smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217668965 569451252 /nfs/dbraw/zinc/45/12/52/569451252.db2.gz WSWYIEXYPMMBMM-CYBMUJFWSA-N 0 0 439.360 3.405 50 70 IGIARN COc1ccc(Br)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1 ZINC000217777244 569453035 /nfs/dbraw/zinc/45/30/35/569453035.db2.gz ZICQTXNYPMWVHG-UHFFFAOYSA-N 0 0 435.318 3.148 50 70 IGIARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804329 569453563 /nfs/dbraw/zinc/45/35/63/569453563.db2.gz IXGNOILHBDOUEQ-OAHLLOKOSA-N 0 0 443.500 3.454 50 70 IGIARN Cc1c(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cnn1-c1ccccc1 ZINC000217839076 569453964 /nfs/dbraw/zinc/45/39/64/569453964.db2.gz CJPNPXSKPKKCLZ-KRWDZBQOSA-N 0 0 429.484 3.116 50 70 IGIARN Cn1c(CCNC(=O)CN2c3cccnc3Sc3ccccc3C2=O)nc2ccccc21 ZINC000218122043 557177129 /nfs/dbraw/zinc/17/71/29/557177129.db2.gz DEMNMQILFMPWIG-UHFFFAOYSA-N 0 0 443.532 3.439 50 70 IGIARN CSCC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218425185 557198613 /nfs/dbraw/zinc/19/86/13/557198613.db2.gz ZLEGMTFUEGZLHY-IBGZPJMESA-N 0 0 435.553 3.284 50 70 IGIARN C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000217641740 569450736 /nfs/dbraw/zinc/45/07/36/569450736.db2.gz YCNIMDFZAXFRJE-VGSWGCGISA-N 0 0 432.524 3.158 50 70 IGIARN O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217668554 569451216 /nfs/dbraw/zinc/45/12/16/569451216.db2.gz YKMFJHGIRLDUAV-OAHLLOKOSA-N 0 0 433.331 3.343 50 70 IGIARN O=S(=O)(c1ccc(Br)s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217669046 569451231 /nfs/dbraw/zinc/45/12/31/569451231.db2.gz WSWYIEXYPMMBMM-ZDUSSCGKSA-N 0 0 439.360 3.405 50 70 IGIARN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217798620 569453409 /nfs/dbraw/zinc/45/34/09/569453409.db2.gz ZNNZIYIVZCYIRM-OAHLLOKOSA-N 0 0 436.443 3.265 50 70 IGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000218035296 569456096 /nfs/dbraw/zinc/45/60/96/569456096.db2.gz MYIAUYFWLUKKHY-LJQANCHMSA-N 0 0 442.471 3.388 50 70 IGIARN COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218360752 569457096 /nfs/dbraw/zinc/45/70/96/569457096.db2.gz WWQJCOWKOFBPAG-CQSZACIVSA-N 0 0 425.403 3.444 50 70 IGIARN COc1cn(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)cc1=O ZINC000218227620 557183392 /nfs/dbraw/zinc/18/33/92/557183392.db2.gz YVDXNGKMNFYZGJ-UHFFFAOYSA-N 0 0 431.536 3.099 50 70 IGIARN COCCn1c(CCNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 ZINC000218567825 568760282 /nfs/dbraw/zinc/76/02/82/568760282.db2.gz HPFSUYPLZZEILL-UHFFFAOYSA-N 0 0 426.586 3.456 50 70 IGIARN O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1 ZINC000217476297 569446844 /nfs/dbraw/zinc/44/68/44/569446844.db2.gz MBVNGYYYTNUXFT-IBGZPJMESA-N 0 0 435.415 3.248 50 70 IGIARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217821134 569453653 /nfs/dbraw/zinc/45/36/53/569453653.db2.gz DKQYRYJSCCXOHT-GFCCVEGCSA-N 0 0 431.436 3.489 50 70 IGIARN Cc1c(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cnn1-c1ccccc1 ZINC000217838999 569453954 /nfs/dbraw/zinc/45/39/54/569453954.db2.gz CJPNPXSKPKKCLZ-QGZVFWFLSA-N 0 0 429.484 3.116 50 70 IGIARN COC(=O)[C@@H](NC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O)C(C)C ZINC000217757392 557174002 /nfs/dbraw/zinc/17/40/02/557174002.db2.gz LZEZEWHZDQVOAX-MXECYCPESA-N 0 0 447.528 3.265 50 70 IGIARN COCCn1c(CNC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)nc2ccccc21 ZINC000218132961 557177556 /nfs/dbraw/zinc/17/75/56/557177556.db2.gz YTEXOLVTIKOPRP-QFIPXVFZSA-N 0 0 434.540 3.370 50 70 IGIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCn1ccc2ccc(Cl)cc21 ZINC000218169534 557180856 /nfs/dbraw/zinc/18/08/56/557180856.db2.gz PBQXCDYOHSFOFX-UHFFFAOYSA-N 0 0 444.944 3.437 50 70 IGIARN COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc1Cc1ccccc1 ZINC000218176917 557181073 /nfs/dbraw/zinc/18/10/73/557181073.db2.gz FHZYYXHAGBQATA-INIZCTEOSA-N 0 0 437.525 3.166 50 70 IGIARN COc1ccc(C(=O)CNC(=O)CN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000218303779 557191356 /nfs/dbraw/zinc/19/13/56/557191356.db2.gz UHWLTJSYFARBJW-UHFFFAOYSA-N 0 0 433.489 3.201 50 70 IGIARN O=C(CCn1ccc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000218397631 557197118 /nfs/dbraw/zinc/19/71/18/557197118.db2.gz GGLRDWQAUKDPDC-UHFFFAOYSA-N 0 0 449.935 3.357 50 70 IGIARN COC(=O)CNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 ZINC000217676635 569451506 /nfs/dbraw/zinc/45/15/06/569451506.db2.gz JHQBREYYOPSKSS-UHFFFAOYSA-N 0 0 427.497 3.351 50 70 IGIARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000218143715 569456512 /nfs/dbraw/zinc/45/65/12/569456512.db2.gz