db2.gz KHXSMXWCPXMTER-CQSZACIVSA-N 0 1 270.336 2.101 50 70 CEIAMN Cc1cccc2nc([C@@H]3CCCN(c4ncncn4)C3)[nH]c21 ZINC000218425461 400308351 /nfs/dbraw/zinc/30/83/51/400308351.db2.gz UFWJQKQDHRLJBQ-GFCCVEGCSA-N 0 1 294.362 2.440 50 70 CEIAMN C[C@H](c1ccon1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000217187851 400307082 /nfs/dbraw/zinc/30/70/82/400307082.db2.gz RSHWJNWMTUUWBJ-SECBINFHSA-N 0 1 270.292 2.384 50 70 CEIAMN Cc1cccnc1C[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000217076510 400307006 /nfs/dbraw/zinc/30/70/06/400307006.db2.gz BAKLZFZQNQUNQS-NSHDSACASA-N 0 1 295.346 2.022 50 70 CEIAMN COc1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)c1 ZINC000216912229 533905218 /nfs/dbraw/zinc/90/52/18/533905218.db2.gz WOVASQXWSREZDG-HBYGRHMLSA-N 0 1 265.328 2.037 50 70 CEIAMN CCc1cnc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)s1 ZINC000161279267 367074658 /nfs/dbraw/zinc/07/46/58/367074658.db2.gz SHMAUCDJMFZLMJ-MRVPVSSYSA-N 0 1 293.396 2.490 50 70 CEIAMN COC(=O)C[C@H](c1ccsc1)c1c(O)cc(C)oc1=O ZINC000218553707 370211231 /nfs/dbraw/zinc/21/12/31/370211231.db2.gz RFURPABKGDSXPW-SNVBAGLBSA-N 0 1 294.328 2.410 50 70 CEIAMN Cc1cc(C[C@@H](C)NC(=O)Cc2ccsc2)n[nH]1 ZINC000161070962 367053864 /nfs/dbraw/zinc/05/38/64/367053864.db2.gz MIJJCBGRAHHURO-SECBINFHSA-N 0 1 263.366 2.070 50 70 CEIAMN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cnc[nH]1 ZINC000217076145 400306741 /nfs/dbraw/zinc/30/67/41/400306741.db2.gz GNYIUCJZILKYSZ-UHFFFAOYSA-N 0 1 281.319 2.072 50 70 CEIAMN Cc1cccc2nc([C@H]3CCCN(c4ncncn4)C3)[nH]c21 ZINC000218425545 281263718 /nfs/dbraw/zinc/26/37/18/281263718.db2.gz UFWJQKQDHRLJBQ-LBPRGKRZSA-N 0 1 294.362 2.440 50 70 CEIAMN C[C@@H](c1ccon1)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000217187845 400306899 /nfs/dbraw/zinc/30/68/99/400306899.db2.gz RSHWJNWMTUUWBJ-VIFPVBQESA-N 0 1 270.292 2.384 50 70 CEIAMN CCCn1ncnc1[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000218456383 370209763 /nfs/dbraw/zinc/20/97/63/370209763.db2.gz RKBPKCOAKXEURT-SNVBAGLBSA-N 0 1 298.350 2.055 50 70 CEIAMN O=C(c1cnc[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000217101674 400307034 /nfs/dbraw/zinc/30/70/34/400307034.db2.gz FESLQKJFZDQCEB-UHFFFAOYSA-N 0 1 295.346 2.306 50 70 CEIAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cccn1C ZINC000218545578 370210113 /nfs/dbraw/zinc/21/01/13/370210113.db2.gz XSBJVHRDGINFLP-UHFFFAOYSA-N 0 1 286.379 2.289 50 70 CEIAMN Cc1cccnc1C[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000217076481 400306986 /nfs/dbraw/zinc/30/69/86/400306986.db2.gz BAKLZFZQNQUNQS-LLVKDONJSA-N 0 1 295.346 2.022 50 70 CEIAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000218501497 370209810 /nfs/dbraw/zinc/20/98/10/370209810.db2.gz QAJDEGLDQFKHOS-WCQYABFASA-N 0 1 293.411 2.217 50 70 CEIAMN Cc1c2cc(C)ccc2oc1CN1CCN(C)[C@@H](CO)C1 ZINC000217526642 370197155 /nfs/dbraw/zinc/19/71/55/370197155.db2.gz YQDAWRLATXCCJL-CQSZACIVSA-N 0 1 288.391 2.158 50 70 CEIAMN CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2OC ZINC000217983649 370202877 /nfs/dbraw/zinc/20/28/77/370202877.db2.gz XWBYZPJHYQOTNH-YABSGUDNSA-N 0 1 297.830 2.493 50 70 CEIAMN