IEMNOEFQQGDBGS-SFHVURJKSA-N 0 0 439.589 3.076 50 70 IGIARN CC(C)c1nc(-c2cccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n[nH]1 ZINC000217786309 557173991 /nfs/dbraw/zinc/17/39/91/557173991.db2.gz DCEKFIVAXIBDFE-SFHVURJKSA-N 0 0 432.484 3.065 50 70 IGIARN COc1cc2nc(CSCCNC(=O)c3ccc4[nH]ccc4c3)[nH]c(=O)c2cc1OC ZINC000218359598 557195028 /nfs/dbraw/zinc/19/50/28/557195028.db2.gz OMXSSJSBGSPSKY-UHFFFAOYSA-N 0 0 438.509 3.085 50 70 IGIARN COc1cn(CC(=O)Nc2nc(-c3ccc4c(c3)OCCCO4)cs2)c(C)cc1=O ZINC000218372511 557195948 /nfs/dbraw/zinc/19/59/48/557195948.db2.gz ROZXTOTYGUSGSF-UHFFFAOYSA-N 0 0 427.482 3.089 50 70 IGIARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000218435982 557199298 /nfs/dbraw/zinc/19/92/98/557199298.db2.gz GFRRJAZCKOUIKD-LPHOPBHVSA-N 0 0 443.573 3.253 50 70 IGIARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217725946 569452264 /nfs/dbraw/zinc/45/22/64/569452264.db2.gz ZCARHICXNRNDAU-GASCZTMLSA-N 0 0 425.872 3.079 50 70 IGIARN CC(C)C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1nc2ccccc2[nH]1 ZINC000217783146 569453223 /nfs/dbraw/zinc/45/32/23/569453223.db2.gz GNLQHBWVCRNEKN-JPLJXNOCSA-N 0 0 429.590 3.492 50 70 IGIARN COc1ccc2cnn(CC(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)c(=O)c2c1OC ZINC000218244267 569456904 /nfs/dbraw/zinc/45/69/04/569456904.db2.gz CIBBHEVJSUEROT-SFHVURJKSA-N 0 0 449.511 3.194 50 70 IGIARN COc1ccccc1[C@@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O ZINC000218525418 568759883 /nfs/dbraw/zinc/75/98/83/568759883.db2.gz ITSNMMWYENNCID-GOSISDBHSA-N 0 0 435.524 3.413 50 70 IGIARN COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217763235 569452913 /nfs/dbraw/zinc/45/29/13/569452913.db2.gz KXPYIQDGCSBZDB-QHCPKHFHSA-N 0 0 427.460 3.126 50 70 IGIARN Cc1cc(OC2CCN(C(=O)CCc3ccccc3Br)CC2)cc(=O)n1C ZINC000217777365 569453011 /nfs/dbraw/zinc/45/30/11/569453011.db2.gz OBSVZTGLRGQEEN-UHFFFAOYSA-N 0 0 433.346 3.459 50 70 IGIARN COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217799581 569453404 /nfs/dbraw/zinc/45/34/04/569453404.db2.gz FGVIFFMCOMNUKL-SFHVURJKSA-N 0 0 431.485 3.044 50 70 IGIARN COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217815782 569453588 /nfs/dbraw/zinc/45/35/88/569453588.db2.gz DYSYOZMNZDWXDI-QGZVFWFLSA-N 0 0 431.485 3.044 50 70 IGIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC(C)C)[C@H]21 ZINC000217865549 569454275 /nfs/dbraw/zinc/45/42/75/569454275.db2.gz YPNVFXNMZSTZBP-QFIPXVFZSA-N 0 0 437.496 3.123 50 70 IGIARN COC(=O)c1sccc1S(=O)(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 ZINC000217897903 569454691 /nfs/dbraw/zinc/45/46/91/569454691.db2.gz USSWAJBEYYOEIG-UHFFFAOYSA-N 0 0 435.527 3.130 50 70 IGIARN COc1ccc(CCc2nnc(NC(=O)C3(c4ccccc4)CCOCC3)[nH]2)cc1OC ZINC000218350330 557194112 /nfs/dbraw/zinc/19/41/12/557194112.db2.gz VGZRGCKFPPWXTJ-UHFFFAOYSA-N 0 0 436.512 3.294 50 70 IGIARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1 ZINC000217877831 569454374 /nfs/dbraw/zinc/45/43/74/569454374.db2.gz JCZVGIKAYNBLSK-UHFFFAOYSA-N 0 0 444.582 3.169 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)c1nc2ccccc2[nH]1 ZINC000218220114 557182664 /nfs/dbraw/zinc/18/26/64/557182664.db2.gz SYDACWUKSPDYOF-OWZDWXTDSA-N 0 0 443.573 3.253 50 70 IGIARN CC(C)C[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C ZINC000218551270 568759944 /nfs/dbraw/zinc/75/99/44/568759944.db2.gz QIDPTAVWORZQEL-SFHVURJKSA-N 0 0 433.512 3.248 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccccn1 ZINC000217615328 569450230 /nfs/dbraw/zinc/45/02/30/569450230.db2.gz HIZBNBYUPVHGKW-HSZRJFAPSA-N 0 0 426.476 3.293 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCC1CCOCC1 ZINC000217637198 569450654 /nfs/dbraw/zinc/45/06/54/569450654.db2.gz FFIXPQNQUJMUFL-HSZRJFAPSA-N 0 0 433.508 3.124 50 70 IGIARN O=S(=O)(c1ccccc1Br)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217668622 569451228 /nfs/dbraw/zinc/45/12/28/569451228.db2.gz YKMFJHGIRLDUAV-HNNXBMFYSA-N 0 0 433.331 3.343 50 70 IGIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC(C)C)[C@@H]21 ZINC000217865592 569454276 /nfs/dbraw/zinc/45/42/76/569454276.db2.gz YPNVFXNMZSTZBP-JOCHJYFZSA-N 0 0 437.496 3.123 50 70 IGIARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cn1 ZINC000217906572 569454782 /nfs/dbraw/zinc/45/47/82/569454782.db2.gz CIAYJUIPLSQRBQ-QFIPXVFZSA-N 0 0 428.448 3.234 50 70 IGIARN Cc1nn(C(C)C)c(C)c1NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000218329792 569457037 /nfs/dbraw/zinc/45/70/37/569457037.db2.gz JPNQPSMVUDPMQM-IBGZPJMESA-N 0 0 436.516 3.054 50 70 IGIARN COc1ccc(S(=O)(=O)CCNC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000218139965 557179957 /nfs/dbraw/zinc/17/99/57/557179957.db2.gz OPSDWZOXWKNXKI-UHFFFAOYSA-N 0 0 440.525 3.049 50 70 IGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1 ZINC000218176037 557181162 /nfs/dbraw/zinc/18/11/62/557181162.db2.gz NPBMVESHDIJHDA-INIZCTEOSA-N 0 0 433.516 3.408 50 70 IGIARN O=C(NCCCCCc1nnc2ccccn21)[C@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1 ZINC000218281583 557187567 /nfs/dbraw/zinc/18/75/67/557187567.db2.gz CCPPRRSVIYCZKA-AWEZNQCLSA-N 0 0 445.445 3.029 50 70 IGIARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218279117 568741423 /nfs/dbraw/zinc/74/14/23/568741423.db2.gz BWHOMEYXCXRNHD-IAGOWNOFSA-N 0 0 428.489 3.061 50 70 IGIARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217609631 569450072 /nfs/dbraw/zinc/45/00/72/569450072.db2.gz UHTQUXURYTWUOL-UHFFFAOYSA-N 0 0 425.876 3.086 50 70 IGIARN COC(=O)[C@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000217604851 569450073 /nfs/dbraw/zinc/45/00/73/569450073.db2.gz ORLWOMZGAFEECY-FUHWJXTLSA-N 0 0 443.443 3.323 50 70 IGIARN COc1cc(/C=C/C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc(OC)c1OC ZINC000217663402 569451183 /nfs/dbraw/zinc/45/11/83/569451183.db2.gz QIZQMAGEMCIRBH-JBVUFVISSA-N 0 0 434.496 3.458 50 70 IGIARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)cc1 ZINC000217899293 569454680 /nfs/dbraw/zinc/45/46/80/569454680.db2.gz QYEAISTWZKGXFR-UHFFFAOYSA-N 0 0 430.574 3.133 50 70 IGIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000218185157 569456688 /nfs/dbraw/zinc/45/66/88/569456688.db2.gz LLEYDBCWGYECFA-AWEZNQCLSA-N 0 0 445.560 3.117 50 70 IGIARN COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000218464618 557201182 /nfs/dbraw/zinc/20/11/82/557201182.db2.gz GXHHAKLPNYTXPB-IBGZPJMESA-N 0 0 439.512 3.001 50 70 IGIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2n1C ZINC000218527861 557206099 /nfs/dbraw/zinc/20/60/99/557206099.db2.gz MVDAQESDJUJWHH-VFNWGFHPSA-N 0 0 430.512 3.316 50 70 IGIARN COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000218526991 557206188 /nfs/dbraw/zinc/20/61/88/557206188.db2.gz GNYAEZMPJWTVOG-IBGZPJMESA-N 0 0 447.491 3.031 50 70 IGIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc(OCCc3ccc4c(c3)CCO4)c2)o1 ZINC000217696299 569451902 /nfs/dbraw/zinc/45/19/02/569451902.db2.gz JQKBYKATIRCQHS-HXUWFJFHSA-N 0 0 435.476 3.218 50 70 IGIARN CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000217795377 569453407 /nfs/dbraw/zinc/45/34/07/569453407.db2.gz NIGKAFULWBVKMN-UXHICEINSA-N 0 0 433.512 3.297 50 70 IGIARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217844545 569453998 /nfs/dbraw/zinc/45/39/98/569453998.db2.gz NTALSYXFYVQWRC-HNNXBMFYSA-N 0 0 447.474 3.161 50 70 IGIARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](C)(O)c3cc4ccccc4o3)n(C)n2)c1 ZINC000217992916 569455636 /nfs/dbraw/zinc/45/56/36/569455636.db2.gz FYLANVOLTPHPLV-XMMPIXPASA-N 0 0 435.480 3.488 50 70 IGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000218035211 569456083 /nfs/dbraw/zinc/45/60/83/569456083.db2.gz MYIAUYFWLUKKHY-IBGZPJMESA-N 0 0 442.471 3.388 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)c1nc2ccccc2[nH]1 ZINC000218220191 557182741 /nfs/dbraw/zinc/18/27/41/557182741.db2.gz SYDACWUKSPDYOF-RISOHXOYSA-N 0 0 443.573 3.253 50 70 IGIARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cc(=O)c2ccccc2o1 ZINC000217645533 569450763 /nfs/dbraw/zinc/45/07/63/569450763.db2.gz DQAIDAGCEPVYOI-UHFFFAOYSA-N 0 0 425.404 3.476 50 70 IGIARN CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000217668616 569451222 /nfs/dbraw/zinc/45/12/22/569451222.db2.gz ZFXYKRPAKCFLKF-UXHICEINSA-N 0 0 447.539 3.308 50 70 IGIARN COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217763149 569452932 /nfs/dbraw/zinc/45/29/32/569452932.db2.gz KXPYIQDGCSBZDB-HSZRJFAPSA-N 0 0 427.460 3.126 50 70 IGIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cn3c4ccccc4oc3=O)C2)n1 ZINC000217830035 569453793 /nfs/dbraw/zinc/45/37/93/569453793.db2.gz QZLQNNQEQBJIIU-KRWDZBQOSA-N 0 0 432.480 3.434 50 70 IGIARN O=C(c1cc(Br)cs1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847996 569454026 /nfs/dbraw/zinc/45/40/26/569454026.db2.gz UAUBGYSBXPVIOU-NSHDSACASA-N 0 0 434.319 3.446 50 70 IGIARN COc1cc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc2c1OCO2 ZINC000218117010 569456354 /nfs/dbraw/zinc/45/63/54/569456354.db2.gz MDGUWZBCBAPGND-GOSISDBHSA-N 0 0 449.459 3.283 50 70 IGIARN CC(C)C[C@H](NC(=O)CCCCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000218245249 569456924 /nfs/dbraw/zinc/45/69/24/569456924.db2.gz PPTSINLOBVKPPN-SFHVURJKSA-N 0 0 448.527 3.413 50 70 IGIARN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C ZINC000218395181 557197153 /nfs/dbraw/zinc/19/71/53/557197153.db2.gz BIHHTKSELLJWDS-YJBOKZPZSA-N 0 0 426.542 3.125 50 70 IGIARN COc1cccc(-c2cc(C(=O)N3CC[C@@H](n4cc(-c5ccccc5)nn4)C3)n(C)n2)c1 ZINC000217664202 569451137 /nfs/dbraw/zinc/45/11/37/569451137.db2.gz IYHKAKXCUZCXBJ-LJQANCHMSA-N 0 0 428.496 3.441 50 70 IGIARN CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000217668535 569451226 /nfs/dbraw/zinc/45/12/26/569451226.db2.gz ZFXYKRPAKCFLKF-PMACEKPBSA-N 0 0 447.539 3.308 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1nc2ccccc2[nH]1 ZINC000217687483 569451666 /nfs/dbraw/zinc/45/16/66/569451666.db2.gz CNBZNTDRXOGVTK-LKGZUJRASA-N 0 0 429.590 3.492 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1cccnc1 ZINC000217718590 569452133 /nfs/dbraw/zinc/45/21/33/569452133.db2.gz SHKBNWGKQMHGMJ-HSZRJFAPSA-N 0 0 426.476 3.293 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000217747982 569452592 /nfs/dbraw/zinc/45/25/92/569452592.db2.gz SJJPFWCDFGSICB-ZKYUUJBMSA-N 0 0 433.512 3.297 50 70 IGIARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000217950728 569455202 /nfs/dbraw/zinc/45/52/02/569455202.db2.gz PMLHRJLYXQBEDU-SFTDATJTSA-N 0 0 436.512 3.045 50 70 IGIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000218185085 569456649 /nfs/dbraw/zinc/45/66/49/569456649.db2.gz LLEYDBCWGYECFA-CQSZACIVSA-N 0 0 445.560 3.117 50 70 IGIARN COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCC(C)(C)O4)[nH][nH]c2=O)cc1 ZINC000218561933 557207529 /nfs/dbraw/zinc/20/75/29/557207529.db2.gz MLLVVILXKDTPHK-IBGZPJMESA-N 0 0 435.524 3.413 50 70 IGIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(OCCc3ccc4c(c3)CCO4)c2)o1 ZINC000217696367 569451864 /nfs/dbraw/zinc/45/18/64/569451864.db2.gz JQKBYKATIRCQHS-FQEVSTJZSA-N 0 0 435.476 3.218 50 70 IGIARN Cc1csc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000217791506 569453206 /nfs/dbraw/zinc/45/32/06/569453206.db2.gz UYYBKMZJUZHNFF-QFIPXVFZSA-N 0 0 446.532 3.315 50 70 IGIARN COCCn1c(CNC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)nc2ccccc21 ZINC000217903325 557174574 /nfs/dbraw/zinc/17/45/74/557174574.db2.gz WMWSMVIOQPLIIY-UHFFFAOYSA-N 0 0 449.507 3.355 50 70 IGIARN COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218183038 557181198 /nfs/dbraw/zinc/18/11/98/557181198.db2.gz MWBBRYHBIFNWIY-HNNXBMFYSA-N 0 0 449.887 3.408 50 70 IGIARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3C(=O)N2C)cc1OC ZINC000218366143 557195656 /nfs/dbraw/zinc/19/56/56/557195656.db2.gz CIYFOJJZGNHHSS-VQTJNVASSA-N 0 0 449.511 3.495 50 70 IGIARN COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3C(=O)N2C)cc1OC ZINC000218366217 557195721 /nfs/dbraw/zinc/19/57/21/557195721.db2.gz CIYFOJJZGNHHSS-UXHICEINSA-N 0 0 449.511 3.495 50 70 IGIARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000218435889 557199355 /nfs/dbraw/zinc/19/93/55/557199355.db2.gz GFRRJAZCKOUIKD-APWZRJJASA-N 0 0 443.573 3.253 50 70 IGIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2n1C ZINC000218527929 557206163 /nfs/dbraw/zinc/20/61/63/557206163.db2.gz MVDAQESDJUJWHH-BTYIYWSLSA-N 0 0 430.512 3.316 50 70 IGIARN COC(=O)[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000217605027 569450070 /nfs/dbraw/zinc/45/00/70/569450070.db2.gz ORLWOMZGAFEECY-WMZOPIPTSA-N 0 0 443.443 3.323 50 70 IGIARN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217798555 569453365 /nfs/dbraw/zinc/45/33/65/569453365.db2.gz ZNNZIYIVZCYIRM-HNNXBMFYSA-N 0 0 436.443 3.265 50 70 IGIARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217852761 569454219 /nfs/dbraw/zinc/45/42/19/569454219.db2.gz OGQKKFSVNZBCRS-AWEZNQCLSA-N 0 0 433.921 3.132 50 70 IGIARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217619173 569450248 /nfs/dbraw/zinc/45/02/48/569450248.db2.gz VYPGKZXQEUYUTI-HSZRJFAPSA-N 0 0 440.459 3.399 50 70 IGIARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217668839 569451238 /nfs/dbraw/zinc/45/12/38/569451238.db2.gz JDUWTEREDJFJRK-HNNXBMFYSA-N 0 0 438.431 3.479 50 70 IGIARN O=C(CCS(=O)(=O)c1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217879246 569454369 /nfs/dbraw/zinc/45/43/69/569454369.db2.gz GNOMNDDLURGGDJ-UHFFFAOYSA-N 0 0 429.567 3.469 50 70 IGIARN COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1O ZINC000217991878 569455648 /nfs/dbraw/zinc/45/56/48/569455648.db2.gz UYJMETIDQFJFDR-GFCCVEGCSA-N 0 0 440.404 3.173 50 70 IGIARN COc1cc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC(C)=O ZINC000218094241 569456306 /nfs/dbraw/zinc/45/63/06/569456306.db2.gz SMSIHMTUPXOQJH-ZDUSSCGKSA-N 0 0 432.425 3.096 50 70 IGIARN CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1nc2ccccc2n1C ZINC000217804044 557173978 /nfs/dbraw/zinc/17/39/78/557173978.db2.gz XTVHJBJJQSFQLZ-UHMOLFJZSA-N 0 0 429.590 3.112 50 70 IGIARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3C(=O)N2C)cc1OC ZINC000218366272 557195638 /nfs/dbraw/zinc/19/56/38/557195638.db2.gz CIYFOJJZGNHHSS-WOJBJXKFSA-N 0 0 449.511 3.495 50 70 IGIARN Cn1nc2cc(Br)ccc2c1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217672874 569451481 /nfs/dbraw/zinc/45/14/81/569451481.db2.gz CHZDELPCKRBVGD-UHFFFAOYSA-N 0 0 437.301 3.291 50 70 IGIARN CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000217795302 569453394 /nfs/dbraw/zinc/45/33/94/569453394.db2.gz NIGKAFULWBVKMN-PMACEKPBSA-N 0 0 433.512 3.297 50 70 IGIARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000218143786 569456492 /nfs/dbraw/zinc/45/64/92/569456492.db2.gz IEMNOEFQQGDBGS-GOSISDBHSA-N 0 0 439.589 3.076 50 70 IGIARN CCn1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c(=O)c2ccc(C)nc21 ZINC000218272935 568741416 /nfs/dbraw/zinc/74/14/16/568741416.db2.gz HPRKWDULVIDKRE-KRWDZBQOSA-N 0 0 445.479 3.014 50 70 IGIARN Cn1ccnc1S(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000217696342 569451918 /nfs/dbraw/zinc/45/19/18/569451918.db2.gz WBVJBGUEZOTJCK-UHFFFAOYSA-N 0 0 437.521 3.123 50 70 IGIARN COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217799674 569453373 /nfs/dbraw/zinc/45/33/73/569453373.db2.gz FGVIFFMCOMNUKL-GOSISDBHSA-N 0 0 431.485 3.044 50 70 IGIARN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217815875 569453593 /nfs/dbraw/zinc/45/35/93/569453593.db2.gz DYSYOZMNZDWXDI-KRWDZBQOSA-N 0 0 431.485 3.044 50 70 IGIARN Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(Br)s1 ZINC000217871466 569454345 /nfs/dbraw/zinc/45/43/45/569454345.db2.gz LXMSCUIPTULBQA-UHFFFAOYSA-N 0 0 427.349 3.056 50 70 IGIARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@](C)(O)c3cc4ccccc4o3)n(C)n2)c1 ZINC000217992993 569455610 /nfs/dbraw/zinc/45/56/10/569455610.db2.gz FYLANVOLTPHPLV-DEOSSOPVSA-N 0 0 435.480 3.488 50 70 IGIARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218279241 568741396 /nfs/dbraw/zinc/74/13/96/568741396.db2.gz BWHOMEYXCXRNHD-DLBZAZTESA-N 0 0 428.489 3.061 50 70 IGIARN CCn1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)nc1C ZINC000217646074 569450780 /nfs/dbraw/zinc/45/07/80/569450780.db2.gz DEGDTDMNASODKC-MRXNPFEDSA-N 0 0 446.392 3.419 50 70 IGIARN CCn1cc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c(=O)c2ccc(C)nc21 ZINC000217661924 569451153 /nfs/dbraw/zinc/45/11/53/569451153.db2.gz UURWGGYFXHTRFP-SFHVURJKSA-N 0 0 428.496 3.071 50 70 IGIARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217726021 569452283 /nfs/dbraw/zinc/45/22/83/569452283.db2.gz ZCARHICXNRNDAU-GJZGRUSLSA-N 0 0 425.872 3.079 50 70 IGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217853322 569454175 /nfs/dbraw/zinc/45/41/75/569454175.db2.gz UMUPRAFDMAEBEY-INIZCTEOSA-N 0 0 439.541 3.049 50 70 IGIARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2cccs2)cs1 ZINC000218243641 569456918 /nfs/dbraw/zinc/45/69/18/569456918.db2.gz ZLOUHXOPGKWJDE-ZDUSSCGKSA-N 0 0 430.486 3.460 50 70 IGIARN CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C ZINC000218395100 557197248 /nfs/dbraw/zinc/19/72/48/557197248.db2.gz BIHHTKSELLJWDS-QAPCUYQASA-N 0 0 426.542 3.125 50 70 IGIARN COc1ccccc1-c1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)n(C)n1 ZINC000218276737 568741356 /nfs/dbraw/zinc/74/13/56/568741356.db2.gz JPLNRSLSMQXRHO-QGZVFWFLSA-N 0 0 445.479 3.385 50 70 IGIARN O=C(CCc1ccc(OCc2ccccc2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217610420 569450039 /nfs/dbraw/zinc/45/00/39/569450039.db2.gz BLFREQNAUFTSME-UHFFFAOYSA-N 0 0 444.535 3.367 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccccn1 ZINC000217615411 569450185 /nfs/dbraw/zinc/45/01/85/569450185.db2.gz HIZBNBYUPVHGKW-QHCPKHFHSA-N 0 0 426.476 3.293 50 70 IGIARN COc1cc(/C=C/C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc(OC)c1OC ZINC000217663321 569451157 /nfs/dbraw/zinc/45/11/57/569451157.db2.gz QIZQMAGEMCIRBH-YXBWYFRISA-N 0 0 434.496 3.458 50 70 IGIARN CC(C)CCn1cnc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2c1=O ZINC000217960837 569455314 /nfs/dbraw/zinc/45/53/14/569455314.db2.gz PMXIJSKZKADLQL-UHFFFAOYSA-N 0 0 431.496 3.181 50 70 IGIARN COC(=O)[C@H](CCSC)NC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12 ZINC000218333615 557193533 /nfs/dbraw/zinc/19/35/33/557193533.db2.gz APDKRRYPGXOZSB-SFHVURJKSA-N 0 0 440.521 3.024 50 70 IGIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 ZINC000218486442 557202595 /nfs/dbraw/zinc/20/25/95/557202595.db2.gz JSAWTAQKLBAXEH-FPOVZHCZSA-N 0 0 449.511 3.290 50 70 IGIARN O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000218201899 568740397 /nfs/dbraw/zinc/74/03/97/568740397.db2.gz MUPAGJICIUJZBT-HNNXBMFYSA-N 0 0 447.333 3.064 50 70 IGIARN CCn1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c(=O)c2ccc(C)nc21 ZINC000218272886 568741457 /nfs/dbraw/zinc/74/14/57/568741457.db2.gz HPRKWDULVIDKRE-QGZVFWFLSA-N 0 0 445.479 3.014 50 70 IGIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)cc2)o1 ZINC000217594850 569449661 /nfs/dbraw/zinc/44/96/61/569449661.db2.gz MWWDSKVYPLQVPA-FQEVSTJZSA-N 0 0 435.476 3.218 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000217747905 569452579 /nfs/dbraw/zinc/45/25/79/569452579.db2.gz SJJPFWCDFGSICB-JBYOLUDKSA-N 0 0 433.512 3.297 50 70 IGIARN COc1ccc(CCC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1OCc1ccccc1 ZINC000217744619 569452589 /nfs/dbraw/zinc/45/25/89/569452589.db2.gz PAAZLDHLSOUDHZ-UHFFFAOYSA-N 0 0 440.521 3.113 50 70 IGIARN O=C(c1cc(Br)cs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217848078 569453990 /nfs/dbraw/zinc/45/39/90/569453990.db2.gz UAUBGYSBXPVIOU-LLVKDONJSA-N 0 0 434.319 3.446 50 70 IGIARN COc1cc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc2c1OCO2 ZINC000218116907 569456406 /nfs/dbraw/zinc/45/64/06/569456406.db2.gz MDGUWZBCBAPGND-SFHVURJKSA-N 0 0 449.459 3.283 50 70 IGIARN CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2Br)c1-n1cccc1 ZINC000218119638 557177072 /nfs/dbraw/zinc/17/70/72/557177072.db2.gz FWWFFILNASCXEW-AWEZNQCLSA-N 0 0 449.374 3.269 50 70 IGIARN CN(Cc1ccccc1)Cc1c(O)c(=O)cc(CN2CCN(c3ccccc3)CC2)n1C ZINC000218567071 557207922 /nfs/dbraw/zinc/20/79/22/557207922.db2.gz VTEUCELZXSDXOQ-UHFFFAOYSA-N 0 0 432.568 3.045 50 70 IGIARN COC(=O)[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000217604939 569450037 /nfs/dbraw/zinc/45/00/37/569450037.db2.gz ORLWOMZGAFEECY-AEFFLSMTSA-N 0 0 443.443 3.323 50 70 IGIARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217619259 569450270 /nfs/dbraw/zinc/45/02/70/569450270.db2.gz VYPGKZXQEUYUTI-QHCPKHFHSA-N 0 0 440.459 3.399 50 70 IGIARN Cc1csc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000217791419 569453233 /nfs/dbraw/zinc/45/32/33/569453233.db2.gz UYYBKMZJUZHNFF-JOCHJYFZSA-N 0 0 446.532 3.315 50 70 IGIARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217821216 569453689 /nfs/dbraw/zinc/45/36/89/569453689.db2.gz DKQYRYJSCCXOHT-LBPRGKRZSA-N 0 0 431.436 3.489 50 70 IGIARN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217822734 569453739 /nfs/dbraw/zinc/45/37/39/569453739.db2.gz KOTMPGGTLGLRNX-SNVBAGLBSA-N 0 0 432.365 3.414 50 70 IGIARN COC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217906043 569454804 /nfs/dbraw/zinc/45/48/04/569454804.db2.gz YSXKAGFZRLRGFL-JOCHJYFZSA-N 0 0 441.443 3.227 50 70 IGIARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cn1 ZINC000217906518 569454821 /nfs/dbraw/zinc/45/48/21/569454821.db2.gz CIAYJUIPLSQRBQ-JOCHJYFZSA-N 0 0 428.448 3.234 50 70 IGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000218232787 557183702 /nfs/dbraw/zinc/18/37/02/557183702.db2.gz URQLHHFZAASBFY-KRWDZBQOSA-N 0 0 435.436 3.003 50 70 IGIARN CSCC[C@H](NC(=O)Cn1ccc2c1cccc2NC(C)=O)c1nnc2ccccn21 ZINC000218239038 557183995 /nfs/dbraw/zinc/18/39/95/557183995.db2.gz GBXKHLCWUZHKMQ-SFHVURJKSA-N 0 0 436.541 3.253 50 70 IGIARN O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000218201833 568740424 /nfs/dbraw/zinc/74/04/24/568740424.db2.gz MUPAGJICIUJZBT-OAHLLOKOSA-N 0 0 447.333 3.064 50 70 IGIARN COc1cccc(-c2cc(C(=O)N3CC[C@H](n4cc(-c5ccccc5)nn4)C3)n(C)n2)c1 ZINC000217664115 569451149 /nfs/dbraw/zinc/45/11/49/569451149.db2.gz IYHKAKXCUZCXBJ-IBGZPJMESA-N 0 0 428.496 3.441 50 70 IGIARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217668746 569451255 /nfs/dbraw/zinc/45/12/55/569451255.db2.gz JDUWTEREDJFJRK-OAHLLOKOSA-N 0 0 438.431 3.479 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1cccnc1 ZINC000217718677 569452131 /nfs/dbraw/zinc/45/21/31/569452131.db2.gz SHKBNWGKQMHGMJ-QHCPKHFHSA-N 0 0 426.476 3.293 50 70 IGIARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(C)c1 ZINC000217824099 569453769 /nfs/dbraw/zinc/45/37/69/569453769.db2.gz FYEYVBJBAJULMK-OAHLLOKOSA-N 0 0 432.546 3.247 50 70 IGIARN COc1cn(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)c(C)cc1=O ZINC000218209841 557182184 /nfs/dbraw/zinc/18/21/84/557182184.db2.gz PQHVVXDPKKVIOZ-UHFFFAOYSA-N 0 0 430.508 3.476 50 70 IGIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3CCCC3)[C@H]21 ZINC000217634596 569450680 /nfs/dbraw/zinc/45/06/80/569450680.db2.gz BSLZUWKJFOEFIS-QHCPKHFHSA-N 0 0 449.507 3.221 50 70 IGIARN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217822827 569453789 /nfs/dbraw/zinc/45/37/89/569453789.db2.gz KOTMPGGTLGLRNX-JTQLQIEISA-N 0 0 432.365 3.414 50 70 IGIARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804237 569453565 /nfs/dbraw/zinc/45/35/65/569453565.db2.gz IXGNOILHBDOUEQ-HNNXBMFYSA-N 0 0 443.500 3.454 50 70 IGIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cn3c4ccccc4oc3=O)C2)n1 ZINC000217830109 569453771 /nfs/dbraw/zinc/45/37/71/569453771.db2.gz QZLQNNQEQBJIIU-QGZVFWFLSA-N 0 0 432.480 3.434 50 70 IGIARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 ZINC000217856701 569454182 /nfs/dbraw/zinc/45/41/82/569454182.db2.gz LSUJMGCATMOWPG-MRXNPFEDSA-N 0 0 446.486 3.185 50 70 IGIARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000217749904 569452568 /nfs/dbraw/zinc/45/25/68/569452568.db2.gz JNUMKWRFNILAPU-UHFFFAOYSA-N 0 0 438.914 3.201 50 70 IGIARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217852674 569454174 /nfs/dbraw/zinc/45/41/74/569454174.db2.gz OGQKKFSVNZBCRS-CQSZACIVSA-N 0 0 433.921 3.132 50 70 IGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000218082591 569456268 /nfs/dbraw/zinc/45/62/68/569456268.db2.gz UGPPWDWVFPZPIS-IBGZPJMESA-N 0 0 433.460 3.317 50 70 IGIARN COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218182961 557181111 /nfs/dbraw/zinc/18/11/11/557181111.db2.gz MWBBRYHBIFNWIY-OAHLLOKOSA-N 0 0 449.887 3.408 50 70 IGIARN COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217741556 569452426 /nfs/dbraw/zinc/45/24/26/569452426.db2.gz UYMKDCJWLRYZDK-DEOSSOPVSA-N 0 0 441.487 3.169 50 70 IGIARN COc1cccc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3nn(C)c4c3CCC4)CC2=O)c1 ZINC000217903764 569454827 /nfs/dbraw/zinc/45/48/27/569454827.db2.gz PZRRPKATJYSBNE-QGZVFWFLSA-N 0 0 448.523 3.092 50 70 IGIARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)[nH]c2c3ccccc3nn2c1=O ZINC000218436823 569457946 /nfs/dbraw/zinc/45/79/46/569457946.db2.gz NAJIKNTXYVFPRO-UHFFFAOYSA-N 0 0 433.468 3.023 50 70 IGIARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3C(=O)N2C)cc1OC ZINC000218366077 557195667 /nfs/dbraw/zinc/19/56/67/557195667.db2.gz CIYFOJJZGNHHSS-PMACEKPBSA-N 0 0 449.511 3.495 50 70 IGIARN CC(C)c1nc(-c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n[nH]1 ZINC000218370830 557195919 /nfs/dbraw/zinc/19/59/19/557195919.db2.gz ZJEOKIKYHKEHFH-SFHVURJKSA-N 0 0 432.484 3.065 50 70 IGIARN COc1ccccc1-c1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)n(C)n1 ZINC000218276786 568741350 /nfs/dbraw/zinc/74/13/50/568741350.db2.gz JPLNRSLSMQXRHO-KRWDZBQOSA-N 0 0 445.479 3.385 50 70 IGIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)cc2)o1 ZINC000217594782 569449694 /nfs/dbraw/zinc/44/96/94/569449694.db2.gz MWWDSKVYPLQVPA-HXUWFJFHSA-N 0 0 435.476 3.218 50 70 IGIARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217844468 569453994 /nfs/dbraw/zinc/45/39/94/569453994.db2.gz NTALSYXFYVQWRC-OAHLLOKOSA-N 0 0 447.474 3.161 50 70 IGIARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 ZINC000217856775 569454169 /nfs/dbraw/zinc/45/41/69/569454169.db2.gz LSUJMGCATMOWPG-INIZCTEOSA-N 0 0 446.486 3.185 50 70 IGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217853231 569454171 /nfs/dbraw/zinc/45/41/71/569454171.db2.gz UMUPRAFDMAEBEY-MRXNPFEDSA-N 0 0 439.541 3.049 50 70 IGIARN COC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217906116 569454803 /nfs/dbraw/zinc/45/48/03/569454803.db2.gz YSXKAGFZRLRGFL-QFIPXVFZSA-N 0 0 441.443 3.227 50 70 IGIARN COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc1Cc1ccccc1 ZINC000218176832 557180965 /nfs/dbraw/zinc/18/09/65/557180965.db2.gz FHZYYXHAGBQATA-MRXNPFEDSA-N 0 0 437.525 3.166 50 70 IGIARN COc1ccc(C2(C(=O)N[C@@H](CCSC)c3nnc4ccccn43)CCOCC2)cc1 ZINC000218207500 557182179 /nfs/dbraw/zinc/18/21/79/557182179.db2.gz SAMHGTFKYAJDOT-IBGZPJMESA-N 0 0 440.569 3.397 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)c1nc2ccccc2[nH]1 ZINC000218233261 557183774 /nfs/dbraw/zinc/18/37/74/557183774.db2.gz NATJFQFPHWOFRI-QKKBWIMNSA-N 0 0 449.511 3.194 50 70 IGIARN O=C(NCCCCCc1nnc2ccccn21)[C@@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1 ZINC000218281507 557187515 /nfs/dbraw/zinc/18/75/15/557187515.db2.gz CCPPRRSVIYCZKA-CQSZACIVSA-N 0 0 445.445 3.029 50 70 IGIARN COc1ccccc1[C@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O ZINC000218525351 568759871 /nfs/dbraw/zinc/75/98/71/568759871.db2.gz ITSNMMWYENNCID-SFHVURJKSA-N 0 0 435.524 3.413 50 70 IGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCC1CCOCC1 ZINC000217637281 569450665 /nfs/dbraw/zinc/45/06/65/569450665.db2.gz FFIXPQNQUJMUFL-QHCPKHFHSA-N 0 0 433.508 3.124 50 70 IGIARN Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cc1 ZINC000217853494 569454184 /nfs/dbraw/zinc/45/41/84/569454184.db2.gz XCJGVKDIISCFKG-HCWHUNCVSA-N 0 0 425.514 3.090 50 70 IGIARN Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000217874893 569454389 /nfs/dbraw/zinc/45/43/89/569454389.db2.gz HIZRIYKXJCJFDT-UHFFFAOYSA-N 0 0 425.482 3.346 50 70 IGIARN O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1 ZINC000217476217 569446802 /nfs/dbraw/zinc/44/68/02/569446802.db2.gz MBVNGYYYTNUXFT-LJQANCHMSA-N 0 0 435.415 3.248 50 70 IGIARN C[C@@H](CCc1ccccc1)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000217641822 569450747 /nfs/dbraw/zinc/45/07/47/569450747.db2.gz YCNIMDFZAXFRJE-JTSKRJEESA-N 0 0 432.524 3.158 50 70 IGIARN CCn1cc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c(=O)c2ccc(C)nc21 ZINC000217662001 569451156 /nfs/dbraw/zinc/45/11/56/569451156.db2.gz UURWGGYFXHTRFP-GOSISDBHSA-N 0 0 428.496 3.071 50 70 IGIARN O=C1CCC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000217717943 569452143 /nfs/dbraw/zinc/45/21/43/569452143.db2.gz FXJIPSFWXZXJQI-UHFFFAOYSA-N 0 0 439.320 3.182 50 70 IGIARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(C)c1 ZINC000217824184 569453784 /nfs/dbraw/zinc/45/37/84/569453784.db2.gz FYEYVBJBAJULMK-HNNXBMFYSA-N 0 0 432.546 3.247 50 70 IGIARN Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cc1 ZINC000217853426 569454220 /nfs/dbraw/zinc/45/42/20/569454220.db2.gz XCJGVKDIISCFKG-RXNMKEHESA-N 0 0 425.514 3.090 50 70 IGIARN CC(C)n1c(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)nc2ccccc21 ZINC000217813312 557174249 /nfs/dbraw/zinc/17/42/49/557174249.db2.gz CQPDWWKQRXSCNI-MDKPJZGXSA-N 0 0 429.590 3.002 50 70 IGIARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218279288 568741337 /nfs/dbraw/zinc/74/13/37/568741337.db2.gz BWHOMEYXCXRNHD-IRXDYDNUSA-N 0 0 428.489 3.061 50 70 IGIARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218279174 568741460 /nfs/dbraw/zinc/74/14/60/568741460.db2.gz BWHOMEYXCXRNHD-SJORKVTESA-N 0 0 428.489 3.061 50 70 IGIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3CCCC3)[C@@H]21 ZINC000217634692 569450674 /nfs/dbraw/zinc/45/06/74/569450674.db2.gz BSLZUWKJFOEFIS-HSZRJFAPSA-N 0 0 449.507 3.221 50 70 IGIARN COc1cc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC(C)=O ZINC000218094322 569456293 /nfs/dbraw/zinc/45/62/93/569456293.db2.gz SMSIHMTUPXOQJH-CYBMUJFWSA-N 0 0 432.425 3.096 50 70 IGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000218232725 557183785 /nfs/dbraw/zinc/18/37/85/557183785.db2.gz URQLHHFZAASBFY-QGZVFWFLSA-N 0 0 435.436 3.003 50 70 IGIARN CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccc(OC)cc2)C1=O)c1nc2ccccc2[nH]1 ZINC000218454818 557200486 /nfs/dbraw/zinc/20/04/86/557200486.db2.gz VNXLDEXLSCWKGS-JBYOLUDKSA-N 0 0 449.511 3.290 50 70 IGIARN CCn1cc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)nc1C ZINC000217646167 569450752 /nfs/dbraw/zinc/45/07/52/569450752.db2.gz DEGDTDMNASODKC-INIZCTEOSA-N 0 0 446.392 3.419 50 70 IGIARN COc1cccc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3nn(C)c4c3CCC4)CC2=O)c1 ZINC000217903834 569454806 /nfs/dbraw/zinc/45/48/06/569454806.db2.gz PZRRPKATJYSBNE-KRWDZBQOSA-N 0 0 448.523 3.092 50 70 IGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000217858651 557174385 /nfs/dbraw/zinc/17/43/85/557174385.db2.gz ZZXAETBUVHFNGJ-INIZCTEOSA-N 0 0 435.480 3.354 50 70 IGIARN COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCC(C)(C)O4)[nH][nH]c2=O)cc1 ZINC000218562016 557207509 /nfs/dbraw/zinc/20/75/09/557207509.db2.gz MLLVVILXKDTPHK-LJQANCHMSA-N 0 0 435.524 3.413 50 70 IGIARN COC(=O)[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000217604773 569450049 /nfs/dbraw/zinc/45/00/49/569450049.db2.gz ORLWOMZGAFEECY-SJLPKXTDSA-N 0 0 443.443 3.323 50 70 IGIARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217726098 569452265 /nfs/dbraw/zinc/45/22/65/569452265.db2.gz ZCARHICXNRNDAU-HUUCEWRRSA-N 0 0 425.872 3.079 50 70 IGIARN COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217741470 569452450 /nfs/dbraw/zinc/45/24/50/569452450.db2.gz UYMKDCJWLRYZDK-XMMPIXPASA-N 0 0 441.487 3.169 50 70 IGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000218082682 569456229 /nfs/dbraw/zinc/45/62/29/569456229.db2.gz UGPPWDWVFPZPIS-LJQANCHMSA-N 0 0 433.460 3.317 50 70 IGIARN COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218360847 569457081 /nfs/dbraw/zinc/45/70/81/569457081.db2.gz WWQJCOWKOFBPAG-AWEZNQCLSA-N 0 0 425.403 3.444 50 70 IGIARN